Gaussian 16 GINC-BELVIS5 PAULAPLA Optimization cyproconazole_RR CONF12 gas EM64L-G16RevC.01 3-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 38 38 77 77 556 (5D, 7F) 6-311+G(d,p) 108 108 C1[X(C15H18ClN3O)] C1[X(C15H18ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 273.6329999999998 0 1 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2507927/Gau-23538.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2507927/" chk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RR/gas/CONF12/opt- #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization cyproconazole_RR CONF12 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 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7276 1.3981 0.9702 1.337 1.4431 1.3366 1.3132 1.3101 1.3441 1.5 1.4953 1.5194 1.0844 1.4966 1.0819 1.0823 1.0822 1.0812 1.5531 1.5261 1.0973 1.5478 1.5261 1.0889 1.0899 1.0891 1.0898 1.0902 1.3933 1.3884 1.3844 1.084 1.3869 1.0804 1.3857 1.0812 1.3834 1.0813 1.0789 1.0784 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 108.6729 120.2313 109.293 130.3239 102.9971 102.776 123.6782 113.6733 123.0222 114.2808 112.6287 119.5646 117.5357 117.6972 118.7272 113.4757 117.8145 118.4591 118.8558 117.8843 113.6635 110.2954 113.5255 106.3589 112.301 106.6917 107.2045 107.3198 109.3824 111.8258 110.0255 109.8834 108.3982 112.2762 112.1901 110.3325 107.2612 108.2975 106.2077 111.4531 107.4897 108.3937 111.5431 110.1405 107.6738 120.9973 121.0083 117.9832 121.5637 120.5853 117.8429 121.2124 119.7717 119.0071 119.2357 120.4729 120.2913 119.639 120.2116 120.149 110.3984 123.1239 126.4775 119.701 119.9334 120.3651 114.5293 121.8863 123.5838 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 36 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 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 16 162.6255 43.2873 -76.7997 -176.3749 -0.4054 57.7185 -179.7691 -63.6504 -117.2896 5.2228 121.3414 0.7844 -179.3448 176.2157 -3.9135 -0.0921 -179.8214 -0.7793 179.3553 0.5456 -179.7303 5.0102 -139.3056 147.8532 3.5374 138.1051 -5.2286 -4.7038 -148.0375 -150.2713 -23.2389 94.4064 -76.7983 50.2341 167.8794 66.5493 -166.4184 -48.7731 -142.7949 1.3029 0.4102 144.508 71.2939 -169.7811 -50.5034 -56.4161 62.5089 -178.2134 -173.5934 -54.6684 64.6093 -60.847 178.2624 60.0577 65.1288 -55.7618 -173.9665 -178.0003 61.1091 -57.0956 -69.277 170.5712 51.07 173.0693 52.9175 -66.5837 52.8889 -67.2629 173.2359 176.3317 -4.9068 -64.599 114.1625 55.67 -125.5685 178.9997 0.0513 0.2017 -178.7466 -179.1149 -0.2078 -0.317 178.59 0.0631 -179.8112 179.0393 -0.8351 0.167 179.965 -178.7483 1.0497 -179.9768 -0.2205 -0.1022 179.6541 179.8638 0.1081 0.0657 -179.69 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 576 A 556 A 881 576 1730.5897603107 38 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= 556 RedAO= T EigKep= 1.02D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 6.80D-07 NBFU= 554 Berny optimization. local minimum Step number 17 out of a maximum of 218 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00024 0.00232 0.00369 0.00524 0.00602 0.00799 0.01553 0.01707 0.01934 0.01960 0.02129 0.02249 0.02263 0.02271 0.02284 0.02287 0.02292 0.02296 0.02350 0.02626 0.02631 0.03116 0.03181 0.03265 0.03535 0.03716 0.04101 0.04634 0.05031 0.05078 0.05354 0.05495 0.05565 0.05600 0.05785 0.06957 0.08623 0.09536 0.09656 0.10404 0.10655 0.12722 0.14632 0.15355 0.15645 0.15915 0.15999 0.16000 0.16005 0.16007 0.16017 0.16029 0.16062 0.16736 0.16976 0.17415 0.18750 0.19498 0.21359 0.22013 0.22538 0.23282 0.23631 0.24473 0.25006 0.25730 0.26255 0.27493 0.27900 0.28778 0.29232 0.29759 0.30095 0.30868 0.32616 0.33999 0.34172 0.34803 0.34900 0.34907 0.35033 0.35099 0.35538 0.35642 0.35705 0.35737 0.35760 0.35836 0.35845 0.35893 0.35980 0.36035 0.36281 0.36675 0.43177 0.43310 0.43855 0.44497 0.47371 0.47873 0.48237 0.49739 0.52485 0.53815 0.53965 0.56986 0.62397 0.66183 -9.52724628e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 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 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 3.32463 2.68670 1.83747 2.57034 2.75272 2.54764 2.50434 2.49902 2.56489 2.85725 2.84604 2.88924 2.04958 2.85397 2.04608 2.04815 2.04763 2.04467 2.95637 2.90003 2.07451 2.94005 2.90167 2.06081 2.06329 2.06166 2.05977 2.05783 2.64527 2.63439 2.62921 2.04969 2.63394 2.04388 2.62999 2.04562 2.62555 2.04575 2.03860 2.03917 1.89031 2.09710 1.90500 2.27587 1.79379 1.79568 2.16467 1.98854 2.14352 1.99567 1.96008 2.08264 2.04893 2.05117 2.06976 1.98841 2.05723 2.05193 2.07499 2.05716 1.99239 1.91737 1.98976 1.85930 1.95387 1.85655 1.87919 1.86621 1.89536 1.94807 1.92790 1.92925 1.89692 1.94074 1.95029 1.92731 1.88069 1.90076 1.86138 1.94643 1.87538 1.88505 1.94356 1.90994 1.90193 2.10847 2.10985 2.06485 2.11836 2.10167 2.06308 2.11438 2.07957 2.08914 2.07713 2.10960 2.09646 2.08240 2.10569 2.09509 1.92883 2.14499 2.20937 2.08479 2.08917 2.10921 2.00134 2.12499 2.15684 2.80733 0.72684 -1.36400 -3.05383 -0.01072 1.05848 -3.09017 -1.04078 -1.96084 0.17370 2.22309 0.01670 -3.12444 3.04642 -0.09472 0.00164 -3.13482 -0.01459 3.12653 0.00800 -3.13883 0.08412 -2.43958 2.58341 0.05972 2.40059 -0.09461 -0.07679 -2.57198 -2.64125 -0.43212 1.63792 -1.35561 0.85352 2.92356 1.13364 -2.94042 -0.87038 -2.49562 0.03730 0.01054 2.54346 1.22228 -3.00159 -0.90148 -1.00694 1.05238 -3.13070 -3.05513 -0.99581 1.10429 -1.13252 3.04840 0.97959 1.05744 -1.04483 -3.11364 3.09201 0.98974 -1.07907 -1.20122 2.98715 0.88335 3.04060 0.94579 -1.15802 0.92123 -1.17358 3.00580 3.09640 -0.05035 -1.11206 2.02437 1.00648 -2.14027 -3.14099 0.01371 0.00563 -3.12286 3.13880 -0.01772 -0.00783 3.11884 0.00118 -3.14038 3.12995 -0.01161 0.00320 -3.14036 -3.12339 0.01623 3.13816 -0.00602 -0.00346 3.13554 -3.14030 0.00388 0.00324 -3.13576 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00001 0.00001 0.00002 0.00001 -0.00002 -0.00002 -0.00000 -0.00000 0.00001 0.00001 -0.00003 -0.00002 0.00003 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00003 0.00001 -0.00003 -0.00001 0.00001 -0.00000 0.00004 0.00006 0.00004 0.00015 -0.00000 0.00011 -0.00005 -0.00010 0.00006 -0.00020 -0.00004 0.00019 0.00003 -0.00003 -0.00004 0.00001 0.00000 -0.00002 -0.00002 0.00001 0.00001 0.00032 0.00032 0.00033 0.00031 0.00031 0.00032 0.00027 0.00028 0.00029 0.00001 0.00003 0.00000 0.00002 0.00009 0.00009 0.00010 0.00007 0.00007 0.00008 0.00010 0.00009 0.00010 0.00025 0.00025 0.00025 0.00026 0.00026 0.00026 0.00023 0.00023 0.00023 -0.00004 -0.00006 -0.00003 -0.00003 -0.00005 -0.00002 -0.00001 -0.00003 -0.00000 0.00013 0.00008 0.00012 0.00006 0.00010 0.00004 -0.00003 -0.00003 0.00002 0.00003 0.00003 0.00004 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00005 -0.00002 -0.00000 -0.00000 -0.00001 0.00002 0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00004 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00005 0.00000 0.00000 -0.00000 -0.00002 -0.00003 -0.00003 0.00001 -0.00002 0.00003 0.00001 0.00006 -0.00004 0.00006 -0.00003 -0.00003 0.00005 -0.00004 0.00004 -0.00002 -0.00001 0.00003 -0.00004 -0.00000 0.00001 -0.00002 0.00002 0.00002 -0.00003 -0.00002 0.00001 -0.00001 0.00004 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00002 -0.00002 -0.00001 0.00002 -0.00002 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00002 0.00000 -0.00002 0.00001 0.00001 -0.00002 0.00003 -0.00001 -0.00002 0.00014 0.00014 0.00012 -0.00007 -0.00006 -0.00013 -0.00010 -0.00011 -0.00014 -0.00012 -0.00013 -0.00006 0.00002 -0.00004 0.00003 0.00016 -0.00003 0.00015 0.00007 -0.00020 -0.00000 -0.00007 -0.00003 -0.00008 -0.00004 0.00000 0.00001 -0.00003 -0.00001 0.00009 0.00010 0.00010 0.00007 0.00008 0.00008 0.00010 0.00011 0.00011 0.00009 0.00009 0.00008 0.00008 -0.00011 -0.00013 -0.00008 -0.00009 -0.00011 -0.00006 -0.00011 -0.00013 -0.00008 -0.00003 -0.00003 -0.00005 -0.00001 -0.00001 -0.00003 -0.00001 -0.00001 -0.00003 -0.00006 -0.00008 -0.00007 -0.00007 -0.00009 -0.00008 -0.00008 -0.00010 -0.00009 0.00008 -0.00004 0.00008 -0.00005 0.00010 -0.00002 -0.00012 -0.00011 -0.00001 0.00001 0.00012 0.00014 0.00000 0.00002 -0.00000 -0.00001 -0.00001 -0.00002 0.00001 -0.00000 -0.00001 -0.00002 0.00002 0.00001 0.00002 0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00004 -0.00000 -0.00000 0.00000 -0.00001 0.00002 0.00001 0.00001 0.00001 -0.00000 0.00002 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00002 -0.00000 -0.00000 -0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00003 -0.00000 0.00000 -0.00000 -0.00002 -0.00002 -0.00001 0.00002 -0.00004 0.00003 0.00001 0.00006 -0.00005 0.00006 -0.00003 -0.00003 0.00005 -0.00006 0.00004 -0.00002 0.00000 0.00004 -0.00002 0.00001 -0.00000 -0.00004 0.00001 0.00001 -0.00002 -0.00002 -0.00002 -0.00004 0.00007 0.00001 0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00000 0.00001 0.00004 -0.00003 -0.00003 0.00002 -0.00002 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00002 -0.00001 -0.00001 0.00013 0.00016 0.00009 -0.00007 -0.00009 -0.00014 -0.00009 -0.00012 -0.00011 -0.00006 -0.00008 0.00010 0.00002 0.00007 -0.00001 0.00006 0.00003 -0.00005 0.00003 -0.00001 0.00003 -0.00010 -0.00007 -0.00007 -0.00004 -0.00002 -0.00000 -0.00002 0.00000 0.00041 0.00042 0.00043 0.00038 0.00039 0.00040 0.00038 0.00039 0.00040 0.00009 0.00012 0.00008 0.00010 -0.00002 -0.00004 0.00001 -0.00002 -0.00004 0.00001 -0.00001 -0.00004 0.00002 0.00022 0.00022 0.00020 0.00025 0.00025 0.00023 0.00021 0.00022 0.00020 -0.00011 -0.00014 -0.00010 -0.00010 -0.00013 -0.00010 -0.00009 -0.00012 -0.00009 0.00021 0.00003 0.00019 0.00002 0.00020 0.00002 -0.00016 -0.00014 0.00002 0.00004 0.00015 0.00018 -0.00002 0.00001 -0.00001 -0.00001 -0.00003 -0.00003 0.00002 0.00001 -0.00001 -0.00002 0.00002 0.00000 0.00002 0.00001 -0.00002 -0.00001 -0.00002 -0.00000 3.32459 2.68669 1.83747 2.57034 2.75270 2.54766 2.50436 2.49903 2.56490 2.85725 2.84606 2.88924 2.04958 2.85397 2.04608 2.04816 2.04763 2.04468 2.95639 2.90003 2.07451 2.94005 2.90166 2.06081 2.06329 2.06167 2.05976 2.05784 2.64527 2.63439 2.62920 2.04969 2.63393 2.04389 2.63000 2.04563 2.62555 2.04575 2.03859 2.03917 1.89028 2.09710 1.90500 2.27587 1.79378 1.79565 2.16466 1.98856 2.14348 1.99570 1.96009 2.08270 2.04889 2.05123 2.06972 1.98839 2.05728 2.05187 2.07503 2.05714 1.99239 1.91740 1.98974 1.85931 1.95387 1.85651 1.87920 1.86622 1.89534 1.94805 1.92789 1.92922 1.89699 1.94075 1.95030 1.92730 1.88067 1.90075 1.86139 1.94644 1.87538 1.88506 1.94360 1.90991 1.90190 2.10850 2.10983 2.06485 2.11836 2.10168 2.06308 2.11438 2.07957 2.08914 2.07714 2.10958 2.09646 2.08242 2.10567 2.09509 1.92884 2.14500 2.20935 2.08480 2.08919 2.10919 2.00136 2.12498 2.15683 2.80746 0.72699 -1.36391 -3.05389 -0.01081 1.05834 -3.09026 -1.04090 -1.96095 0.17364 2.22300 0.01680 -3.12442 3.04649 -0.09473 0.00170 -3.13479 -0.01464 3.12655 0.00799 -3.13880 0.08402 -2.43964 2.58334 0.05968 2.40056 -0.09461 -0.07681 -2.57198 -2.64084 -0.43170 1.63835 -1.35523 0.85391 2.92395 1.13402 -2.94003 -0.86998 -2.49553 0.03742 0.01062 2.54356 1.22226 -3.00163 -0.90147 -1.00696 1.05234 -3.13069 -3.05514 -0.99585 1.10431 -1.13230 3.04863 0.97979 1.05769 -1.04457 -3.11341 3.09222 0.98996 -1.07887 -1.20133 2.98701 0.88324 3.04050 0.94566 -1.15811 0.92114 -1.17371 3.00571 3.09661 -0.05032 -1.11187 2.02439 1.00668 -2.14025 -3.14115 0.01357 0.00565 -3.12282 3.13895 -0.01754 -0.00785 3.11885 0.00117 -3.14039 3.12992 -0.01164 0.00321 -3.14035 -3.12341 0.01621 3.13818 -0.00602 -0.00344 3.13555 -3.14033 0.00387 0.00322 -3.13576 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000004 0.001211 0.000245 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.333840e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7593 1.4217 0.9723 1.3602 1.4567 1.3482 1.3252 1.3224 1.3573 1.512 1.5061 1.5289 1.0846 1.5103 1.0827 1.0838 1.0836 1.082 1.5644 1.5346 1.0978 1.5558 1.5355 1.0905 1.0918 1.091 1.09 1.089 1.3998 1.3941 1.3913 1.0846 1.3938 1.0816 1.3917 1.0825 1.3894 1.0826 1.0788 1.0791 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 108.3065 120.1553 109.1484 130.3979 102.7768 102.8846 124.0266 113.9351 122.8149 114.3436 112.3046 119.3263 117.3952 117.5235 118.5884 113.9276 117.8706 117.5668 118.8883 117.8667 114.1553 109.857 114.005 106.5301 111.9484 106.3723 107.6696 106.9259 108.5962 111.6162 110.4607 110.538 108.6855 111.1962 111.7431 110.4267 107.7555 108.9055 106.6491 111.5224 107.4516 108.0054 111.3579 109.4314 108.9725 120.8066 120.8857 118.3071 121.3731 120.4169 118.2059 121.1452 119.1505 119.6989 119.0107 120.871 120.1183 119.313 120.6471 120.0398 110.5137 122.8989 126.5875 119.4498 119.7009 120.8491 114.6683 121.753 123.578 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 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 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 160.8482 41.6447 -78.1516 -174.9715 -0.6142 60.6464 -177.0534 -59.6322 -112.348 9.9522 127.3734 0.9567 -179.0172 174.5471 -5.4268 0.0938 -179.612 -0.836 179.1367 0.4584 -179.8419 4.8197 -139.7775 148.0187 3.4215 137.5434 -5.4205 -4.3999 -147.3639 -151.3322 -24.7585 93.8458 -77.6705 48.9032 167.5075 64.9528 -168.4735 -49.8692 -142.9884 2.1371 0.6039 145.7295 70.0314 -171.9783 -51.6512 -57.6933 60.297 -179.3759 -175.0461 -57.0558 63.2713 -64.8884 174.6607 56.1266 60.5868 -59.8641 -178.3982 177.1589 56.7081 -61.8261 -68.8248 171.1511 50.6121 174.2137 54.1896 -66.3494 52.7828 -67.2413 172.2197 177.4107 -2.885 -63.7165 115.9878 57.6672 -122.6286 -179.9656 0.7853 0.3227 -178.9264 179.8397 -1.0152 -0.4488 178.6963 0.0676 -179.9306 179.3328 -0.6654 0.1831 -179.9294 -178.9573 0.9302 179.8034 -0.345 -0.1985 179.6532 -179.9262 0.2225 0.1856 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0461475752 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.693578 0.000000 6.448800 2.956166 0.000000 6.794201 2.818665 1.337038 0.000000 6.411693 4.785679 2.173375 2.235323 0.000000 6.387684 2.970518 4.974430 5.422933 6.869165 0.000000 7.571727 4.102613 6.355528 6.748856 8.318290 1.500039 0.000000 7.073554 3.125070 5.751633 5.881244 7.600696 1.495270 1.496641 0.000000 6.718754 2.379009 3.823957 4.449918 5.879647 1.519396 2.662027 2.649643 0.000000 6.044173 1.398096 2.472197 2.971018 4.450047 2.521456 3.897413 3.333702 1.553107 0.000000 8.226916 2.860895 4.414035 4.923663 6.583385 2.547286 3.011641 3.154236 1.526106 2.557342 0.000000 6.706686 2.405522 1.443058 2.411013 3.584846 3.877782 5.170019 4.786394 2.540483 1.547765 3.049619 0.000000 4.518212 2.422831 2.844851 3.355426 4.259689 2.871316 4.366304 3.760558 2.520579 1.526088 3.890116 2.493094 0.000000 3.981308 3.720389 3.343096 4.193872 4.466225 3.495795 4.931255 4.678776 3.121904 2.541720 4.554338 3.011566 1.393307 0.000000 3.987129 2.765271 3.612191 3.663590 4.588942 3.459169 4.827858 3.892073 3.555603 2.537625 4.854846 3.613589 1.388370 2.384154 0.000000 2.697600 4.845629 4.371746 5.097462 4.966033 4.458379 5.807379 5.531654 4.392919 3.823751 5.874512 4.313902 2.424305 1.384410 2.769805 0.000000 2.698859 4.151079 4.580117 4.665133 5.074025 4.429781 5.720234 4.879687 4.713436 3.819881 6.112934 4.755756 2.418016 2.761207 1.386917 2.402523 0.000000 6.204180 4.205530 1.336614 2.180625 1.310096 5.953431 7.390723 6.853523 4.852632 3.566498 5.570374 2.522945 3.496463 3.554419 4.191398 4.282716 4.825412 0.000000 1.727625 5.009625 4.894331 5.290562 5.244055 4.851463 6.155077 5.612095 5.048877 4.316569 6.539886 5.033274 2.790587 2.389673 2.394824 1.385676 1.383438 4.860139 0.000000 6.736824 4.038495 2.074091 1.313177 1.344123 6.527766 7.912672 7.020059 5.609732 4.095321 6.189703 3.455517 4.118800 4.731907 4.240883 5.366761 4.932693 2.074087 5.448880 0.000000 5.449893 3.497803 5.130844 5.647805 6.819169 1.084381 2.175371 2.178352 2.179978 2.844390 3.487611 4.191553 2.596025 2.944610 3.075849 3.658181 3.765064 5.925714 4.013067 6.609393 0.000000 8.537459 4.432732 6.642883 7.059179 8.715393 2.241010 1.081904 2.217132 2.896089 4.276619 2.685395 5.351243 5.031448 5.598174 5.633551 6.602477 6.634108 7.737837 7.062845 8.289982 3.090579 0.000000 7.553922 5.032394 7.185564 7.622902 9.066539 2.218669 1.082276 2.228972 3.527305 4.736373 4.019828 6.032483 4.943817 5.327635 5.309991 6.004828 5.990161 8.132268 6.306818 8.729191 2.436753 1.809622 0.000000 6.691792 3.654789 6.267305 6.289782 7.930649 2.217459 2.230342 1.082204 3.514754 3.943390 4.202052 5.472756 4.017253 4.932693 3.794819 5.552703 4.563900 7.295247 5.386479 7.324113 2.447648 3.101900 2.539114 0.000000 7.777671 2.778087 5.626318 5.592478 7.519015 2.223906 2.218705 1.081236 2.858651 3.365597 2.931290 4.695091 4.113931 5.204922 4.237107 6.177550 5.381694 6.839562 6.246411 6.793887 3.083660 2.505284 3.107107 1.810946 0.000000 6.593848 3.300475 3.993707 4.887836 5.959591 2.109909 3.153670 3.499793 1.097275 2.143621 2.126881 2.683901 2.751347 2.828245 3.988210 4.079829 4.961004 4.799059 4.992874 5.934884 2.400904 3.357957 3.812512 4.298335 3.872463 0.000000 8.618770 2.620793 4.715957 4.933970 6.844291 2.840306 3.118200 2.906112 2.185102 2.873024 1.088930 3.520630 4.251827 5.165257 4.968350 6.449050 6.292098 5.982338 6.926312 6.242507 3.877553 2.760873 4.195155 3.927740 2.328850 3.057509 0.000000 8.639340 3.185897 4.042983 4.643874 6.195793 3.498960 4.082122 4.192583 2.184783 2.799588 1.089899 2.693247 4.222899 4.786899 5.305910 6.162435 6.577338 5.152626 6.935200 5.874838 4.331617 3.711901 5.062489 5.214366 3.896002 2.492581 1.754416 0.000000 8.794931 3.883684 5.401949 5.991588 7.565351 2.805103 2.790936 3.411218 2.161047 3.499399 1.089084 3.990566 4.676717 5.165039 5.659553 6.428928 6.836665 6.488570 7.163779 7.242544 3.732891 2.164827 3.681300 4.481062 3.324879 2.438728 1.765368 1.742587 0.000000 6.663727 3.349915 2.053128 3.284557 3.896475 4.108215 5.375080 5.261255 2.742695 2.195900 3.335404 1.089795 2.809402 2.805757 4.109843 4.086476 5.076893 2.637260 5.061628 4.114682 4.291305 5.536130 6.138034 5.972481 5.329040 2.428531 4.067271 2.906068 4.071735 0.000000 7.773960 2.605556 2.064885 2.719677 4.151476 4.264670 5.357895 5.013311 2.831386 2.178547 2.752273 1.090186 3.445472 4.058264 4.480903 5.386452 5.713501 3.199734 6.086189 3.858981 4.802270 5.333823 6.316031 5.818768 4.719766 3.101417 3.105391 2.108642 3.704613 1.759987 0.000000 6.766279 0.970202 2.506769 2.003898 4.102829 3.900132 5.069162 4.038814 3.218384 1.940239 3.641302 2.441678 2.727224 4.003959 2.900728 5.049461 4.220163 3.732031 5.128224 3.198765 4.322328 5.393915 5.983911 4.462031 3.640986 4.023325 3.385150 3.746683 4.707775 3.494846 2.628454 0.000000 4.817305 4.112446 3.424757 4.517966 4.698566 3.680401 5.024002 5.041061 3.023581 2.756409 4.311403 2.850577 2.157129 1.083959 3.376731 2.119742 3.844722 3.580422 3.360071 5.108076 3.266949 5.534487 5.439780 5.472424 5.541716 2.391277 5.102650 4.397813 4.810877 2.273382 3.815815 4.446797 0.000000 4.830451 2.389084 3.876822 3.587666 4.903505 3.606187 4.829723 3.635095 3.775007 2.736189 4.852199 3.899886 2.141151 3.368930 1.080418 3.849987 2.131688 4.651661 3.368144 4.259348 3.468199 5.587519 5.399907 3.469807 3.767972 4.452964 4.725049 5.349738 5.711653 4.613697 4.576227 2.453797 4.280300 0.000000 2.844136 5.814963 5.064892 5.921815 5.501314 5.205145 6.473422 6.384023 5.102017 4.686788 6.550421 4.993523 3.402486 2.145658 3.851022 1.081226 3.382919 4.777810 2.144889 6.100678 4.364037 7.233756 6.575250 6.432292 7.083636 4.589892 7.233078 6.778075 7.005565 4.558533 6.054468 6.027291 2.439179 4.931169 0.000000 2.844694 4.764775 5.383231 5.249961 5.674039 5.162629 6.335007 5.356118 5.589067 4.682152 6.929055 5.663667 3.395193 3.842508 2.145233 3.382397 1.081305 5.623851 2.141442 5.409627 4.523872 7.286340 6.552480 4.856090 5.815490 5.937793 6.984017 7.440925 7.663139 6.077967 6.567359 4.759809 4.925983 2.455022 4.276023 0.000000 6.173440 4.869646 2.127597 3.208826 2.135665 6.155259 7.578363 7.233206 5.028746 3.969083 5.799127 2.867563 3.795425 3.455051 4.669853 4.103380 5.172431 1.078917 4.921298 3.130840 6.041524 7.913044 8.248183 7.709548 7.331305 4.734670 6.379668 5.344710 6.601438 2.542174 3.590002 4.555393 3.230416 5.302922 4.367952 6.060541 0.000000 7.201970 4.635279 3.112794 2.093701 2.138532 7.276915 8.622759 7.603500 6.461153 4.929572 6.995949 4.436241 4.919975 5.627568 4.791437 6.153751 5.390342 3.116064 6.038475 1.078429 7.367675 9.019202 9.442190 7.819981 7.308171 6.881135 6.919893 6.719903 8.071002 5.164493 4.751770 3.712693 6.099417 4.639725 6.920328 5.675168 4.143426 0.000000 C15H18ClN3O 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3460486 0.2793726 0.1781768 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.746255 0.000000 6.476245 2.966953 0.000000 6.877772 2.845140 1.360164 0.000000 6.346475 4.784999 2.194505 2.258302 0.000000 6.501611 2.969929 5.010472 5.477762 6.894173 0.000000 7.703342 4.122292 6.404874 6.811703 8.358271 1.511990 0.000000 7.226294 3.116980 5.777433 5.918343 7.613343 1.506057 1.510257 0.000000 6.799331 2.400819 3.858914 4.506028 5.916276 1.528920 2.685308 2.664870 0.000000 6.089924 1.421739 2.491046 3.026076 4.462422 2.531803 3.926598 3.353507 1.564444 0.000000 8.310616 2.884297 4.423634 4.941396 6.609952 2.569386 3.056297 3.170487 1.534632 2.568525 0.000000 6.748403 2.419226 1.456676 2.441835 3.618536 3.904916 5.211296 4.805570 2.563142 1.555810 3.047502 0.000000 4.554429 2.446944 2.869700 3.433686 4.251355 2.906373 4.413755 3.816164 2.547698 1.535499 3.918135 2.511775 0.000000 4.018591 3.751620 3.398763 4.300219 4.499063 3.532526 4.973697 4.737078 3.143070 2.553206 4.575224 3.047846 1.399817 0.000000 4.023798 2.778410 3.597515 3.700630 4.510593 3.519518 4.906260 3.982705 3.599072 2.549273 4.900636 3.614533 1.394060 2.398670 0.000000 2.727599 4.878972 4.413526 5.196248 4.966749 4.519744 5.876043 5.620232 4.430151 3.841225 5.911734 4.346143 2.433745 1.391317 2.785496 0.000000 2.729067 4.170790 4.567802 4.705957 4.974026 4.510596 5.820348 4.996872 4.767937 3.838206 6.170322 4.763306 2.428184 2.779040 1.393819 2.418752 0.000000 6.138080 4.200920 1.348155 2.206929 1.322426 5.972336 7.426940 6.864223 4.878698 3.563109 5.589909 2.546548 3.467018 3.560698 4.106669 4.258849 4.725832 0.000000 1.759320 5.032544 4.900739 5.355628 5.177455 4.926881 6.245449 5.721785 5.094660 4.330610 6.587311 5.047346 2.795113 2.398088 2.401935 1.391733 1.389379 4.781857 0.000000 6.765141 4.052594 2.098474 1.325242 1.357281 6.571383 7.966877 7.047138 5.660747 4.134485 6.215059 3.491165 4.164463 4.816513 4.228830 5.435913 4.915450 2.095592 5.467199 0.000000 5.557710 3.472516 5.158786 5.696357 6.827050 1.084590 2.189306 2.188878 2.184639 2.834145 3.508202 4.213381 2.605946 2.973901 3.106166 3.717252 3.825379 5.929171 4.080256 6.641160 0.000000 8.659355 4.468870 6.694670 7.122759 8.766291 2.249905 1.082738 2.228116 2.917260 4.311211 2.735925 5.393311 5.078972 5.633038 5.712908 6.660573 6.730776 7.783482 7.144558 8.350328 3.102132 0.000000 7.682217 5.040981 7.234202 7.684352 9.099336 2.229097 1.083834 2.241004 3.550916 4.758460 4.070875 6.075597 4.979883 5.363380 5.374714 6.068368 6.080270 8.163906 6.391855 8.778292 2.451577 1.816295 0.000000 6.865384 3.624735 6.283735 6.315658 7.924222 2.228914 2.244131 1.083559 3.529439 3.954568 4.216543 5.486211 4.069536 4.997903 3.884504 5.654725 4.692099 7.290729 5.512485 7.334828 2.460991 3.114228 2.552378 0.000000 7.924616 2.770561 5.630368 5.606947 7.518919 2.224223 2.231408 1.081994 2.855934 3.377456 2.919396 4.689605 4.165474 5.252812 4.329894 6.255524 5.498197 6.834972 6.349121 6.804778 3.084507 2.516601 3.122425 1.817782 0.000000 6.656061 3.323844 4.043937 4.958907 6.013694 2.120805 3.174355 3.517478 1.097783 2.149609 2.140777 2.722086 2.763177 2.833576 4.014915 4.100665 4.997864 4.842284 5.021454 6.002197 2.414271 3.373034 3.837275 4.318883 3.870740 0.000000 8.679679 2.574836 4.630974 4.846439 6.772714 2.878608 3.221349 2.950802 2.180496 2.829980 1.090535 3.435140 4.240716 5.155033 4.978902 6.459406 6.319872 5.910424 6.946755 6.164515 3.901581 2.895515 4.302373 3.959616 2.345231 3.060977 0.000000 8.698017 3.267532 4.078411 4.703029 6.258196 3.515548 4.114919 4.222842 2.188297 2.833062 1.091843 2.707231 4.253036 4.789264 5.358033 6.174237 6.629755 5.197153 6.964074 5.943669 4.340579 3.746955 5.095693 5.243659 3.915025 2.474156 1.762840 0.000000 8.898150 3.885795 5.444629 6.024442 7.626591 2.800454 2.784402 3.369087 2.171174 3.516733 1.090981 4.026474 4.713225 5.210133 5.703610 6.491488 6.898675 6.551363 7.228004 7.287714 3.747889 2.151875 3.697898 4.444262 3.242715 2.487114 1.774960 1.750694 0.000000 6.705470 3.367355 2.064533 3.315454 3.933037 4.153413 5.433324 5.299215 2.772355 2.200863 3.338029 1.089981 2.824961 2.839432 4.113350 4.117245 5.086780 2.663361 5.076107 4.151768 4.339444 5.589099 6.203747 6.010055 5.335996 2.479571 4.000767 2.887531 4.132806 0.000000 7.810736 2.595767 2.070840 2.712473 4.196002 4.270238 5.379137 4.997983 2.841012 2.175689 2.735586 1.088956 3.455212 4.089935 4.470119 5.416166 5.710919 3.245060 6.094491 3.878922 4.805529 5.361452 6.342124 5.794211 4.674008 3.140070 2.985135 2.139599 3.729174 1.773603 0.000000 6.821976 0.972346 2.498313 2.012676 4.091588 3.906768 5.092876 4.040102 3.235177 1.958377 3.646053 2.436218 2.757863 4.043913 2.917205 5.090481 4.242453 3.714101 5.156252 3.201358 4.308515 5.428914 5.998626 4.445910 3.639207 4.043144 3.308365 3.810340 4.700578 3.491908 2.593668 0.000000 4.858018 4.141304 3.505739 4.635647 4.781329 3.694545 5.040373 5.072470 3.024782 2.762147 4.312175 2.900476 2.161793 1.084647 3.389565 2.130431 3.863423 3.640821 3.372302 5.219744 3.282426 5.540857 5.453764 5.512475 5.558807 2.379503 5.074638 4.372008 4.847225 2.329219 3.864131 4.484792 0.000000 4.875185 2.379614 3.831859 3.580730 4.797038 3.654443 4.904186 3.718443 3.807816 2.734766 4.889674 3.877790 2.140586 3.379262 1.081576 3.866953 2.146233 4.547578 3.381992 4.205494 3.480865 5.667529 5.459996 3.548344 3.862968 4.470640 4.727938 5.405882 5.736211 4.597619 4.537499 2.444552 4.286222 0.000000 2.862564 5.854061 5.124049 6.033708 5.530286 5.267772 6.540914 6.472002 5.141556 4.709599 6.590029 5.038676 3.416280 2.157114 3.867976 1.082497 3.397322 4.782222 2.149569 6.189994 4.429983 7.288594 6.640023 6.535509 7.158993 4.615716 7.248083 6.784132 7.078432 4.604699 6.100530 6.074159 2.459572 4.949407 0.000000 2.864644 4.786818 5.358498 5.272763 5.541859 5.254206 6.452419 5.491844 5.652113 4.705527 6.997942 5.668028 3.409477 3.861589 2.157078 3.397225 1.082562 5.505180 2.146676 5.363528 4.590550 7.402406 6.659640 5.006253 5.956379 5.981415 7.027053 7.507819 7.731362 6.084622 6.559972 4.782234 4.945910 2.481571 4.287170 0.000000 6.044136 4.854436 2.135692 3.234870 2.147843 6.158647 7.602186 7.231729 5.040981 3.944412 5.817830 2.886914 3.725180 3.407057 4.549377 4.015956 5.026549 1.078780 4.783395 3.152308 6.027049 7.949175 8.267195 7.692154 7.316128 4.764749 6.314797 5.378688 6.675977 2.569108 3.650740 4.528776 3.252846 5.174618 4.311763 5.898223 0.000000 7.253048 4.656687 3.138317 2.103767 2.150980 7.325334 8.679809 7.634788 6.516754 4.978052 7.022610 4.473139 4.981385 5.725798 4.801733 6.242142 5.396688 3.137815 6.080833 1.079083 7.404433 9.081861 9.493074 7.834630 7.325570 6.951313 6.843380 6.795112 8.109012 5.201998 4.766529 3.728383 6.218587 4.607995 7.026926 5.651257 4.165340 0.000000 C15H18ClN3O 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3468644 0.2719412 0.1757829 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= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1715.5772662949 38 38 38 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 -0.0457109886 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1718.9903462959 38 38 38 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 -0.0460287066 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1720.2685194750 38 38 38 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 -0.0462540642 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1717.4253797634 38 38 38 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 -0.0459773197 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1718.9725378128 38 38 38 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 -0.0460279379 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.0446506061 38 38 38 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 -0.0460358066 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.1263181997 38 38 38 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 -0.0460451102 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.1772634966 38 38 38 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 -0.0460576158 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.1851208558 38 38 38 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 -0.0460573559 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.2045631555 38 38 38 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 -0.0460548256 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.1817745509 38 38 38 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 -0.0460491761 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.1326292436 38 38 38 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 -0.0460404945 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1719.0603535381 38 38 38 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 -0.0460312329 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1718.9636517500 38 38 38 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 -0.0460199290 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1718.9141479935 38 38 38 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 -0.0460157742 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1718.8911430214 38 38 38 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 -0.0460139528 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= 556 RedAO= T EigKep= 1.12D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 7.20D-07 NBFU= 554 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= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1281.80528923351 -1281.36729809758 0.437991135936 -1282.33162742490 -0.964329327328 -1282.33781699209 -0.006189567192 -1282.35096133677 -0.013144344672 -1282.35153600992 -0.000574673157 -1282.35164116419 -0.000105154264 -1282.35164944664 -0.000008282448 -1282.35164996805 -0.000000521413 -1282.35165004148 -0.000000073428 -1282.35165004598 -0.000000004502 -1282.35165004675 -0.000000000767 -1282.35165004687 -0.000000000126 -1282.35165004687 0.000000000002 -1282.35165004675 0.000000000121 -1282.35165005 15 1.278290493042e+03 -6.467162001667e+03 2.175976245843e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830476003 LenY= 2830143651 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. 8.59648983e-01 -2.16416798e-02 -8.67274415e-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 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.013786471 -0.004466349 0.000440863 -0.006155802 0.000399449 -0.012535866 -0.005839941 -0.005129196 0.009045821 -0.010345776 -0.002983744 -0.016138918 0.012713411 0.009080766 0.001070232 0.005225020 0.000773324 0.003756966 -0.005937055 -0.007499387 0.004551022 0.000254080 0.000213513 -0.010214216 -0.001798428 -0.001255470 0.003454301 0.002830881 -0.001146994 0.009892698 -0.005077059 0.001622822 0.000855982 -0.006461110 -0.000157740 0.006217925 0.000643204 -0.000185460 -0.000482960 -0.002433332 0.000879114 0.005055231 -0.001807960 0.000368787 -0.004627004 0.001358871 -0.000220295 0.005247639 0.001683399 -0.000747011 -0.005256287 0.003334478 -0.001969884 0.016937991 -0.005910332 0.001970451 -0.000138479 0.006126193 0.008937382 -0.014054435 0.000404399 0.000494411 -0.000144310 -0.000547204 0.000395100 0.000074116 0.000449575 -0.001208419 0.000223729 0.000785704 -0.000563411 -0.000688781 0.000016160 0.001371765 0.000214435 0.000740679 0.000395899 0.000316313 0.000946174 0.000143911 -0.001651665 0.000300347 0.001342014 0.000448965 -0.000614305 -0.001299222 0.000842376 0.000751710 -0.000644359 0.000050611 0.000122515 -0.000647943 -0.001714547 0.000835943 0.001681117 -0.000583957 -0.000570156 0.000255939 0.000247407 -0.001496241 0.000584897 -0.000236940 0.000951656 -0.000247960 0.000700488 0.000960695 -0.000370930 -0.000674788 -0.000277863 -0.000394483 0.000110778 0.000050999 0.000227595 -0.000612736 0.016937991 0.004650540 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1282.35462040894 -1282.35462322210 -0.000002813161 -1282.35462323368 -0.000000011578 -1282.35462324966 -0.000000015978 -1282.35462325087 -0.000000001209 -1282.35462325144 -0.000000000569 -1282.35462325137 0.000000000069 -1282.35462325144 -0.000000000073 -1282.35462325 8 1.277726361880e+03 -6.443341283925e+03 2.164415169725e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830476003 LenY= 2830143651 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) PT119119S Sat Jul 3 23:48:42 2021 8.77765728e-01 -1.43668600e-02 -8.99512796e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1282.3546233 8.369E-9 6.3E-6 -5.0048934,-4.7949757,9.7998691,-3.2214054,-4.41425,0.6620757 C01 [X(C15H18Cl1N3O1)] -0.9009529 -0.1289254 0.8668705 -0.000016875 0.000004113 -0.000000828 0.000001672 -0.000005240 0.000008233 -0.000016918 0.000001943 -0.000006637 -0.000011359 -0.000010266 -0.000006362 0.000006149 0.000012032 0.000007783 0.000006001 -0.000002454 0.000003091 -0.000012168 0.000021398 -0.000001158 0.000010649 -0.000010821 -0.000001113 -0.000003646 -0.000005994 0.000005777 0.000004276 0.000009563 -0.000013001 0.000002607 0.000002458 -0.000000361 -0.000002358 -0.000001878 0.000003040 0.000005365 0.000005626 0.000004305 0.000004731 -0.000005480 -0.000001006 0.000001626 -0.000005846 -0.000000744 -0.000015108 0.000002379 -0.000006321 -0.000012467 0.000003204 0.000003983 0.000016877 -0.000004703 0.000003370 0.000025175 -0.000007203 -0.000000153 0.000004452 -0.000003180 0.000002231 -0.000001487 0.000000734 0.000002647 -0.000002337 -0.000009758 0.000003829 0.000002474 -0.000001064 0.000000365 -0.000004114 0.000002574 -0.000005564 -0.000002110 0.000001931 0.000000938 0.000005162 0.000001155 -0.000002741 0.000000924 0.000000476 0.000001419 0.000001326 0.000003089 -0.000001959 0.000000279 -0.000002325 0.000000857 -0.000000159 0.000002834 -0.000002539 -0.000002509 -0.000001344 -0.000000205 0.000002929 -0.000000389 0.000001210 0.000001553 -0.000001170 -0.000000068 -0.000000398 0.000002713 -0.000000425 0.000001038 0.000000448 0.000001126 -0.000000044 -0.000000215 -0.000001997 -0.000000348 0.000001656 -0.000003009 -0.000000862 -0.000000999 0.000001985 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS5 PAULAPLA Optimization cyproconazole_RR CONF12 gas EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization cyproconazole_RR CONF12 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 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 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 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/cyproconazole_RR/gas/CONF12/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7593 1.4217 0.9723 1.3602 1.4567 1.3482 1.3252 1.3224 1.3573 1.512 1.5061 1.5289 1.0846 1.5103 1.0827 1.0838 1.0836 1.082 1.5644 1.5346 1.0978 1.5558 1.5355 1.0905 1.0918 1.091 1.09 1.089 1.3998 1.3941 1.3913 1.0846 1.3938 1.0816 1.3917 1.0825 1.3894 1.0826 1.0788 1.0791 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 108.3065 120.1553 109.1484 130.3979 102.7768 102.8846 124.0266 113.9351 122.8149 114.3436 112.3046 119.3263 117.3952 117.5235 118.5884 113.9276 117.8706 117.5668 118.8883 117.8667 114.1553 109.857 114.005 106.5301 111.9484 106.3723 107.6696 106.9259 108.5962 111.6162 110.4607 110.538 108.6855 111.1962 111.7431 110.4267 107.7555 108.9055 106.6491 111.5224 107.4516 108.0054 111.3579 109.4314 108.9725 120.8066 120.8857 118.3071 121.3731 120.4169 118.2059 121.1452 119.1505 119.6989 119.0107 120.871 120.1183 119.313 120.6471 120.0398 110.5137 122.8989 126.5875 119.4498 119.7009 120.8491 114.6683 121.753 123.578 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 36 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 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 16 160.8482 41.6447 -78.1516 -174.9715 -0.6142 60.6464 -177.0534 -59.6322 -112.348 9.9522 127.3734 0.9567 -179.0172 174.5471 -5.4268 0.0938 -179.612 -0.836 179.1367 0.4584 -179.8419 4.8197 -139.7775 148.0187 3.4215 137.5434 -5.4205 -4.3999 -147.3639 -151.3322 -24.7585 93.8458 -77.6705 48.9032 167.5075 64.9528 -168.4735 -49.8692 -142.9884 2.1371 0.6039 145.7295 70.0314 -171.9783 -51.6512 -57.6933 60.297 -179.3759 -175.0461 -57.0558 63.2713 -64.8884 174.6607 56.1266 60.5868 -59.8641 -178.3982 177.1589 56.7081 -61.8261 -68.8248 171.1511 50.6121 174.2137 54.1896 -66.3494 52.7828 -67.2413 172.2197 177.4107 -2.885 -63.7165 115.9878 57.6672 -122.6286 -179.9656 0.7853 0.3227 -178.9264 179.8397 -1.0152 -0.4488 178.6963 0.0676 -179.9306 179.3328 -0.6654 0.1831 -179.9294 -178.9573 0.9302 179.8034 -0.345 -0.1985 179.6532 -179.9262 0.2225 0.1856 -179.6657 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00030 0.00245 0.00292 0.00468 0.00602 0.00711 0.00907 0.01528 0.01683 0.01692 0.01749 0.01769 0.01814 0.02120 0.02272 0.02281 0.02318 0.02557 0.02597 0.02819 0.02923 0.02943 0.03213 0.03358 0.03671 0.04048 0.04376 0.04469 0.04548 0.04633 0.04993 0.05437 0.05785 0.05832 0.05995 0.06421 0.07227 0.07333 0.07812 0.08031 0.08094 0.08971 0.10868 0.11327 0.11614 0.11634 0.11902 0.12009 0.12413 0.12733 0.14428 0.14751 0.14964 0.15953 0.17003 0.17512 0.18035 0.18490 0.18794 0.19521 0.19717 0.20025 0.20687 0.21246 0.22508 0.23997 0.24507 0.24944 0.25270 0.25318 0.26102 0.26734 0.28495 0.29122 0.29636 0.30385 0.31174 0.31604 0.33242 0.33711 0.33981 0.34282 0.34663 0.34918 0.34957 0.35146 0.35312 0.35346 0.35552 0.35917 0.35942 0.36124 0.36280 0.36769 0.36886 0.37117 0.37931 0.40272 0.41270 0.41738 0.42725 0.46444 0.46700 0.47920 0.48885 0.50630 0.51574 0.59924 Angle between quadratic step and forces= 74.18 degrees. 1 2 0.00023037 0.00000003 0.00000002 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 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 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 3.32463 2.68670 1.83747 2.57034 2.75272 2.54764 2.50434 2.49902 2.56489 2.85725 2.84604 2.88924 2.04958 2.85397 2.04608 2.04815 2.04763 2.04467 2.95637 2.90003 2.07451 2.94005 2.90167 2.06081 2.06329 2.06166 2.05977 2.05783 2.64527 2.63439 2.62921 2.04969 2.63394 2.04388 2.62999 2.04562 2.62555 2.04575 2.03860 2.03917 1.89031 2.09710 1.90500 2.27587 1.79379 1.79568 2.16467 1.98854 2.14352 1.99567 1.96008 2.08264 2.04893 2.05117 2.06976 1.98841 2.05723 2.05193 2.07499 2.05716 1.99239 1.91737 1.98976 1.85930 1.95387 1.85655 1.87919 1.86621 1.89536 1.94807 1.92790 1.92925 1.89692 1.94074 1.95029 1.92731 1.88069 1.90076 1.86138 1.94643 1.87538 1.88505 1.94356 1.90994 1.90193 2.10847 2.10985 2.06485 2.11836 2.10167 2.06308 2.11438 2.07957 2.08914 2.07713 2.10960 2.09646 2.08240 2.10569 2.09509 1.92883 2.14499 2.20937 2.08479 2.08917 2.10921 2.00134 2.12499 2.15684 2.80733 0.72684 -1.36400 -3.05383 -0.01072 1.05848 -3.09017 -1.04078 -1.96084 0.17370 2.22309 0.01670 -3.12444 3.04642 -0.09472 0.00164 -3.13482 -0.01459 3.12653 0.00800 -3.13883 0.08412 -2.43958 2.58341 0.05972 2.40059 -0.09461 -0.07679 -2.57198 -2.64125 -0.43212 1.63792 -1.35561 0.85352 2.92356 1.13364 -2.94042 -0.87038 -2.49562 0.03730 0.01054 2.54346 1.22228 -3.00159 -0.90148 -1.00694 1.05238 -3.13070 -3.05513 -0.99581 1.10429 -1.13252 3.04840 0.97959 1.05744 -1.04483 -3.11364 3.09201 0.98974 -1.07907 -1.20122 2.98715 0.88335 3.04060 0.94579 -1.15802 0.92123 -1.17358 3.00580 3.09640 -0.05035 -1.11206 2.02437 1.00648 -2.14027 -3.14099 0.01371 0.00563 -3.12286 3.13880 -0.01772 -0.00783 3.11884 0.00118 -3.14038 3.12995 -0.01161 0.00320 -3.14036 -3.12339 0.01623 3.13816 -0.00602 -0.00346 3.13554 -3.14030 0.00388 0.00324 -3.13576 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00009 -0.00003 0.00000 -0.00000 -0.00001 0.00003 0.00002 -0.00000 0.00001 0.00001 0.00002 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00003 0.00002 0.00000 -0.00003 -0.00002 -0.00002 -0.00002 0.00001 -0.00005 0.00005 0.00001 0.00013 -0.00010 0.00012 -0.00008 -0.00005 0.00010 -0.00008 0.00007 -0.00004 -0.00003 0.00003 -0.00002 -0.00000 -0.00001 -0.00005 0.00003 0.00001 -0.00001 0.00001 -0.00004 -0.00005 0.00007 -0.00001 0.00002 -0.00002 -0.00003 -0.00000 0.00004 -0.00000 -0.00002 0.00002 0.00003 -0.00003 0.00000 0.00002 -0.00002 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00003 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00002 -0.00004 0.00002 -0.00001 -0.00001 0.00019 0.00023 0.00014 0.00007 -0.00005 -0.00017 -0.00015 -0.00015 -0.00003 -0.00001 -0.00001 0.00008 -0.00002 -0.00005 -0.00015 0.00000 0.00003 -0.00008 0.00003 0.00005 0.00002 -0.00016 -0.00011 -0.00015 -0.00010 -0.00003 0.00001 -0.00006 -0.00002 0.00040 0.00040 0.00044 0.00035 0.00035 0.00039 0.00039 0.00039 0.00043 0.00020 0.00020 0.00017 0.00016 -0.00002 -0.00004 -0.00001 -0.00002 -0.00004 -0.00001 -0.00003 -0.00005 -0.00001 0.00025 0.00028 0.00023 0.00028 0.00030 0.00026 0.00024 0.00027 0.00022 -0.00010 -0.00009 -0.00009 -0.00009 -0.00009 -0.00009 -0.00005 -0.00005 -0.00005 0.00015 -0.00003 0.00014 -0.00004 0.00010 -0.00007 -0.00017 -0.00016 0.00000 0.00001 0.00016 0.00019 -0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00001 -0.00001 -0.00002 0.00003 0.00002 0.00004 0.00002 -0.00003 -0.00002 -0.00002 -0.00001 -0.00009 -0.00003 0.00000 -0.00000 -0.00001 0.00003 0.00002 -0.00000 0.00001 0.00001 0.00002 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00003 0.00002 0.00000 -0.00003 -0.00002 -0.00002 -0.00002 0.00001 -0.00005 0.00005 0.00001 0.00013 -0.00010 0.00012 -0.00008 -0.00005 0.00010 -0.00008 0.00007 -0.00004 -0.00003 0.00003 -0.00002 -0.00000 -0.00001 -0.00005 0.00003 0.00001 -0.00001 0.00001 -0.00004 -0.00005 0.00007 -0.00001 0.00002 -0.00002 -0.00003 -0.00000 0.00004 -0.00000 -0.00002 0.00002 0.00003 -0.00003 0.00000 0.00002 -0.00002 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00003 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00002 0.00002 -0.00004 0.00002 -0.00001 -0.00001 0.00019 0.00023 0.00014 0.00007 -0.00005 -0.00017 -0.00015 -0.00015 -0.00003 -0.00001 -0.00001 0.00008 -0.00002 -0.00005 -0.00015 0.00000 0.00003 -0.00008 0.00003 0.00005 0.00002 -0.00016 -0.00011 -0.00015 -0.00010 -0.00003 0.00001 -0.00006 -0.00002 0.00040 0.00040 0.00044 0.00035 0.00035 0.00039 0.00039 0.00039 0.00043 0.00020 0.00020 0.00017 0.00016 -0.00002 -0.00004 -0.00001 -0.00002 -0.00004 -0.00001 -0.00003 -0.00005 -0.00001 0.00025 0.00028 0.00023 0.00028 0.00030 0.00026 0.00024 0.00027 0.00022 -0.00010 -0.00009 -0.00009 -0.00009 -0.00009 -0.00009 -0.00005 -0.00005 -0.00005 0.00015 -0.00003 0.00014 -0.00004 0.00010 -0.00007 -0.00017 -0.00016 0.00000 0.00001 0.00016 0.00019 -0.00001 0.00002 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00001 -0.00001 -0.00002 0.00003 0.00002 0.00004 0.00002 -0.00003 -0.00002 -0.00002 -0.00001 3.32454 2.68666 1.83747 2.57033 2.75271 2.54767 2.50436 2.49902 2.56490 2.85725 2.84606 2.88924 2.04957 2.85396 2.04608 2.04816 2.04763 2.04468 2.95639 2.90002 2.07450 2.94004 2.90165 2.06081 2.06328 2.06166 2.05976 2.05783 2.64526 2.63439 2.62918 2.04968 2.63392 2.04388 2.63000 2.04563 2.62556 2.04575 2.03859 2.03917 1.89028 2.09712 1.90500 2.27584 1.79378 1.79566 2.16465 1.98855 2.14347 1.99572 1.96010 2.08277 2.04884 2.05129 2.06968 1.98836 2.05733 2.05185 2.07506 2.05713 1.99235 1.91740 1.98975 1.85930 1.95386 1.85650 1.87922 1.86622 1.89535 1.94808 1.92787 1.92920 1.89699 1.94073 1.95030 1.92729 1.88066 1.90076 1.86141 1.94643 1.87537 1.88507 1.94359 1.90991 1.90193 2.10850 2.10983 2.06485 2.11835 2.10168 2.06308 2.11438 2.07957 2.08914 2.07716 2.10958 2.09644 2.08242 2.10568 2.09508 1.92883 2.14499 2.20937 2.08481 2.08920 2.10917 2.00136 2.12498 2.15683 2.80752 0.72707 -1.36386 -3.05376 -0.01077 1.05831 -3.09032 -1.04093 -1.96087 0.17369 2.22308 0.01678 -3.12446 3.04637 -0.09486 0.00164 -3.13479 -0.01467 3.12656 0.00805 -3.13882 0.08396 -2.43969 2.58327 0.05962 2.40056 -0.09460 -0.07685 -2.57201 -2.64085 -0.43171 1.63835 -1.35526 0.85388 2.92394 1.13403 -2.94002 -0.86995 -2.49542 0.03750 0.01071 2.54362 1.22226 -3.00163 -0.90149 -1.00696 1.05234 -3.13071 -3.05516 -0.99586 1.10428 -1.13227 3.04868 0.97983 1.05772 -1.04452 -3.11338 3.09224 0.99001 -1.07885 -1.20132 2.98706 0.88325 3.04051 0.94570 -1.15810 0.92118 -1.17363 3.00575 3.09655 -0.05038 -1.11193 2.02433 1.00659 -2.14034 -3.14116 0.01355 0.00564 -3.12284 3.13896 -0.01753 -0.00784 3.11886 0.00117 -3.14040 3.12993 -0.01164 0.00321 -3.14035 -3.12341 0.01621 3.13819 -0.00600 -0.00343 3.13556 -3.14034 0.00386 0.00321 -3.13577 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000004 0.001112 0.000230 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.186019e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7593 1.4217 0.9723 1.3602 1.4567 1.3482 1.3252 1.3224 1.3573 1.512 1.5061 1.5289 1.0846 1.5103 1.0827 1.0838 1.0836 1.082 1.5644 1.5346 1.0978 1.5558 1.5355 1.0905 1.0918 1.091 1.09 1.089 1.3998 1.3941 1.3913 1.0846 1.3938 1.0816 1.3917 1.0825 1.3894 1.0826 1.0788 1.0791 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 108.3065 120.1553 109.1484 130.3979 102.7768 102.8846 124.0266 113.9351 122.8149 114.3436 112.3046 119.3263 117.3952 117.5235 118.5884 113.9276 117.8706 117.5668 118.8883 117.8667 114.1553 109.857 114.005 106.5301 111.9484 106.3723 107.6696 106.9259 108.5962 111.6162 110.4607 110.538 108.6855 111.1962 111.7431 110.4267 107.7555 108.9055 106.6491 111.5224 107.4516 108.0054 111.3579 109.4314 108.9725 120.8066 120.8857 118.3071 121.3731 120.4169 118.2059 121.1452 119.1505 119.6989 119.0107 120.871 120.1183 119.313 120.6471 120.0398 110.5137 122.8989 126.5875 119.4498 119.7009 120.8491 114.6683 121.753 123.578 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 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 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 160.8482 41.6447 -78.1516 -174.9715 -0.6142 60.6464 -177.0534 -59.6322 -112.348 9.9522 127.3734 0.9567 -179.0172 174.5471 -5.4268 0.0938 -179.612 -0.836 179.1367 0.4584 -179.8419 4.8197 -139.7775 148.0187 3.4215 137.5434 -5.4205 -4.3999 -147.3639 -151.3322 -24.7585 93.8458 -77.6705 48.9032 167.5075 64.9528 -168.4735 -49.8692 -142.9884 2.1371 0.6039 145.7295 70.0314 -171.9783 -51.6512 -57.6933 60.297 -179.3759 -175.0461 -57.0558 63.2713 -64.8884 174.6607 56.1266 60.5868 -59.8641 -178.3982 177.1589 56.7081 -61.8261 -68.8248 171.1511 50.6121 174.2137 54.1896 -66.3494 52.7828 -67.2413 172.2197 177.4107 -2.885 -63.7165 115.9878 57.6672 -122.6286 -179.9656 0.7853 0.3227 -178.9264 179.8397 -1.0152 -0.4488 178.6963 0.0676 -179.9306 179.3328 -0.6654 0.1831 -179.9294 -178.9573 0.9302 179.8034 -0.345 -0.1985 179.6532 -179.9262 0.2225 0.1856 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1718.8911430214 38 38 38 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 -0.0460139528 0.000000 6.746255 0.000000 6.476245 2.966953 0.000000 6.877772 2.845140 1.360164 0.000000 6.346475 4.784999 2.194505 2.258302 0.000000 6.501611 2.969929 5.010472 5.477762 6.894173 0.000000 7.703342 4.122292 6.404874 6.811703 8.358271 1.511990 0.000000 7.226294 3.116980 5.777433 5.918343 7.613343 1.506057 1.510257 0.000000 6.799331 2.400819 3.858914 4.506028 5.916276 1.528920 2.685308 2.664870 0.000000 6.089924 1.421739 2.491046 3.026076 4.462422 2.531803 3.926598 3.353507 1.564444 0.000000 8.310616 2.884297 4.423634 4.941396 6.609952 2.569386 3.056297 3.170487 1.534632 2.568525 0.000000 6.748403 2.419226 1.456676 2.441835 3.618536 3.904916 5.211296 4.805570 2.563142 1.555810 3.047502 0.000000 4.554429 2.446944 2.869700 3.433686 4.251355 2.906373 4.413755 3.816164 2.547698 1.535499 3.918135 2.511775 0.000000 4.018591 3.751620 3.398763 4.300219 4.499063 3.532526 4.973697 4.737078 3.143070 2.553206 4.575224 3.047846 1.399817 0.000000 4.023798 2.778410 3.597515 3.700630 4.510593 3.519518 4.906260 3.982705 3.599072 2.549273 4.900636 3.614533 1.394060 2.398670 0.000000 2.727599 4.878972 4.413526 5.196248 4.966749 4.519744 5.876043 5.620232 4.430151 3.841225 5.911734 4.346143 2.433745 1.391317 2.785496 0.000000 2.729067 4.170790 4.567802 4.705957 4.974026 4.510596 5.820348 4.996872 4.767937 3.838206 6.170322 4.763306 2.428184 2.779040 1.393819 2.418752 0.000000 6.138080 4.200920 1.348155 2.206929 1.322426 5.972336 7.426940 6.864223 4.878698 3.563109 5.589909 2.546548 3.467018 3.560698 4.106669 4.258849 4.725832 0.000000 1.759320 5.032544 4.900739 5.355628 5.177455 4.926881 6.245449 5.721785 5.094660 4.330610 6.587311 5.047346 2.795113 2.398088 2.401935 1.391733 1.389379 4.781857 0.000000 6.765141 4.052594 2.098474 1.325242 1.357281 6.571383 7.966877 7.047138 5.660747 4.134485 6.215059 3.491165 4.164463 4.816513 4.228830 5.435913 4.915450 2.095592 5.467199 0.000000 5.557710 3.472516 5.158786 5.696357 6.827050 1.084590 2.189306 2.188878 2.184639 2.834145 3.508202 4.213381 2.605946 2.973901 3.106166 3.717252 3.825379 5.929171 4.080256 6.641160 0.000000 8.659355 4.468870 6.694670 7.122759 8.766291 2.249905 1.082738 2.228116 2.917260 4.311211 2.735925 5.393311 5.078972 5.633038 5.712908 6.660573 6.730776 7.783482 7.144558 8.350328 3.102132 0.000000 7.682217 5.040981 7.234202 7.684352 9.099336 2.229097 1.083834 2.241004 3.550916 4.758460 4.070875 6.075597 4.979883 5.363380 5.374714 6.068368 6.080270 8.163906 6.391855 8.778292 2.451577 1.816295 0.000000 6.865384 3.624735 6.283735 6.315658 7.924222 2.228914 2.244131 1.083559 3.529439 3.954568 4.216543 5.486211 4.069536 4.997903 3.884504 5.654725 4.692099 7.290729 5.512485 7.334828 2.460991 3.114228 2.552378 0.000000 7.924616 2.770561 5.630368 5.606947 7.518919 2.224223 2.231408 1.081994 2.855934 3.377456 2.919396 4.689605 4.165474 5.252812 4.329894 6.255524 5.498197 6.834972 6.349121 6.804778 3.084507 2.516601 3.122425 1.817782 0.000000 6.656061 3.323844 4.043937 4.958907 6.013694 2.120805 3.174355 3.517478 1.097783 2.149609 2.140777 2.722086 2.763177 2.833576 4.014915 4.100665 4.997864 4.842284 5.021454 6.002197 2.414271 3.373034 3.837275 4.318883 3.870740 0.000000 8.679679 2.574836 4.630974 4.846439 6.772714 2.878608 3.221349 2.950802 2.180496 2.829980 1.090535 3.435140 4.240716 5.155033 4.978902 6.459406 6.319872 5.910424 6.946755 6.164515 3.901581 2.895515 4.302373 3.959616 2.345231 3.060977 0.000000 8.698017 3.267532 4.078411 4.703029 6.258196 3.515548 4.114919 4.222842 2.188297 2.833062 1.091843 2.707231 4.253036 4.789264 5.358033 6.174237 6.629755 5.197153 6.964074 5.943669 4.340579 3.746955 5.095693 5.243659 3.915025 2.474156 1.762840 0.000000 8.898150 3.885795 5.444629 6.024442 7.626591 2.800454 2.784402 3.369087 2.171174 3.516733 1.090981 4.026474 4.713225 5.210133 5.703610 6.491488 6.898675 6.551363 7.228004 7.287714 3.747889 2.151875 3.697898 4.444262 3.242715 2.487114 1.774960 1.750694 0.000000 6.705470 3.367355 2.064533 3.315454 3.933037 4.153413 5.433324 5.299215 2.772355 2.200863 3.338029 1.089981 2.824961 2.839432 4.113350 4.117245 5.086780 2.663361 5.076107 4.151768 4.339444 5.589099 6.203747 6.010055 5.335996 2.479571 4.000767 2.887531 4.132806 0.000000 7.810736 2.595767 2.070840 2.712473 4.196002 4.270238 5.379137 4.997983 2.841012 2.175689 2.735586 1.088956 3.455212 4.089935 4.470119 5.416166 5.710919 3.245060 6.094491 3.878922 4.805529 5.361452 6.342124 5.794211 4.674008 3.140070 2.985135 2.139599 3.729174 1.773603 0.000000 6.821976 0.972346 2.498313 2.012676 4.091588 3.906768 5.092876 4.040102 3.235177 1.958377 3.646053 2.436218 2.757863 4.043913 2.917205 5.090481 4.242453 3.714101 5.156252 3.201358 4.308515 5.428914 5.998626 4.445910 3.639207 4.043144 3.308365 3.810340 4.700578 3.491908 2.593668 0.000000 4.858018 4.141304 3.505739 4.635647 4.781329 3.694545 5.040373 5.072470 3.024782 2.762147 4.312175 2.900476 2.161793 1.084647 3.389565 2.130431 3.863423 3.640821 3.372302 5.219744 3.282426 5.540857 5.453764 5.512475 5.558807 2.379503 5.074638 4.372008 4.847225 2.329219 3.864131 4.484792 0.000000 4.875185 2.379614 3.831859 3.580730 4.797038 3.654443 4.904186 3.718443 3.807816 2.734766 4.889674 3.877790 2.140586 3.379262 1.081576 3.866953 2.146233 4.547578 3.381992 4.205494 3.480865 5.667529 5.459996 3.548344 3.862968 4.470640 4.727938 5.405882 5.736211 4.597619 4.537499 2.444552 4.286222 0.000000 2.862564 5.854061 5.124049 6.033708 5.530286 5.267772 6.540914 6.472002 5.141556 4.709599 6.590029 5.038676 3.416280 2.157114 3.867976 1.082497 3.397322 4.782222 2.149569 6.189994 4.429983 7.288594 6.640023 6.535509 7.158993 4.615716 7.248083 6.784132 7.078432 4.604699 6.100530 6.074159 2.459572 4.949407 0.000000 2.864644 4.786818 5.358498 5.272763 5.541859 5.254206 6.452419 5.491844 5.652113 4.705527 6.997942 5.668028 3.409477 3.861589 2.157078 3.397225 1.082562 5.505180 2.146676 5.363528 4.590550 7.402406 6.659640 5.006253 5.956379 5.981415 7.027053 7.507819 7.731362 6.084622 6.559972 4.782234 4.945910 2.481571 4.287170 0.000000 6.044136 4.854436 2.135692 3.234870 2.147843 6.158647 7.602186 7.231729 5.040981 3.944412 5.817830 2.886914 3.725180 3.407057 4.549377 4.015956 5.026549 1.078780 4.783395 3.152308 6.027049 7.949175 8.267195 7.692154 7.316128 4.764749 6.314797 5.378688 6.675977 2.569108 3.650740 4.528776 3.252846 5.174618 4.311763 5.898223 0.000000 7.253048 4.656687 3.138317 2.103767 2.150980 7.325334 8.679809 7.634788 6.516754 4.978052 7.022610 4.473139 4.981385 5.725798 4.801733 6.242142 5.396688 3.137815 6.080833 1.079083 7.404433 9.081861 9.493074 7.834630 7.325570 6.951313 6.843380 6.795112 8.109012 5.201998 4.766529 3.728383 6.218587 4.607995 7.026926 5.651257 4.165340 0.000000 C15H18ClN3O 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3468644 0.2719412 0.1757829 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= 556 RedAO= T EigKep= 1.12D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 7.20D-07 NBFU= 554 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= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.35462325145 -1282.35462325 1 1.277726361479e+03 -6.443341277030e+03 2.164415163231e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830476003 LenY= 2830143651 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= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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. 11745 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 850000000 NMat= 114 IRICut= 285 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= 114 NMatS0= 114 NMatT0= 0 NMatD0= 114 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 83.74% of shell-pairs survive, threshold= 0.20 IRatSp=84. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 3.67D-14 1.00D-09 XBig12= 2.21D+02 5.18D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 3.67D-14 1.00D-09 XBig12= 6.58D+01 1.25D+00. 114 vectors produced by pass 2 Test12= 3.67D-14 1.00D-09 XBig12= 5.81D-01 6.27D-02. 114 vectors produced by pass 3 Test12= 3.67D-14 1.00D-09 XBig12= 2.83D-03 3.17D-03. 114 vectors produced by pass 4 Test12= 3.67D-14 1.00D-09 XBig12= 7.27D-06 1.67D-04. 108 vectors produced by pass 5 Test12= 3.67D-14 1.00D-09 XBig12= 1.30D-08 8.33D-06. 33 vectors produced by pass 6 Test12= 3.67D-14 1.00D-09 XBig12= 1.61D-11 2.84D-07. 3 vectors produced by pass 7 Test12= 3.67D-14 1.00D-09 XBig12= 1.95D-14 1.70D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 714 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 203.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 239.720 5.454 189.883 -1.796 2.337 180.229 342.483 17.550 256.016 3.648 8.446 326.469 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT80386.200S Sun Jul 4 01:17:26 2021 8.77765375e-01 -1.43664504e-02 -8.99514363e-01 2.39720318e+02 5.45369049e+00 1.89883480e+02 -1.79639262e+00 2.33677254e+00 1.80229164e+02 -2.2508 -0.0022 -0.0020 -0.0018 3.0335 4.2324 20.6319 31.4496 40.1036 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 20.5801 31.4338 40.0963 57.1705 66.4844 74.3222 119.6688 136.2459 167.1035 184.0438 205.4404 234.1987 267.2132 289.4753 314.7642 324.8995 330.5931 343.2194 364.6702 400.8066 421.1492 460.8770 494.9404 509.4364 547.8556 607.4237 627.2810 647.1251 663.8667 675.9451 691.8928 726.8312 740.3648 765.8838 781.4635 804.5012 833.7107 846.5632 852.2551 854.9808 902.0378 903.3749 909.0860 936.5312 962.7113 974.6166 985.5130 995.5985 1018.1046 1021.1836 1032.0017 1043.5885 1046.3194 1060.6396 1069.3001 1103.7352 1109.7466 1128.1250 1142.6617 1151.3013 1167.9094 1175.4389 1192.7967 1196.0835 1217.7091 1231.2732 1245.3942 1257.1818 1310.5989 1313.8403 1330.7450 1333.8594 1344.9407 1361.4556 1367.3071 1383.2395 1403.8661 1423.6687 1424.9183 1430.4716 1470.7099 1472.3894 1488.9650 1506.9663 1517.9973 1520.1379 1521.8080 1536.6344 1610.8756 1634.8747 3000.1901 3047.0998 3082.0254 3101.8237 3120.2922 3125.6435 3128.8299 3137.2650 3142.0557 3161.3334 3192.0802 3197.3704 3199.5273 3209.9494 3217.3185 3248.3558 3252.8152 3638.7383 3.4320 5.0875 4.9774 3.8600 4.9528 4.4149 3.6721 5.5261 4.6561 6.4788 1.5412 2.6767 6.0798 3.5003 6.0676 3.5868 5.4504 3.9714 3.1469 2.5749 2.9671 3.3434 6.1660 2.8613 2.4815 1.2883 2.7309 5.7807 3.7229 2.9058 3.6655 3.1607 3.8950 4.5370 1.8717 1.5043 1.4358 1.3395 1.3656 1.4382 1.8369 1.9101 2.6169 2.7934 1.4086 5.9369 1.7439 1.6180 3.2631 2.4389 3.7641 2.4296 1.3686 2.1029 1.3561 2.7357 2.1868 2.0567 1.1205 1.5301 1.8129 2.1101 2.0703 1.4662 1.1511 1.6980 3.4185 2.0085 3.3277 6.0416 1.2880 2.2833 1.5706 1.5200 1.5052 2.3193 1.3072 1.4394 1.6181 1.8556 1.1446 2.2466 1.2733 1.1400 1.0937 1.2561 2.1176 3.6268 6.8196 5.5814 1.0825 1.0362 1.0595 1.0980 1.0682 1.0854 1.0597 1.1070 1.0877 1.0883 1.0895 1.0938 1.1174 1.0933 1.1147 1.0960 1.1013 1.0674 0.0009 0.0030 0.0047 0.0074 0.0129 0.0144 0.0310 0.0604 0.0766 0.1293 0.0383 0.0865 0.2558 0.1728 0.3542 0.2231 0.3510 0.2756 0.2466 0.2437 0.3101 0.4184 0.8899 0.4375 0.4388 0.2801 0.6331 1.4263 0.9667 0.7822 1.0339 0.9838 1.2579 1.5680 0.6735 0.5736 0.5880 0.5656 0.5844 0.6194 0.8806 0.9184 1.2743 1.4436 0.7692 3.3226 0.9979 0.9449 1.9928 1.4985 2.3619 1.5590 0.8828 1.3938 0.9136 1.9636 1.5868 1.5422 0.8620 1.1949 1.4569 1.7177 1.7355 1.2358 1.0057 1.5167 3.1239 1.8703 3.3677 6.1445 1.3439 2.3935 1.6739 1.6600 1.6580 2.6146 1.5179 1.7189 1.9357 2.2372 1.4587 2.8696 1.6632 1.5253 1.4849 1.7102 2.8894 5.0456 10.4264 8.7894 5.7410 5.6684 5.9297 6.2244 6.1275 6.2479 6.1120 6.4193 6.3268 6.4085 6.5409 6.5882 6.7394 6.6372 6.7980 6.8137 6.8658 8.3267 0.0123 0.0161 0.3881 0.0386 0.0735 1.0695 1.8195 0.4354 0.9384 0.2971 0.3991 0.3174 0.8282 1.4282 0.5286 1.4864 0.6758 4.3854 0.6918 1.1230 0.5395 4.4072 11.9749 7.1036 9.2489 66.0606 31.9014 2.9975 18.0245 15.4935 29.9866 1.3010 6.5177 11.1005 7.8086 3.9507 29.8223 22.8230 2.3707 15.4609 6.4682 13.6177 4.3324 2.0902 1.7340 11.1748 5.0082 5.6888 18.7070 3.4263 36.6683 23.1228 9.9653 3.4591 2.3453 39.9037 32.0057 24.0511 0.5158 4.6155 27.6986 0.9795 13.8999 2.7602 1.0812 11.8771 31.2532 2.9303 35.2906 3.2945 2.7752 6.5389 10.2189 3.3584 6.4504 11.7210 1.6922 44.1760 19.6917 12.9872 3.4565 28.5484 11.0934 4.7322 12.1503 1.5711 55.8438 66.3863 1.0552 11.0216 25.1254 23.7123 18.3797 29.4464 12.3710 26.4795 15.4428 8.3758 9.7514 10.5320 0.7730 2.5522 3.5058 0.9369 17.1455 2.0008 1.4311 270.9705 -0.06 0.09 -0.03 -0.01 -0.03 0.02 -0.01 -0.04 0.01 -0.03 -0.03 0.01 -0.03 -0.07 -0.00 0.07 0.01 0.12 0.05 -0.03 -0.07 0.32 0.05 0.01 0.00 -0.03 0.03 -0.00 -0.03 0.02 -0.02 0.03 -0.06 0.00 -0.03 0.02 -0.01 -0.02 0.01 0.01 -0.04 0.00 -0.04 0.03 0.00 -0.00 -0.01 -0.01 -0.06 0.06 -0.01 -0.01 -0.06 0.00 -0.04 0.04 -0.01 -0.04 -0.05 0.00 0.02 0.04 0.32 0.00 -0.09 -0.28 -0.03 -0.03 0.01 0.43 0.11 0.15 0.45 0.05 -0.14 -0.03 -0.10 0.05 -0.05 0.21 -0.09 -0.06 -0.07 -0.22 0.02 -0.02 0.06 0.02 -0.02 0.02 -0.00 -0.02 0.04 -0.01 -0.03 0.02 0.04 -0.07 0.01 -0.06 0.04 0.01 0.01 -0.02 -0.01 -0.09 0.09 -0.01 -0.00 -0.06 0.00 -0.05 -0.06 -0.00 -0.03 0.17 0.02 0.05 0.01 -0.03 -0.03 -0.05 -0.01 -0.01 -0.03 -0.02 -0.12 -0.24 0.07 0.04 -0.01 -0.10 0.09 0.07 0.06 -0.16 -0.02 -0.01 0.07 0.02 -0.04 0.05 -0.00 -0.03 0.07 0.02 0.04 -0.01 -0.01 -0.03 0.06 -0.02 -0.01 0.07 -0.08 -0.01 0.02 0.06 -0.01 0.05 -0.03 -0.00 -0.00 0.11 -0.00 -0.10 -0.18 0.05 0.01 0.07 0.00 -0.06 -0.14 0.03 0.10 -0.06 -0.27 0.12 0.15 0.24 0.19 0.06 -0.00 -0.24 -0.08 -0.12 -0.29 0.01 0.11 0.10 0.07 -0.05 0.09 -0.13 0.06 0.07 0.10 0.18 0.05 0.08 -0.07 -0.02 -0.02 -0.02 -0.03 0.03 -0.04 0.05 0.01 -0.04 0.10 -0.15 -0.01 0.01 0.10 -0.01 0.06 -0.07 0.00 -0.03 0.19 0.00 -0.13 -0.23 0.07 -0.06 -0.15 0.04 -0.00 -0.07 -0.05 -0.04 0.01 -0.03 0.01 0.01 0.01 0.19 0.16 -0.04 0.03 0.01 0.19 -0.01 0.01 0.03 0.00 0.02 0.05 0.01 0.06 0.04 -0.02 -0.01 -0.01 -0.03 -0.01 -0.03 -0.03 0.00 -0.03 -0.05 -0.02 -0.05 -0.03 -0.02 -0.03 0.03 -0.14 -0.03 -0.09 0.11 -0.03 0.04 -0.15 -0.04 -0.09 0.10 -0.04 -0.09 -0.07 0.15 -0.02 -0.04 -0.04 0.20 0.15 0.07 -0.00 -0.00 0.06 -0.00 0.01 0.03 0.01 0.01 0.09 0.02 0.08 0.06 0.01 0.08 0.01 -0.02 -0.05 -0.01 -0.04 0.05 -0.03 -0.04 -0.02 -0.07 -0.02 -0.01 0.01 -0.13 -0.05 -0.03 -0.04 -0.04 -0.14 0.05 0.08 -0.08 0.08 -0.23 -0.03 -0.14 0.20 -0.03 0.09 -0.26 -0.04 -0.14 0.19 -0.04 -0.24 -0.20 0.22 0.33 0.24 0.06 -0.05 0.04 -0.01 0.00 -0.04 -0.05 0.00 -0.02 0.01 0.03 -0.05 0.02 0.04 0.03 0.05 0.05 0.00 0.05 0.12 0.11 0.21 -0.02 0.16 0.12 -0.02 -0.04 -0.05 -0.01 -0.04 -0.04 -0.03 -0.01 -0.16 -0.02 -0.03 -0.03 -0.01 -0.04 -0.04 -0.06 0.06 -0.03 0.05 -0.14 -0.03 -0.07 0.08 -0.02 0.04 -0.13 -0.03 0.01 0.03 0.03 -0.02 -0.01 -0.02 0.05 -0.02 0.05 0.10 -0.09 0.02 0.12 0.16 0.26 0.23 0.08 0.29 -0.02 0.18 0.13 -0.13 0.26 0.09 -0.07 -0.11 -0.02 0.03 0.04 -0.19 -0.09 -0.03 -0.21 -0.05 -0.02 -0.17 -0.04 -0.01 -0.03 -0.01 -0.04 -0.03 -0.00 -0.05 -0.04 -0.11 0.13 -0.03 0.09 -0.22 -0.04 -0.12 0.17 -0.02 0.08 -0.21 -0.02 -0.01 0.06 0.03 0.08 -0.04 0.06 -0.06 0.04 0.02 -0.01 -0.05 0.00 -0.06 -0.05 0.04 -0.09 -0.13 0.07 0.09 0.25 -0.06 0.09 -0.01 -0.09 0.16 0.08 -0.02 -0.01 -0.02 -0.04 0.03 0.02 -0.02 -0.01 -0.05 0.00 0.01 0.07 0.02 -0.07 -0.05 0.01 0.01 -0.09 0.00 0.05 -0.20 0.01 -0.05 0.02 0.01 0.04 -0.18 0.01 -0.06 0.06 0.01 0.06 0.19 -0.04 -0.02 -0.04 0.01 -0.00 0.05 0.01 0.14 -0.08 -0.19 0.16 0.18 0.08 0.26 0.07 -0.08 -0.02 -0.09 -0.12 -0.12 0.02 0.04 0.06 0.05 -0.03 0.01 -0.01 0.04 -0.02 0.12 0.11 0.03 0.14 -0.04 -0.11 -0.06 0.02 -0.07 -0.04 -0.03 -0.05 -0.07 0.02 0.10 -0.29 0.01 -0.09 0.10 0.01 0.08 -0.26 0.01 -0.11 0.16 0.02 0.11 0.31 -0.08 -0.01 0.03 0.02 0.07 -0.07 -0.00 0.06 -0.00 -0.04 0.04 0.03 0.02 -0.05 -0.15 0.08 0.01 -0.03 0.03 -0.06 0.01 0.04 -0.08 -0.01 0.09 -0.05 0.09 0.05 -0.05 -0.03 -0.05 0.02 0.02 -0.03 -0.03 -0.08 -0.17 0.05 0.04 -0.00 -0.01 0.08 -0.01 0.03 -0.01 -0.01 -0.06 0.19 -0.01 0.04 -0.04 -0.01 -0.05 0.18 -0.01 0.08 0.10 -0.01 0.01 0.04 -0.01 -0.07 -0.18 0.09 -0.08 0.01 0.09 -0.08 -0.06 0.05 -0.11 -0.02 0.16 -0.06 0.15 0.10 -0.03 0.11 -0.02 -0.11 -0.08 -0.02 0.04 -0.03 -0.21 -0.04 -0.12 -0.23 -0.08 -0.14 -0.17 0.05 0.07 -0.01 0.06 0.03 0.02 0.05 -0.03 -0.00 0.06 -0.07 -0.01 -0.10 0.27 -0.01 0.09 -0.13 -0.01 -0.08 0.25 -0.01 0.15 0.24 -0.07 -0.14 -0.32 0.13 -0.01 0.04 0.05 -0.05 0.09 -0.08 -0.02 0.01 -0.06 0.02 -0.12 -0.01 0.01 0.02 0.10 -0.02 0.05 0.07 -0.11 -0.07 0.02 0.03 0.02 0.04 0.06 0.03 0.03 -0.01 0.03 -0.08 0.05 0.04 0.19 -0.05 -0.00 -0.13 0.01 -0.01 -0.09 -0.01 -0.03 -0.07 0.05 -0.04 -0.07 -0.01 -0.04 -0.04 0.06 -0.05 -0.04 -0.02 0.10 0.01 0.02 -0.03 -0.02 0.03 -0.12 0.08 -0.08 0.13 0.14 -0.10 -0.18 -0.05 -0.24 -0.05 0.06 0.02 0.10 0.09 0.15 -0.03 -0.02 0.17 0.00 -0.01 -0.12 0.15 0.23 0.13 -0.02 0.10 0.15 0.00 0.38 -0.14 -0.04 -0.11 -0.04 -0.00 -0.23 -0.09 0.09 -0.12 -0.03 -0.04 -0.08 0.08 -0.03 -0.09 -0.03 -0.04 -0.02 0.09 -0.05 -0.02 -0.05 0.22 -0.01 0.06 -0.22 0.14 0.03 0.12 -0.08 0.10 0.07 -0.02 -0.12 -0.03 0.04 -0.09 0.03 0.02 -0.06 0.10 0.00 -0.09 0.01 0.04 -0.18 -0.09 0.02 -0.04 0.03 0.02 -0.04 -0.02 -0.02 0.03 0.03 0.02 -0.01 -0.09 -0.16 -0.09 0.01 0.01 0.07 -0.03 0.07 0.14 -0.09 0.05 0.09 -0.09 0.06 0.16 -0.12 0.02 0.11 -0.12 0.03 -0.10 0.02 0.03 0.12 -0.08 0.01 -0.05 0.11 -0.00 -0.14 0.08 0.13 -0.16 -0.20 -0.06 -0.29 -0.08 0.08 -0.05 0.12 0.09 0.07 0.00 -0.06 -0.11 -0.04 0.01 0.10 -0.10 -0.19 -0.03 -0.09 -0.16 -0.10 -0.14 -0.22 -0.13 -0.01 0.02 -0.11 0.07 -0.04 0.06 0.04 0.01 0.16 -0.08 0.07 0.08 -0.08 0.07 0.19 -0.13 0.01 0.08 -0.13 0.01 -0.12 -0.01 0.04 -0.02 0.17 -0.02 0.05 -0.05 -0.09 0.09 0.11 -0.05 -0.12 -0.11 -0.06 -0.02 -0.12 -0.06 -0.00 0.09 0.06 0.04 -0.06 0.03 0.08 -0.01 -0.00 0.06 -0.08 0.02 0.01 -0.05 0.03 0.02 -0.02 0.01 0.02 -0.07 0.04 -0.13 -0.09 -0.12 0.01 0.01 0.09 -0.01 0.11 0.08 -0.01 0.04 0.08 -0.04 0.18 0.05 -0.05 0.09 0.05 -0.12 0.02 0.00 -0.03 0.12 0.03 0.05 -0.01 0.02 0.05 -0.08 0.02 0.06 0.05 0.00 0.14 -0.01 -0.04 0.09 -0.14 -0.01 0.03 -0.08 0.06 0.02 -0.06 0.03 0.14 -0.33 0.05 -0.02 0.08 0.28 -0.05 0.03 -0.21 -0.23 -0.19 -0.08 -0.15 -0.02 -0.27 0.04 0.09 -0.07 -0.00 0.12 0.09 -0.01 0.02 0.09 -0.04 0.23 0.04 -0.06 0.07 0.04 -0.20 0.07 0.02 0.15 0.00 0.04 0.08 -0.02 0.12 0.00 -0.16 -0.03 -0.15 -0.13 0.14 -0.13 0.03 0.08 -0.05 0.12 -0.03 0.04 -0.03 0.02 -0.02 -0.11 0.08 0.02 -0.00 0.04 0.08 -0.05 -0.04 0.05 -0.06 -0.07 0.08 -0.05 0.02 -0.04 0.01 0.09 0.05 -0.03 -0.16 -0.00 0.03 -0.15 0.05 0.05 -0.14 -0.05 0.11 -0.11 0.03 0.13 -0.10 -0.10 -0.07 0.07 -0.00 0.12 -0.08 -0.06 0.18 -0.02 0.01 0.01 0.05 0.01 -0.20 0.06 -0.10 -0.11 0.13 -0.02 0.08 0.08 0.08 -0.02 -0.01 0.12 -0.07 -0.05 0.02 -0.02 0.04 0.10 -0.06 -0.00 0.12 -0.06 0.09 0.01 0.11 0.06 -0.10 0.10 0.17 0.01 -0.18 0.03 -0.01 0.02 -0.16 0.08 0.03 -0.16 -0.09 0.13 -0.09 0.04 0.16 -0.09 -0.11 -0.17 0.10 -0.03 0.34 -0.09 0.01 -0.01 -0.03 0.03 -0.03 0.00 -0.01 -0.05 -0.00 0.00 -0.03 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.05 -0.03 -0.03 0.02 -0.06 0.02 -0.02 0.02 0.01 -0.03 0.01 -0.02 0.00 -0.02 0.11 -0.01 -0.01 -0.04 -0.00 0.01 -0.02 0.04 0.01 0.01 0.04 0.00 -0.00 0.04 -0.00 0.04 0.03 -0.01 0.02 0.03 -0.01 -0.03 -0.00 -0.01 0.03 0.03 0.02 0.00 -0.01 0.00 0.03 -0.08 0.00 -0.08 0.05 -0.07 -0.02 0.03 -0.10 0.06 -0.02 -0.05 0.02 -0.03 0.03 0.02 -0.03 -0.28 0.60 -0.02 0.01 -0.15 -0.45 0.16 -0.05 0.46 -0.02 -0.05 0.00 -0.01 -0.03 -0.01 0.03 -0.03 0.00 0.01 0.00 0.04 0.00 -0.01 0.04 -0.01 0.05 0.03 -0.02 0.02 0.03 -0.02 -0.04 0.00 0.04 0.02 -0.02 -0.04 -0.03 -0.03 0.07 -0.06 -0.01 0.01 -0.05 0.02 0.01 -0.02 0.01 0.03 -0.01 -0.03 -0.03 0.08 -0.07 -0.10 0.01 -0.00 0.01 0.23 -0.06 0.05 0.05 -0.06 0.03 -0.02 -0.01 0.09 -0.01 0.08 0.01 -0.03 0.02 0.01 -0.03 0.03 -0.02 -0.02 0.04 -0.01 -0.02 0.03 -0.03 0.01 0.04 -0.03 0.01 0.03 0.03 -0.05 -0.00 -0.05 0.01 0.03 0.02 0.01 -0.02 -0.08 0.14 0.02 -0.09 -0.13 -0.11 -0.21 0.00 0.17 0.01 0.38 0.06 0.07 0.27 -0.21 0.10 0.13 -0.09 0.14 -0.35 0.13 0.13 0.17 0.39 0.02 0.09 -0.15 0.01 -0.03 0.02 0.01 -0.02 0.01 0.07 -0.07 0.03 -0.02 -0.03 0.03 -0.01 -0.03 0.03 -0.03 0.03 0.04 -0.03 0.02 0.04 0.04 -0.07 0.00 0.02 0.04 -0.04 0.15 0.08 0.04 -0.17 -0.11 0.12 -0.04 -0.16 -0.05 0.05 -0.15 -0.06 0.08 0.01 -0.00 -0.14 0.01 0.00 -0.05 0.15 -0.08 -0.02 0.11 -0.04 -0.15 -0.00 0.04 -0.07 -0.03 0.07 -0.19 0.05 0.06 -0.01 -0.10 0.02 -0.03 0.02 0.00 0.05 0.04 -0.04 0.01 0.02 0.01 0.08 0.02 -0.07 0.05 0.01 -0.03 -0.02 -0.08 -0.02 0.11 0.03 -0.05 0.12 -0.04 -0.03 -0.13 -0.02 0.05 -0.13 0.25 -0.19 0.05 0.12 -0.02 0.11 0.05 0.01 -0.10 0.20 -0.09 -0.16 0.04 0.04 -0.13 -0.10 0.07 -0.27 0.15 0.23 -0.18 0.19 -0.11 0.08 -0.15 0.01 -0.04 -0.05 0.06 -0.08 -0.03 0.05 0.09 0.07 -0.01 0.02 0.03 -0.00 0.07 -0.00 -0.06 0.01 -0.02 -0.05 -0.08 -0.08 -0.01 0.20 0.00 -0.03 0.05 0.03 -0.05 0.03 -0.08 -0.09 0.01 0.09 0.01 -0.02 0.08 0.02 -0.05 -0.00 0.01 -0.04 -0.13 -0.05 0.10 0.03 0.01 0.05 0.09 -0.05 -0.08 -0.12 -0.06 -0.04 -0.03 -0.07 -0.07 -0.14 0.18 -0.02 0.03 -0.02 -0.03 0.03 -0.00 -0.03 0.01 0.00 0.02 0.04 0.02 0.01 -0.03 0.05 0.04 0.00 0.07 -0.01 0.05 0.01 0.05 -0.02 0.06 -0.06 0.02 0.02 0.00 -0.22 -0.02 0.04 0.10 -0.08 0.22 -0.01 0.15 0.19 0.07 0.04 -0.07 0.23 -0.16 0.01 -0.08 -0.09 -0.33 -0.01 0.24 0.06 -0.21 0.06 0.06 -0.19 0.44 -0.04 0.09 -0.02 0.02 -0.02 -0.00 0.06 -0.10 -0.03 -0.04 0.02 0.00 0.05 0.05 0.00 -0.02 -0.06 0.07 0.05 0.00 0.07 0.01 0.06 0.00 -0.10 -0.01 0.02 -0.09 -0.01 0.05 0.24 0.19 -0.11 -0.01 -0.18 0.13 -0.03 -0.09 0.10 0.09 0.01 -0.07 -0.09 -0.01 0.04 0.02 0.12 -0.05 0.00 0.00 0.00 -0.06 -0.03 0.02 0.04 0.06 -0.02 -0.06 -0.03 0.09 0.04 0.00 0.00 -0.03 0.13 0.01 -0.02 0.11 -0.00 -0.07 0.08 -0.03 0.03 -0.05 -0.07 -0.01 -0.08 -0.10 0.06 -0.16 0.05 0.01 -0.14 -0.10 0.03 0.05 -0.03 -0.06 -0.06 0.04 -0.05 0.26 -0.10 0.16 0.10 -0.07 0.11 -0.12 -0.02 -0.09 0.05 0.03 -0.04 -0.04 0.02 -0.20 0.14 0.10 -0.03 -0.11 -0.05 0.02 -0.07 0.27 -0.01 0.06 0.00 0.01 0.06 0.00 0.15 0.10 -0.02 -0.03 0.17 0.01 -0.14 0.12 0.01 0.10 -0.04 -0.11 -0.01 -0.11 -0.11 0.09 -0.26 0.06 0.03 0.18 -0.10 0.01 -0.02 0.06 -0.09 0.18 0.07 0.03 0.03 0.02 -0.00 0.03 0.03 -0.00 -0.01 -0.00 -0.02 -0.05 -0.10 0.04 0.02 -0.03 -0.00 0.10 -0.08 -0.00 -0.01 0.02 0.00 -0.00 0.08 0.06 -0.17 -0.01 -0.04 -0.06 -0.01 0.04 -0.08 0.05 0.09 -0.05 0.02 -0.02 -0.09 0.02 0.02 0.07 -0.08 -0.06 0.01 -0.08 0.03 0.01 0.01 -0.04 0.09 -0.10 -0.03 -0.00 0.01 0.00 -0.09 -0.11 0.03 0.00 -0.07 0.07 0.00 0.09 0.07 0.12 -0.01 -0.08 0.21 -0.18 -0.05 0.09 0.02 0.01 0.03 -0.03 0.21 -0.31 -0.24 0.02 -0.37 0.20 -0.16 -0.12 0.03 0.00 -0.10 -0.14 -0.17 0.19 -0.05 0.16 -0.07 0.05 -0.06 -0.13 0.05 0.06 0.13 -0.12 -0.12 -0.01 -0.12 0.05 0.02 0.00 -0.05 -0.02 0.01 -0.05 -0.01 0.09 0.18 -0.18 0.09 -0.08 0.08 -0.17 0.02 -0.00 -0.16 -0.08 0.04 0.08 0.03 -0.02 -0.04 0.02 -0.03 0.03 0.01 0.03 -0.02 0.01 0.00 -0.01 0.04 0.01 0.09 0.03 -0.02 0.03 0.02 0.04 0.03 -0.01 0.07 0.10 0.05 0.10 0.05 -0.10 0.01 0.04 0.08 -0.00 -0.10 -0.06 -0.06 -0.12 -0.15 0.12 -0.05 0.01 -0.08 -0.15 0.03 -0.04 0.01 0.03 -0.02 -0.04 0.04 -0.08 0.03 -0.00 -0.04 0.07 -0.00 0.08 0.01 0.00 0.06 -0.06 0.01 0.05 -0.01 -0.02 0.04 0.04 0.08 -0.06 -0.04 0.05 -0.07 0.12 0.21 -0.05 0.01 -0.02 0.10 0.14 0.28 -0.16 0.17 0.11 0.17 0.09 -0.20 -0.00 0.10 0.19 0.03 -0.17 -0.14 -0.10 -0.16 -0.26 0.22 -0.05 0.12 -0.13 0.08 0.04 -0.01 0.04 0.17 -0.04 -0.09 0.07 0.10 0.02 0.01 0.09 0.04 -0.02 -0.05 -0.02 -0.05 0.01 0.07 -0.05 0.02 -0.00 -0.00 -0.03 0.05 -0.06 -0.02 -0.01 -0.02 -0.05 -0.02 -0.15 0.14 0.04 -0.08 -0.05 -0.03 0.03 -0.11 0.05 0.08 -0.09 0.01 0.01 -0.12 0.03 0.01 0.07 -0.07 -0.05 0.02 -0.06 0.07 0.03 -0.01 -0.05 0.13 -0.08 -0.05 -0.01 0.00 -0.05 0.01 0.10 -0.08 0.07 -0.04 -0.02 0.02 -0.04 0.01 -0.07 0.03 0.02 -0.06 0.07 -0.02 -0.09 -0.01 -0.14 0.01 0.07 -0.30 0.25 0.23 -0.06 0.35 -0.11 -0.25 -0.09 0.01 -0.02 -0.13 -0.21 0.15 -0.10 0.03 0.17 -0.15 0.04 0.01 -0.19 0.05 0.04 0.10 -0.10 -0.11 -0.00 -0.09 0.13 0.03 -0.02 -0.12 -0.04 -0.00 -0.03 -0.03 -0.02 0.06 -0.08 0.01 -0.03 -0.00 -0.04 0.00 -0.02 -0.04 -0.01 0.02 0.02 -0.11 0.09 0.11 -0.05 0.22 -0.10 -0.02 -0.02 0.05 0.00 0.03 0.04 0.04 0.02 -0.01 0.07 -0.11 0.01 0.04 0.04 0.02 0.05 -0.05 -0.04 0.02 -0.09 -0.02 0.08 -0.07 -0.04 -0.03 0.01 0.04 0.01 0.05 0.02 -0.04 0.02 -0.01 -0.06 0.09 0.04 0.02 -0.00 0.00 -0.11 0.09 0.11 -0.13 0.40 -0.13 0.11 0.21 -0.23 0.07 -0.21 -0.05 -0.08 -0.05 0.16 0.02 -0.04 0.05 0.02 0.08 -0.02 0.18 -0.24 -0.21 0.04 -0.27 0.19 0.13 0.04 0.00 0.01 0.07 0.11 0.08 -0.09 0.06 0.01 -0.15 -0.04 0.12 -0.12 -0.05 -0.04 -0.01 0.05 0.06 0.07 0.05 -0.08 0.04 -0.01 0.05 -0.01 0.01 -0.04 -0.03 -0.01 0.01 0.12 -0.01 -0.04 -0.03 -0.04 0.00 -0.04 -0.05 0.00 0.03 0.03 -0.01 -0.09 -0.04 0.02 -0.07 0.03 0.01 0.02 -0.03 -0.05 -0.05 -0.00 0.02 0.02 -0.00 -0.11 0.04 0.03 0.13 0.10 0.07 0.04 -0.02 -0.02 0.05 -0.07 -0.01 0.07 -0.07 -0.02 0.00 0.00 0.02 0.01 0.04 0.00 -0.05 0.01 -0.01 -0.05 0.09 0.02 0.03 -0.01 0.01 0.00 -0.12 -0.03 0.01 -0.09 -0.01 0.02 -0.08 0.12 0.05 0.06 0.05 -0.02 0.09 -0.11 -0.06 -0.01 -0.00 -0.13 -0.01 0.04 -0.22 0.10 0.13 -0.04 0.17 -0.04 0.48 0.28 -0.02 0.06 0.15 0.49 -0.06 0.10 -0.06 0.05 -0.11 -0.02 0.11 -0.13 -0.03 0.02 -0.03 0.02 0.04 0.05 0.02 -0.10 0.03 -0.00 0.08 -0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.01 0.00 -0.01 0.10 -0.19 -0.01 -0.09 0.20 -0.01 -0.09 0.18 0.01 0.10 -0.18 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.01 0.01 -0.00 0.01 -0.01 0.03 0.00 0.01 0.00 0.03 0.03 0.07 0.05 -0.02 0.20 -0.42 -0.01 -0.18 0.41 -0.00 -0.19 0.38 0.01 0.22 -0.40 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.10 -0.05 -0.02 0.05 -0.02 0.16 0.01 0.02 0.00 -0.00 0.03 0.00 -0.02 -0.01 -0.00 -0.04 -0.09 -0.03 0.01 -0.03 0.01 -0.01 0.03 -0.03 -0.02 -0.03 0.07 0.08 0.02 0.10 -0.07 0.04 0.00 -0.07 -0.07 -0.03 0.09 0.05 -0.09 0.02 0.04 -0.07 0.12 0.06 -0.12 0.02 0.00 0.04 0.11 0.07 -0.01 0.01 0.02 -0.00 0.01 -0.00 0.05 -0.02 -0.01 0.00 -0.03 -0.10 -0.05 -0.02 -0.02 -0.07 0.04 -0.05 0.11 0.08 0.04 0.05 -0.08 0.14 -0.13 -0.08 0.05 0.08 -0.02 0.08 -0.02 -0.19 0.04 0.01 -0.03 0.11 -0.05 -0.36 -0.35 0.07 -0.06 -0.01 -0.45 0.17 0.08 0.09 -0.07 0.00 -0.13 0.17 0.06 -0.14 0.01 -0.02 0.06 0.21 0.13 0.05 0.02 0.03 -0.01 -0.04 -0.03 0.01 0.15 0.08 -0.02 0.24 0.14 0.09 -0.01 0.02 -0.03 0.01 0.01 -0.05 -0.02 -0.00 0.02 0.01 -0.01 -0.03 0.01 -0.02 -0.00 -0.01 0.03 -0.03 -0.01 0.04 0.10 -0.01 -0.03 0.15 0.01 0.00 0.00 0.00 -0.08 0.13 -0.11 -0.11 -0.11 -0.20 -0.09 -0.15 -0.10 -0.04 -0.11 -0.20 -0.09 -0.02 -0.08 -0.02 0.04 -0.02 0.04 -0.02 -0.02 -0.06 0.05 0.01 -0.02 0.01 0.02 -0.01 -0.07 0.03 -0.07 0.00 -0.04 -0.02 0.04 0.01 0.05 0.01 -0.03 0.07 -0.08 -0.07 0.12 0.10 0.11 0.06 -0.04 0.02 -0.04 -0.07 -0.06 -0.07 -0.01 0.10 -0.15 0.12 0.00 -0.09 0.17 0.27 0.16 0.08 -0.31 -0.06 -0.19 -0.03 0.07 -0.17 -0.37 -0.09 0.07 -0.08 0.05 0.06 -0.03 0.08 -0.03 0.02 -0.05 0.03 0.02 -0.00 -0.00 0.04 -0.04 0.03 -0.00 -0.01 0.01 0.00 -0.04 0.01 0.03 -0.00 -0.02 0.08 0.06 -0.03 0.04 -0.05 0.03 0.02 -0.02 -0.01 -0.08 0.08 -0.01 -0.04 0.10 0.02 -0.05 -0.05 0.02 -0.02 0.05 -0.03 -0.10 0.18 -0.01 -0.00 -0.05 -0.01 0.01 -0.04 -0.01 0.01 -0.07 -0.00 0.02 -0.06 0.00 0.01 -0.04 0.00 -0.10 0.19 0.01 0.02 0.00 -0.01 0.11 0.02 -0.02 0.13 -0.16 0.17 -0.08 -0.02 -0.04 -0.10 0.06 -0.03 0.11 -0.10 0.03 -0.10 0.09 -0.01 -0.08 -0.11 0.04 0.15 -0.06 0.00 -0.12 -0.19 0.09 -0.15 -0.07 0.01 -0.02 0.07 -0.21 0.09 -0.05 0.12 0.11 -0.30 -0.02 0.13 -0.27 -0.03 0.13 -0.35 0.00 0.15 -0.33 -0.00 0.01 -0.09 0.01 0.02 0.03 -0.03 -0.03 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.11 0.14 -0.01 0.02 -0.01 0.02 0.02 -0.02 0.01 -0.12 0.08 -0.08 -0.04 0.01 0.02 -0.13 -0.09 0.03 -0.03 -0.01 0.04 0.07 -0.11 -0.01 0.03 -0.00 -0.02 0.04 0.01 -0.01 0.00 0.05 -0.00 0.02 0.06 -0.00 0.01 -0.00 -0.01 0.07 -0.09 0.00 0.01 -0.01 -0.00 0.14 0.07 0.04 0.14 -0.13 0.23 -0.14 0.04 -0.17 -0.20 0.09 -0.07 0.21 -0.21 0.12 -0.19 0.06 -0.05 -0.28 -0.21 0.11 0.16 -0.07 0.07 -0.18 -0.23 0.15 0.02 0.00 0.03 -0.01 -0.04 0.08 0.14 0.11 -0.04 -0.05 0.15 -0.02 -0.01 0.16 -0.02 -0.09 0.24 0.00 -0.06 0.26 0.01 0.02 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.03 0.00 0.01 -0.02 -0.03 0.01 0.00 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.02 -0.03 -0.05 -0.01 -0.04 -0.01 0.02 0.00 -0.01 -0.00 -0.05 0.05 -0.02 0.02 0.01 -0.02 0.02 0.01 0.02 0.01 0.03 0.00 -0.03 -0.02 0.03 -0.01 -0.01 0.01 0.03 -0.01 -0.01 0.05 -0.01 -0.02 -0.02 0.01 -0.01 0.03 0.03 -0.03 0.04 -0.01 0.01 0.01 -0.02 -0.03 -0.01 -0.02 0.01 -0.03 0.05 0.03 -0.06 -0.05 -0.04 -0.02 0.02 0.01 0.02 0.02 0.07 0.05 0.01 0.05 -0.02 0.03 -0.01 -0.05 0.09 0.67 0.56 -0.38 0.02 -0.01 0.02 0.06 0.03 0.00 0.05 -0.11 -0.03 0.04 -0.07 -0.02 0.03 0.06 -0.02 -0.04 -0.04 0.02 0.04 0.02 -0.00 -0.03 -0.06 0.07 0.01 0.04 0.00 -0.03 -0.07 0.04 0.04 0.03 -0.03 -0.04 -0.05 0.00 0.02 -0.02 0.02 0.01 -0.02 -0.01 -0.01 0.02 0.01 0.06 0.12 -0.03 -0.01 0.01 0.00 0.03 0.19 -0.12 0.04 -0.03 0.02 -0.04 -0.08 0.07 0.01 -0.07 0.01 -0.09 0.01 -0.00 -0.05 0.03 -0.04 -0.01 -0.07 0.02 -0.02 -0.09 -0.02 0.01 0.01 -0.01 -0.03 -0.06 -0.02 -0.01 -0.01 -0.04 0.05 -0.04 0.08 0.09 -0.04 0.04 -0.05 0.05 -0.05 -0.02 0.03 0.01 -0.01 0.02 -0.00 -0.03 0.01 0.01 0.01 0.03 -0.00 -0.14 0.09 -0.07 0.00 0.28 -0.33 0.52 0.32 -0.12 -0.10 0.02 0.06 -0.09 0.03 0.04 -0.14 0.20 -0.02 -0.16 0.21 -0.04 -0.05 -0.21 0.06 -0.00 0.03 -0.02 -0.01 -0.00 -0.02 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.03 -0.00 -0.00 0.10 -0.22 -0.11 0.19 0.23 0.13 0.19 -0.23 -0.11 -0.18 0.24 0.12 -0.19 0.00 0.02 -0.01 0.01 0.01 -0.10 0.01 0.00 -0.00 0.01 -0.00 -0.03 0.02 -0.03 0.01 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.02 -0.02 0.03 0.04 0.05 0.01 -0.02 0.00 -0.01 -0.02 -0.04 -0.03 -0.01 0.03 -0.03 0.02 0.00 -0.05 0.08 -0.33 -0.25 0.16 -0.11 -0.07 0.24 0.16 0.05 0.25 -0.14 -0.08 -0.24 0.17 0.05 -0.24 0.01 0.05 -0.02 0.02 0.01 -0.00 -0.02 -0.01 -0.00 0.01 0.02 -0.01 0.14 0.23 -0.10 -0.09 -0.10 0.04 0.05 0.18 -0.04 0.02 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.02 -0.01 -0.04 -0.06 0.02 0.01 0.01 -0.00 0.04 -0.10 0.02 -0.02 -0.02 -0.00 0.00 0.02 -0.03 0.02 0.03 0.02 0.02 -0.01 -0.02 0.03 -0.00 0.01 -0.12 -0.17 0.09 0.02 0.03 0.00 -0.04 -0.02 0.03 0.01 0.03 0.02 -0.01 0.02 0.00 -0.02 0.02 -0.04 -0.04 0.02 -0.02 0.02 -0.02 0.03 0.02 -0.03 -0.01 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 0.02 -0.01 0.10 -0.08 0.01 0.13 -0.25 0.05 0.01 0.05 -0.07 0.04 0.00 -0.02 0.06 0.03 -0.01 0.02 -0.07 -0.01 0.05 -0.05 0.01 -0.39 -0.62 0.26 -0.09 -0.15 0.08 -0.04 -0.02 0.00 0.01 -0.05 -0.12 -0.02 0.01 0.01 0.03 -0.01 -0.00 0.04 -0.01 -0.02 -0.04 -0.04 -0.01 0.04 -0.03 0.02 -0.00 -0.01 -0.04 -0.04 0.12 0.20 -0.15 0.03 -0.01 0.05 0.03 0.02 -0.10 0.04 0.04 -0.07 -0.02 -0.00 0.05 -0.01 -0.07 0.04 -0.01 0.06 0.03 0.04 -0.05 0.03 0.03 0.06 0.02 -0.02 -0.02 0.09 0.01 0.00 0.02 -0.03 -0.01 0.02 -0.08 -0.17 0.07 -0.15 -0.03 -0.06 -0.04 0.12 0.18 -0.04 0.08 -0.13 0.16 -0.18 0.08 0.14 0.16 0.41 0.11 -0.13 0.07 -0.08 -0.17 -0.24 -0.19 -0.11 0.02 0.16 -0.00 -0.06 -0.05 0.19 0.32 0.09 -0.04 0.11 0.05 -0.02 0.11 0.06 0.01 -0.04 0.08 -0.02 -0.05 0.08 0.03 0.04 -0.05 -0.02 -0.00 -0.05 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.07 0.10 -0.05 -0.13 -0.21 0.07 -0.12 -0.18 0.08 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.02 -0.03 -0.02 0.01 0.00 0.01 0.00 0.05 -0.04 -0.02 -0.02 -0.01 -0.00 0.01 0.00 -0.02 0.01 0.00 0.02 0.01 0.00 -0.02 0.01 0.00 0.02 0.02 0.08 -0.01 0.02 0.02 0.00 0.09 0.23 -0.07 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.02 0.01 -0.02 -0.01 0.02 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.02 0.04 0.01 -0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.02 0.05 -0.04 -0.02 0.10 -0.12 -0.01 0.15 0.12 -0.08 0.02 0.02 -0.01 0.03 0.04 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.01 0.07 0.23 -0.06 0.33 0.69 -0.22 0.01 0.01 0.00 -0.01 -0.04 -0.05 0.01 -0.07 -0.00 -0.03 0.06 0.02 -0.05 0.04 0.02 0.11 0.06 0.02 0.01 0.01 -0.09 -0.08 0.08 -0.05 0.01 -0.04 0.22 0.06 -0.05 -0.03 -0.10 -0.04 0.04 0.16 -0.05 -0.14 0.04 -0.01 0.00 -0.01 0.01 0.04 -0.02 0.00 -0.02 0.01 -0.01 0.03 -0.01 -0.02 -0.03 -0.01 0.02 0.04 -0.04 0.00 -0.00 -0.07 0.02 0.03 0.16 0.01 -0.11 0.15 -0.13 0.17 -0.21 0.08 -0.30 -0.20 0.27 0.03 0.06 0.04 -0.16 0.05 -0.09 0.21 0.20 0.09 -0.09 -0.28 -0.12 -0.09 -0.24 -0.08 -0.11 0.14 -0.03 -0.14 0.12 0.00 -0.11 0.13 0.07 -0.12 -0.04 0.03 0.03 -0.07 0.03 0.00 0.05 -0.01 0.01 0.01 -0.02 -0.02 -0.04 0.08 0.04 -0.08 -0.02 0.04 -0.02 -0.00 0.00 0.01 0.01 0.01 0.01 -0.04 -0.00 -0.01 0.03 -0.00 -0.03 0.02 0.01 0.02 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.02 0.00 0.02 -0.05 -0.03 -0.01 -0.01 0.01 0.02 0.00 -0.01 0.09 -0.08 -0.02 -0.17 0.25 0.00 0.06 -0.12 -0.05 0.06 -0.12 0.04 -0.07 0.14 -0.04 -0.07 0.14 0.04 -0.01 0.02 0.02 0.14 -0.19 -0.00 -0.03 0.01 0.01 -0.00 0.04 0.05 -0.01 0.05 0.03 0.02 0.01 -0.06 -0.09 0.05 -0.03 0.05 -0.05 0.04 0.04 -0.07 -0.03 -0.02 0.00 0.01 -0.01 0.02 0.02 0.08 0.06 -0.00 0.05 -0.15 0.00 0.07 -0.06 -0.06 -0.03 -0.00 0.01 0.28 -0.46 -0.02 0.28 -0.43 -0.00 -0.13 0.17 -0.02 -0.14 0.19 0.02 -0.03 0.05 0.02 -0.03 -0.02 0.03 0.05 0.03 -0.00 -0.04 -0.02 -0.11 0.02 0.03 -0.02 -0.02 -0.02 -0.00 -0.01 -0.00 0.01 -0.04 -0.00 -0.02 0.02 -0.00 0.05 0.04 -0.04 -0.00 -0.04 0.09 0.02 -0.04 -0.00 -0.00 0.01 0.03 0.01 -0.03 -0.14 0.11 0.10 0.13 -0.00 0.02 -0.02 0.20 0.01 -0.03 -0.20 0.01 0.05 0.21 0.00 0.04 -0.21 -0.01 0.01 -0.00 -0.15 -0.13 0.00 0.00 0.01 0.00 -0.02 -0.01 -0.10 0.01 -0.13 -0.11 -0.07 -0.01 0.22 0.19 -0.19 -0.02 -0.14 0.07 0.03 -0.01 0.12 0.01 0.11 -0.02 -0.02 0.16 0.00 -0.05 -0.15 -0.13 -0.01 0.07 -0.12 0.09 0.01 -0.23 0.21 0.10 0.06 -0.12 -0.07 -0.23 0.11 -0.09 -0.19 -0.11 0.21 0.10 0.09 0.19 0.12 -0.09 -0.04 -0.03 0.01 0.03 0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.07 -0.01 -0.02 0.04 0.01 -0.04 0.03 0.02 -0.04 0.01 -0.03 0.01 0.02 0.06 0.06 -0.04 0.01 -0.05 0.09 -0.03 0.02 0.00 -0.00 -0.02 0.03 -0.01 0.14 -0.07 -0.09 -0.01 -0.03 0.00 0.00 -0.00 -0.03 -0.01 0.00 0.03 0.01 -0.02 -0.03 -0.00 -0.02 0.03 -0.00 0.01 0.04 0.02 0.03 -0.00 -0.05 0.02 0.02 -0.04 0.05 -0.08 -0.02 -0.24 -0.29 -0.16 -0.02 0.44 0.21 -0.39 -0.18 -0.27 0.06 0.24 -0.09 0.13 -0.02 -0.04 -0.08 0.02 0.19 0.04 0.01 -0.10 -0.09 0.04 0.11 -0.11 -0.08 0.13 -0.05 -0.11 -0.01 -0.01 0.00 -0.03 0.10 -0.02 -0.01 0.06 0.02 -0.05 0.02 -0.01 -0.04 -0.01 0.01 -0.03 0.09 0.03 -0.05 -0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.04 -0.01 -0.01 0.02 0.00 -0.02 0.02 0.01 -0.08 -0.04 -0.02 -0.02 -0.03 0.05 0.02 -0.06 -0.00 -0.05 0.07 -0.03 -0.01 0.02 0.00 0.04 0.05 -0.01 0.07 -0.05 -0.03 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.02 0.00 0.01 -0.01 0.00 -0.00 0.01 0.02 -0.01 0.02 -0.00 -0.02 0.01 0.01 -0.07 -0.08 0.05 -0.04 0.34 0.35 0.33 -0.03 -0.26 0.04 0.27 0.30 0.33 -0.08 -0.33 -0.06 0.15 -0.04 0.04 -0.01 0.01 0.20 0.05 -0.00 -0.03 -0.05 0.01 0.07 -0.09 -0.03 0.08 -0.06 -0.04 0.01 -0.01 0.01 -0.06 0.11 -0.00 -0.03 0.06 0.00 -0.04 0.08 -0.00 -0.02 0.04 0.00 -0.01 0.06 0.01 -0.02 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.01 0.01 -0.01 -0.02 -0.01 0.02 -0.01 0.01 -0.03 -0.00 -0.03 0.02 0.01 0.02 -0.00 -0.00 -0.01 -0.02 0.02 -0.04 0.08 0.00 0.05 -0.09 0.01 0.00 -0.00 -0.01 0.05 -0.09 0.01 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.03 0.05 0.00 0.00 -0.00 0.00 0.01 0.02 0.04 0.00 -0.02 -0.05 -0.01 -0.01 0.02 -0.06 -0.01 -0.07 -0.04 -0.00 0.06 -0.00 -0.07 0.01 -0.00 0.01 0.00 -0.03 0.00 0.01 0.06 0.04 -0.00 -0.00 -0.03 0.02 -0.00 -0.03 0.00 0.01 -0.01 0.03 -0.28 0.56 -0.00 0.02 -0.04 -0.01 -0.31 0.66 0.01 0.02 -0.02 -0.01 0.03 0.06 -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 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 0.04 -0.07 -0.00 -0.02 0.05 -0.07 -0.00 -0.01 0.01 -0.02 0.02 0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.02 0.03 0.00 -0.00 0.01 0.00 0.03 -0.05 -0.01 -0.00 0.01 0.01 0.04 -0.07 -0.01 0.00 0.00 0.00 -0.02 0.03 0.00 -0.00 -0.00 0.00 -0.14 0.16 0.32 -0.06 0.14 -0.09 0.29 -0.13 0.14 -0.26 0.02 -0.28 -0.01 -0.11 0.19 0.01 -0.00 0.01 0.04 0.02 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.03 0.00 0.01 -0.02 0.01 -0.01 -0.03 0.04 0.03 -0.07 0.00 -0.19 0.37 0.01 0.05 -0.08 0.00 -0.22 0.48 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.03 -0.01 -0.02 -0.03 0.07 -0.02 0.00 -0.03 0.07 0.01 -0.03 -0.02 -0.01 0.02 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.02 -0.03 0.05 0.00 0.00 -0.01 -0.00 0.03 -0.05 -0.00 -0.00 0.00 -0.00 0.04 -0.07 0.00 0.01 0.03 -0.01 -0.01 0.04 0.00 0.00 0.00 -0.00 0.15 -0.16 -0.30 0.07 -0.17 0.04 -0.32 0.13 -0.15 0.21 -0.02 0.24 -0.03 0.12 -0.14 0.00 -0.07 -0.02 -0.05 -0.01 0.01 -0.01 0.02 0.04 0.08 0.05 0.01 -0.02 -0.04 0.03 -0.00 -0.00 -0.01 -0.04 -0.03 0.03 0.01 -0.02 -0.00 -0.18 0.35 0.02 -0.00 -0.01 0.00 -0.23 0.49 0.01 -0.08 -0.16 0.06 -0.00 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.03 -0.01 0.00 0.01 0.00 0.02 0.04 -0.02 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.08 -0.15 0.05 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.03 -0.03 -0.05 0.01 -0.03 0.00 -0.06 0.03 -0.03 0.04 -0.00 0.04 -0.01 0.02 -0.02 0.00 -0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.02 0.01 0.00 -0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.02 -0.06 0.00 -0.04 0.08 0.00 0.04 -0.06 0.00 -0.05 0.11 0.00 0.38 0.82 -0.30 0.05 0.10 -0.04 0.00 0.00 -0.00 0.04 0.01 0.09 -0.00 -0.01 -0.01 0.02 0.03 0.03 0.01 0.03 -0.01 0.02 -0.02 0.01 -0.00 -0.00 -0.03 -0.01 0.01 0.02 -0.03 -0.01 -0.01 -0.09 -0.04 -0.01 0.04 0.02 -0.01 -0.04 -0.00 -0.12 -0.02 -0.01 0.00 0.01 -0.00 0.01 0.01 0.00 -0.02 0.01 0.01 0.03 0.02 0.01 -0.03 0.03 0.02 0.01 -0.01 -0.01 0.00 -0.07 -0.13 0.04 0.03 -0.04 0.02 -0.01 -0.00 -0.04 -0.01 -0.00 -0.03 -0.02 0.01 0.01 -0.04 0.03 0.02 -0.02 -0.05 -0.01 0.00 -0.02 0.01 0.12 0.04 0.01 0.03 -0.01 0.02 0.19 0.26 -0.21 -0.02 -0.10 0.22 0.03 0.01 0.10 0.01 0.00 0.01 0.01 0.00 -0.03 0.05 -0.02 0.02 0.06 0.01 -0.01 -0.02 -0.12 0.06 0.30 0.70 -0.26 -0.00 -0.00 0.00 -0.04 -0.01 -0.09 0.01 0.02 0.01 0.00 0.01 -0.04 0.01 0.02 -0.01 -0.02 0.02 -0.03 -0.01 0.01 0.04 0.02 -0.02 -0.02 0.03 0.01 0.02 0.10 0.03 0.02 -0.05 -0.03 0.01 0.04 0.00 0.13 0.02 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.02 -0.03 -0.02 -0.01 0.04 -0.02 0.02 -0.02 0.01 0.01 -0.00 -0.05 -0.13 0.04 -0.04 0.05 -0.02 -0.00 0.02 0.05 0.02 0.01 0.05 0.02 -0.02 -0.02 0.06 -0.05 -0.01 0.04 0.08 0.01 0.01 0.04 -0.02 -0.16 -0.05 -0.02 -0.04 0.01 -0.03 -0.20 -0.27 0.22 0.01 0.11 -0.23 -0.05 -0.01 -0.10 -0.01 -0.00 -0.01 -0.01 -0.01 0.03 -0.06 0.03 -0.02 -0.07 -0.02 0.02 -0.07 -0.06 0.01 0.37 0.65 -0.22 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 -0.01 0.00 -0.01 0.00 -0.02 -0.00 0.01 0.00 -0.05 0.05 0.23 0.15 -0.09 -0.07 -0.13 0.03 -0.09 -0.05 0.01 -0.04 0.01 0.07 -0.02 0.06 0.04 -0.05 0.04 -0.03 0.06 0.02 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.08 -0.11 -0.05 0.23 -0.24 -0.01 -0.12 -0.04 -0.13 0.15 0.01 0.12 -0.26 0.22 -0.26 -0.18 -0.31 0.05 -0.23 -0.13 0.09 0.28 0.16 0.15 0.18 0.05 0.12 -0.05 -0.18 0.10 0.04 -0.01 -0.10 -0.01 -0.01 0.03 -0.01 0.00 -0.01 -0.00 -0.01 0.01 0.04 -0.10 -0.01 0.03 -0.12 0.00 -0.03 0.01 0.00 0.05 0.06 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.08 0.00 -0.01 0.01 -0.01 -0.00 -0.02 -0.00 0.01 0.00 0.15 -0.18 -0.04 -0.06 -0.03 -0.14 -0.04 0.08 0.20 -0.07 0.03 0.01 -0.02 0.03 0.07 0.03 0.06 -0.02 0.06 0.04 0.04 0.01 -0.03 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.02 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.09 -0.13 0.18 -0.20 0.14 -0.37 0.12 -0.07 -0.13 -0.26 0.13 0.07 -0.14 0.13 0.25 -0.21 0.10 0.05 -0.01 -0.10 0.03 0.35 0.08 0.02 -0.04 -0.09 0.08 -0.13 -0.16 0.11 0.06 0.07 -0.20 0.03 -0.02 -0.00 -0.04 0.05 -0.01 -0.02 0.04 -0.00 0.06 -0.11 0.00 0.06 -0.10 -0.00 -0.02 -0.00 0.00 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.02 -0.02 -0.01 0.02 0.03 0.02 -0.01 -0.02 0.00 -0.04 0.00 -0.05 0.06 0.01 0.03 -0.02 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.04 -0.09 -0.00 0.02 -0.04 -0.00 -0.04 0.09 0.01 -0.01 0.04 -0.01 0.00 0.00 0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.02 0.05 -0.05 0.03 0.02 -0.02 -0.01 -0.06 0.06 -0.06 0.02 -0.00 -0.02 0.00 0.01 0.07 -0.01 -0.15 -0.02 0.01 0.13 0.11 -0.03 0.02 -0.06 0.01 0.02 -0.02 -0.02 0.04 -0.03 0.09 -0.28 0.54 -0.01 -0.13 0.24 0.01 0.27 -0.53 0.00 0.13 -0.24 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.09 0.01 -0.14 -0.18 0.11 0.05 0.40 -0.16 0.10 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.02 0.00 0.04 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.03 -0.03 0.01 0.02 0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.07 -0.21 0.01 0.00 -0.00 -0.09 0.12 0.23 -0.00 0.01 -0.00 -0.01 0.02 -0.02 0.03 -0.01 -0.00 0.01 0.01 0.02 -0.02 0.02 -0.01 -0.02 0.01 0.01 -0.02 -0.02 0.01 0.04 0.01 0.00 -0.03 -0.03 0.02 0.13 -0.09 -0.06 -0.05 0.03 0.04 -0.05 -0.01 -0.05 -0.05 0.09 -0.00 -0.00 -0.00 0.00 0.02 -0.08 -0.01 -0.02 0.01 0.01 -0.50 0.17 -0.14 -0.41 0.26 0.08 0.00 0.00 0.00 0.00 0.01 0.03 0.00 0.03 0.01 0.02 -0.01 0.01 -0.02 0.00 -0.01 0.01 -0.01 0.03 0.01 -0.03 -0.03 -0.03 0.00 0.02 0.04 0.06 -0.02 0.10 -0.08 -0.05 -0.07 0.03 0.01 -0.05 -0.01 0.01 0.01 0.06 -0.00 0.04 -0.08 0.01 -0.03 0.06 0.01 -0.04 0.05 -0.02 0.01 -0.07 0.03 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.03 0.08 -0.04 -0.03 0.06 -0.06 0.11 -0.05 -0.01 0.08 -0.00 0.11 -0.08 0.09 -0.07 0.07 0.02 -0.02 0.03 -0.09 -0.00 0.17 -0.01 -0.05 -0.28 -0.20 0.02 -0.00 0.12 -0.03 -0.06 0.00 0.07 -0.08 0.04 -0.15 -0.21 0.42 -0.00 0.19 -0.35 -0.02 0.14 -0.31 -0.03 -0.21 0.32 0.02 0.03 -0.02 -0.00 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.04 0.00 0.02 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.03 0.01 -0.03 -0.02 -0.02 -0.01 0.03 0.06 0.04 -0.03 0.06 -0.02 -0.07 -0.08 0.01 0.02 -0.03 -0.03 0.01 0.00 0.06 -0.00 -0.01 0.01 0.00 0.05 -0.11 0.00 -0.00 -0.02 -0.02 -0.05 0.07 0.03 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.02 0.08 -0.05 -0.04 0.06 -0.08 0.10 -0.05 -0.03 0.06 0.01 0.11 -0.10 0.11 -0.06 0.19 0.00 -0.07 0.07 -0.06 -0.02 0.09 -0.04 -0.07 -0.28 -0.18 -0.02 0.02 0.06 -0.02 -0.04 -0.03 0.08 -0.08 -0.01 -0.05 0.03 -0.06 0.00 -0.33 0.58 0.05 -0.06 0.08 -0.01 0.18 -0.42 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.03 -0.03 -0.07 -0.03 0.02 -0.06 0.12 0.01 0.22 -0.04 0.00 -0.05 0.02 -0.01 -0.03 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.03 0.07 0.09 0.10 0.06 0.01 -0.04 -0.06 -0.07 -0.09 -0.05 0.08 0.05 0.00 -0.02 -0.00 0.06 -0.02 -0.01 -0.07 -0.05 -0.03 -0.11 -0.04 -0.02 0.10 -0.06 0.02 -0.05 0.05 0.02 0.00 0.05 -0.03 -0.04 -0.01 0.03 -0.01 -0.05 0.04 -0.06 0.04 -0.01 0.01 -0.04 0.04 0.01 -0.00 0.01 -0.00 -0.29 0.08 0.16 -0.31 -0.05 0.07 -0.05 0.07 0.14 0.28 0.14 0.10 0.38 -0.06 -0.14 -0.13 -0.04 0.32 0.09 -0.02 0.07 0.04 -0.04 0.08 -0.00 0.01 -0.08 -0.05 0.02 -0.12 0.00 -0.00 0.13 -0.08 0.03 -0.05 -0.21 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 0.04 0.01 -0.03 -0.02 -0.01 0.01 0.01 -0.01 0.01 0.01 0.03 -0.01 0.01 0.01 -0.05 -0.02 -0.00 -0.01 0.06 0.10 0.03 -0.08 -0.12 0.23 -0.09 -0.07 -0.06 0.04 0.02 -0.08 0.02 0.04 -0.06 -0.01 -0.01 0.02 0.01 -0.02 0.05 0.01 0.00 0.00 -0.01 -0.00 -0.03 0.02 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.01 0.05 -0.06 -0.11 0.10 -0.23 0.09 -0.05 -0.14 -0.04 0.08 0.12 -0.18 0.17 -0.03 0.41 -0.01 -0.17 0.11 0.09 -0.06 -0.30 -0.14 -0.09 -0.09 0.03 -0.13 0.12 -0.21 0.03 0.06 -0.16 0.06 0.14 -0.03 0.31 0.03 -0.06 0.02 0.14 -0.25 -0.01 0.02 0.01 -0.02 -0.08 0.09 0.01 -0.03 0.03 0.02 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 0.02 0.03 -0.01 0.03 -0.08 -0.01 -0.14 0.02 0.00 0.03 -0.02 -0.01 0.00 0.01 0.01 0.01 0.02 0.00 -0.01 -0.05 -0.02 -0.01 -0.02 -0.01 -0.02 0.03 0.02 0.02 -0.01 0.01 0.00 0.02 0.00 -0.01 -0.05 -0.03 0.24 -0.06 -0.03 -0.24 -0.02 -0.01 -0.17 -0.01 -0.01 0.17 0.07 -0.02 0.05 0.13 0.06 -0.00 -0.04 0.02 0.02 0.02 -0.11 0.07 0.04 -0.07 0.01 -0.11 0.04 -0.06 -0.10 0.03 -0.08 0.01 -0.03 0.06 0.03 0.01 -0.04 0.14 0.06 -0.03 -0.01 -0.02 -0.05 -0.03 -0.00 -0.04 -0.09 0.11 0.00 0.02 -0.04 -0.00 -0.02 0.00 0.00 0.16 0.07 0.37 0.13 0.08 -0.37 0.17 0.08 -0.30 0.19 0.08 0.29 0.13 -0.04 0.05 0.14 -0.03 0.10 -0.00 -0.00 0.00 0.01 0.02 0.04 -0.03 0.00 -0.00 0.09 0.01 0.16 -0.01 -0.01 -0.04 -0.04 -0.01 0.02 0.03 0.02 0.01 0.03 0.00 -0.01 -0.09 -0.05 -0.07 -0.03 -0.05 -0.05 0.04 0.06 0.07 0.08 0.03 0.04 -0.02 -0.03 -0.01 -0.01 -0.00 0.04 -0.01 0.00 -0.03 0.02 0.01 0.00 0.01 0.00 0.00 -0.12 0.03 -0.10 0.02 0.01 -0.00 0.06 -0.03 -0.02 0.04 -0.20 0.15 0.10 -0.14 0.04 -0.21 0.08 -0.15 -0.16 0.05 -0.12 -0.02 -0.03 0.10 0.20 -0.00 -0.17 0.41 0.12 -0.08 0.02 -0.07 -0.16 -0.23 -0.10 -0.13 -0.13 -0.16 0.11 0.11 0.04 -0.24 -0.08 0.02 -0.08 0.02 0.03 0.06 0.05 0.00 -0.07 0.07 0.02 -0.03 0.03 0.02 0.02 -0.27 0.08 -0.09 -0.15 0.03 -0.12 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.03 -0.00 -0.00 -0.01 0.03 -0.01 0.00 -0.04 0.00 -0.09 -0.09 0.06 0.02 0.04 -0.00 -0.01 -0.05 0.02 0.01 -0.02 0.00 -0.00 0.03 0.01 0.01 -0.02 -0.02 0.00 -0.01 0.00 0.03 -0.01 -0.00 -0.03 0.01 0.00 -0.00 0.01 0.00 0.00 -0.02 0.00 -0.02 0.01 0.01 0.00 0.01 -0.01 -0.00 0.01 0.04 -0.08 0.12 -0.02 0.35 0.24 -0.13 0.45 0.43 -0.33 0.08 0.36 -0.26 0.02 0.09 -0.09 -0.01 -0.01 -0.03 0.00 0.02 -0.00 -0.01 -0.06 -0.04 -0.01 -0.02 -0.06 0.03 0.04 -0.00 -0.06 0.02 -0.01 0.05 0.03 0.00 0.05 0.03 0.01 -0.05 0.03 0.02 -0.02 0.04 0.02 0.02 -0.05 0.02 -0.01 -0.02 0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.02 0.00 0.04 0.00 -0.00 -0.01 0.03 0.06 -0.01 -0.02 -0.03 0.08 0.01 -0.06 -0.03 0.11 -0.00 0.03 -0.10 -0.07 0.06 -0.06 -0.02 -0.05 0.07 0.07 0.00 -0.09 -0.05 0.00 -0.01 -0.01 0.06 -0.02 -0.01 -0.06 0.03 0.02 0.02 0.04 0.02 -0.03 -0.04 0.01 -0.04 0.04 0.02 0.00 0.02 -0.01 -0.00 -0.05 0.32 -0.24 -0.25 0.26 -0.29 0.13 -0.02 -0.10 0.07 0.06 0.11 -0.19 0.19 -0.22 0.01 -0.17 0.09 -0.27 -0.17 0.05 0.14 0.06 0.09 0.03 -0.04 0.10 -0.14 -0.04 0.06 0.10 0.06 -0.22 0.02 -0.00 0.02 0.07 0.05 0.12 0.05 0.04 -0.12 0.09 0.04 -0.01 0.13 0.06 0.02 -0.11 0.03 -0.03 -0.04 0.01 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.07 0.04 -0.10 0.09 -0.08 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 0.08 0.08 0.20 -0.10 0.51 0.16 -0.08 0.40 -0.29 0.24 -0.02 -0.40 0.34 -0.09 -0.01 -0.08 0.03 -0.05 -0.03 0.01 0.04 0.03 0.03 0.01 -0.01 0.03 -0.02 -0.01 0.01 0.01 -0.01 -0.02 0.00 -0.00 0.02 0.00 0.00 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.01 -0.00 -0.01 -0.00 -0.03 -0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.02 0.02 0.03 0.04 -0.04 -0.05 -0.02 -0.00 0.05 -0.00 0.07 -0.07 0.04 -0.04 0.09 0.01 -0.06 0.04 -0.01 0.02 -0.03 -0.05 -0.01 0.01 -0.06 -0.03 0.04 -0.08 -0.04 -0.05 0.02 0.01 0.10 0.04 0.02 -0.11 0.02 -0.00 0.02 0.24 0.12 0.00 -0.01 0.01 -0.00 -0.03 0.01 0.11 0.10 -0.08 0.06 0.04 -0.04 -0.04 0.07 -0.02 0.12 -0.14 0.11 0.01 0.01 0.33 -0.11 0.07 0.16 -0.04 -0.34 -0.10 -0.03 0.09 0.13 -0.10 0.07 -0.01 -0.04 -0.06 0.10 0.04 -0.02 0.02 -0.09 -0.18 -0.08 -0.02 -0.24 -0.13 0.05 -0.27 -0.13 0.31 -0.17 -0.07 -0.26 0.05 -0.02 0.02 -0.04 0.01 -0.01 -0.02 -0.01 0.00 0.01 0.00 0.04 0.00 0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.02 -0.04 -0.03 -0.05 0.05 0.05 0.02 0.01 -0.06 0.00 -0.07 0.09 0.01 0.08 -0.13 -0.01 0.07 -0.03 -0.01 -0.04 0.03 0.05 0.00 -0.02 -0.05 -0.02 0.03 -0.03 -0.01 -0.00 0.01 0.01 0.06 -0.02 -0.01 -0.04 -0.01 0.00 -0.01 0.16 0.08 -0.02 0.01 -0.00 0.01 0.06 -0.08 -0.12 -0.09 0.07 -0.04 -0.06 0.05 0.06 -0.13 0.04 -0.16 0.19 -0.16 0.02 -0.03 -0.36 0.13 -0.06 -0.18 0.04 0.38 0.10 0.03 -0.13 -0.16 0.11 -0.02 -0.01 0.03 0.02 -0.10 0.04 0.04 -0.00 0.10 -0.21 -0.13 -0.07 -0.11 -0.10 0.06 -0.14 -0.07 0.18 -0.31 -0.14 -0.23 -0.01 0.00 -0.01 0.06 -0.02 0.03 0.00 0.00 -0.00 -0.02 -0.01 -0.06 -0.02 -0.01 -0.04 0.01 -0.00 0.01 -0.01 0.01 0.02 -0.01 -0.00 0.02 -0.02 0.03 0.02 0.02 -0.01 -0.04 0.05 -0.10 -0.07 -0.02 0.04 0.16 -0.03 0.08 0.03 -0.02 0.03 -0.03 0.06 0.01 0.06 0.04 0.02 -0.04 -0.04 -0.01 -0.03 -0.06 -0.03 -0.04 0.04 0.02 -0.02 0.05 -0.01 0.04 0.00 0.00 0.04 -0.02 0.01 -0.01 0.01 -0.01 -0.02 0.00 0.01 0.07 -0.08 0.05 -0.04 -0.03 -0.00 -0.07 -0.03 0.01 -0.03 0.16 -0.22 -0.08 0.21 -0.11 -0.02 0.28 -0.00 -0.11 -0.32 -0.23 0.01 0.16 -0.16 -0.03 -0.09 0.13 0.05 0.06 -0.00 0.05 0.17 0.08 0.02 -0.25 -0.19 0.13 -0.32 -0.16 0.13 0.25 0.13 0.11 0.15 -0.06 0.02 -0.06 0.02 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.04 -0.06 -0.00 0.00 0.03 -0.01 0.02 -0.01 0.02 -0.02 0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.25 0.27 0.57 0.11 -0.05 0.29 -0.16 0.09 -0.37 0.30 -0.27 -0.02 -0.20 0.16 -0.02 0.01 -0.01 0.01 -0.04 -0.05 0.01 0.07 0.03 0.02 -0.03 -0.04 0.03 0.01 -0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 0.05 -0.05 -0.02 -0.01 0.04 0.02 -0.02 0.05 0.02 -0.02 -0.05 -0.03 -0.02 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.02 0.00 -0.06 0.01 -0.00 0.02 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.02 -0.04 -0.04 0.00 0.00 0.09 -0.01 0.03 0.02 -0.02 0.02 -0.02 -0.02 -0.01 -0.03 -0.06 -0.03 0.02 0.06 0.03 0.01 0.06 0.03 0.03 -0.05 -0.02 0.02 0.05 -0.01 0.04 -0.00 -0.00 -0.03 -0.02 0.01 -0.01 0.04 -0.04 -0.09 -0.01 0.01 -0.02 -0.00 0.00 0.04 -0.04 0.04 -0.01 0.01 -0.01 -0.02 0.03 -0.05 -0.04 0.11 -0.02 -0.01 0.07 -0.02 -0.05 -0.12 -0.08 -0.00 0.17 -0.23 -0.01 -0.14 0.21 0.04 -0.03 -0.02 -0.01 -0.31 -0.16 -0.13 0.35 0.21 -0.18 0.36 0.18 -0.17 -0.32 -0.16 -0.15 0.19 -0.08 0.02 -0.09 0.03 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.03 0.00 -0.02 0.02 0.03 -0.07 0.01 -0.07 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.02 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.04 -0.12 -0.00 -0.00 0.00 0.06 0.03 0.18 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.01 0.02 -0.00 -0.02 -0.01 -0.00 0.01 0.01 -0.01 0.10 -0.11 -0.02 -0.00 0.02 -0.02 -0.02 -0.01 -0.01 0.02 0.02 0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.04 0.02 0.02 0.56 -0.34 -0.21 0.50 -0.10 0.40 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.03 -0.01 0.00 -0.01 0.00 -0.01 -0.01 0.12 0.11 -0.01 -0.06 -0.04 0.03 -0.02 -0.04 -0.02 -0.13 -0.06 -0.04 -0.03 -0.02 0.03 0.06 0.00 0.07 0.01 0.01 -0.01 0.14 0.06 0.01 -0.01 -0.00 -0.02 0.03 0.01 0.00 -0.02 -0.01 -0.03 -0.05 -0.02 0.03 -0.02 0.01 -0.02 0.01 0.01 0.00 0.01 -0.00 0.00 0.09 0.20 -0.09 -0.21 0.26 -0.06 0.22 -0.10 0.08 0.27 -0.16 0.10 -0.20 0.20 -0.20 -0.23 -0.21 0.01 0.29 0.16 -0.05 -0.10 -0.08 -0.08 0.02 0.08 -0.10 -0.09 0.12 -0.01 0.09 -0.14 0.01 0.00 0.01 -0.01 -0.21 -0.13 -0.15 -0.07 -0.04 0.07 -0.05 -0.02 -0.02 -0.16 -0.08 -0.03 -0.08 0.03 -0.01 0.05 -0.02 0.02 0.00 0.00 0.00 -0.01 -0.00 -0.04 0.02 -0.01 0.08 -0.02 0.01 -0.02 0.00 -0.01 -0.04 -0.07 -0.03 0.02 0.07 0.05 -0.03 -0.02 -0.02 0.02 0.10 -0.01 -0.03 -0.08 -0.03 0.13 -0.04 0.01 -0.02 0.03 0.02 -0.05 0.11 0.06 0.02 -0.02 -0.01 -0.01 0.04 0.02 -0.01 -0.01 -0.01 -0.03 -0.04 -0.02 0.02 -0.06 0.01 -0.05 0.01 0.00 0.01 0.03 -0.01 0.02 -0.12 0.02 0.11 0.14 -0.20 -0.09 -0.14 0.06 0.09 -0.16 0.18 0.09 0.14 -0.11 -0.02 0.09 0.24 -0.06 -0.08 -0.09 0.01 0.06 0.01 -0.01 -0.05 -0.04 0.03 -0.19 0.33 -0.06 0.22 -0.32 0.02 0.11 -0.02 0.16 -0.22 -0.12 -0.14 0.03 0.02 0.00 0.00 0.01 -0.04 -0.21 -0.10 -0.07 -0.23 0.09 -0.03 0.20 -0.06 0.11 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 0.01 0.05 -0.00 -0.04 0.06 0.09 0.00 -0.09 -0.10 0.00 -0.04 -0.01 -0.00 0.01 0.01 -0.03 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.16 0.25 0.42 0.01 -0.13 -0.37 -0.09 0.06 0.40 -0.08 0.21 0.30 0.19 -0.10 -0.36 -0.01 -0.11 0.00 0.06 0.03 -0.01 0.00 -0.02 -0.02 -0.00 0.01 -0.02 0.05 -0.10 0.02 -0.05 0.08 -0.00 -0.03 0.00 -0.04 0.05 0.03 0.03 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.04 0.02 0.02 0.06 -0.03 0.01 -0.05 0.02 -0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.05 0.02 0.02 0.05 0.02 -0.03 -0.04 -0.02 0.02 -0.04 -0.02 -0.02 -0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.04 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 0.02 0.40 0.21 0.24 0.39 0.23 -0.27 -0.38 -0.19 0.25 -0.35 -0.18 -0.22 -0.03 0.02 0.00 0.03 -0.01 0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.07 -0.05 -0.05 -0.07 0.06 0.06 -0.02 -0.03 -0.10 0.02 -0.00 0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.02 -0.01 -0.02 -0.02 0.06 0.03 0.02 -0.00 0.01 0.02 -0.06 0.01 0.01 -0.06 -0.03 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.01 0.01 0.02 0.01 -0.01 0.04 0.00 0.05 -0.00 -0.00 -0.00 0.03 -0.01 0.00 0.04 -0.04 0.03 -0.04 0.04 -0.01 -0.01 0.01 0.03 0.01 -0.02 -0.02 -0.01 0.01 -0.05 -0.05 -0.02 -0.00 0.07 0.00 -0.01 0.01 -0.01 -0.03 -0.05 -0.03 -0.00 0.04 0.05 -0.01 -0.10 0.09 0.04 0.03 -0.00 0.04 0.01 -0.00 0.01 0.02 0.01 -0.02 0.09 0.05 -0.04 0.08 0.04 0.03 -0.56 0.32 0.14 0.57 -0.19 0.26 -0.00 -0.00 -0.00 -0.03 -0.01 -0.04 -0.01 0.08 0.17 0.02 -0.04 -0.08 0.04 -0.01 0.01 0.06 -0.00 0.05 -0.04 0.02 0.02 -0.02 -0.02 -0.05 0.01 -0.06 -0.07 0.18 0.15 0.08 -0.02 0.03 0.05 0.02 -0.12 -0.06 -0.16 -0.09 0.00 -0.04 -0.01 -0.01 -0.03 -0.01 0.01 0.04 0.02 0.04 0.05 0.02 -0.04 -0.10 0.02 -0.07 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.13 -0.13 0.08 -0.08 0.10 -0.00 -0.04 0.02 0.08 0.04 -0.05 -0.04 -0.04 0.04 -0.13 -0.22 0.11 -0.01 0.20 0.01 -0.02 0.06 -0.05 -0.10 -0.13 -0.04 -0.04 -0.02 0.48 -0.15 0.05 -0.19 0.12 0.12 -0.04 0.22 0.09 0.02 0.06 0.13 0.07 -0.10 0.21 0.11 -0.07 0.17 0.08 0.03 0.03 -0.04 -0.09 -0.17 0.04 -0.10 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.12 0.08 -0.11 0.10 -0.06 -0.05 0.03 0.03 0.13 -0.04 -0.11 0.02 0.04 0.04 -0.00 0.02 0.04 0.02 -0.01 -0.02 -0.00 -0.03 -0.03 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.33 0.55 -0.38 0.17 -0.19 -0.02 0.16 -0.07 -0.15 -0.01 0.10 0.19 0.04 -0.03 0.25 -0.19 -0.19 0.07 0.13 -0.03 -0.00 0.08 0.00 -0.04 -0.06 -0.05 0.02 0.03 0.04 -0.02 -0.04 0.03 0.02 0.02 -0.01 0.04 0.03 -0.00 0.01 0.03 0.01 -0.03 0.03 0.01 -0.00 0.04 0.02 0.01 -0.05 0.03 0.01 0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.10 -0.09 -0.11 0.13 -0.09 -0.07 -0.11 0.00 -0.15 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 0.02 0.03 0.00 -0.00 0.01 0.01 -0.05 0.03 0.05 -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 -0.01 0.02 0.00 0.03 0.00 0.00 0.01 -0.03 0.11 0.28 -0.02 0.03 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.09 -0.00 0.02 0.03 -0.01 -0.00 0.02 -0.01 -0.02 -0.02 -0.00 -0.00 -0.22 0.30 0.04 0.06 -0.12 -0.02 -0.01 -0.00 0.01 0.02 0.00 0.01 0.00 0.00 -0.00 0.03 0.02 -0.02 0.01 0.00 -0.00 -0.15 0.09 0.06 -0.70 0.34 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.01 0.03 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.03 -0.00 -0.00 0.01 0.01 0.01 0.01 -0.05 0.08 0.03 0.04 0.03 -0.02 0.01 -0.02 -0.02 0.00 -0.01 -0.00 -0.03 -0.02 0.33 -0.17 -0.08 -0.15 0.14 0.07 -0.16 0.15 0.08 -0.15 -0.14 -0.07 -0.17 -0.01 0.00 0.00 0.01 0.00 0.35 -0.00 -0.00 -0.01 -0.02 -0.01 0.02 -0.00 -0.02 -0.00 0.02 -0.00 -0.03 -0.02 0.01 -0.02 0.02 -0.01 0.04 0.41 -0.44 -0.04 -0.08 0.04 -0.00 -0.03 0.03 0.07 0.07 0.04 -0.01 0.08 -0.06 -0.01 0.00 -0.01 0.00 -0.14 0.02 -0.25 0.13 0.09 0.03 -0.07 -0.04 -0.03 0.09 0.05 -0.11 -0.01 -0.01 -0.10 -0.03 0.02 0.01 0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.02 -0.01 0.01 0.01 -0.00 0.01 0.02 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.00 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.10 -0.02 -0.01 -0.01 0.02 0.01 -0.01 -0.04 -0.02 0.01 0.03 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.09 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.02 -0.00 0.02 -0.01 0.01 -0.01 -0.02 0.14 -0.02 0.01 -0.02 0.00 0.02 0.00 -0.01 -0.01 -0.01 0.02 -0.04 0.11 -0.00 -0.03 0.06 -0.06 0.07 0.01 0.08 0.38 0.19 0.23 -0.37 -0.21 0.25 0.34 0.17 -0.24 -0.38 -0.18 -0.25 0.04 -0.02 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.03 0.08 0.15 0.03 -0.04 -0.08 0.04 -0.07 -0.14 -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.01 0.00 0.01 -0.04 0.07 0.01 -0.03 -0.02 0.06 0.01 -0.02 -0.02 0.02 -0.03 -0.07 0.02 0.01 -0.06 0.02 0.01 0.02 -0.01 -0.00 0.01 -0.04 -0.02 0.02 0.03 0.01 0.03 -0.05 0.05 0.07 -0.00 -0.00 -0.02 0.02 0.01 0.06 -0.01 -0.04 0.04 0.00 -0.02 -0.01 0.02 -0.00 -0.03 -0.02 0.01 -0.01 0.00 -0.00 0.03 0.39 -0.41 -0.06 -0.06 0.04 -0.00 -0.05 0.03 0.06 0.05 0.01 0.01 0.30 -0.35 -0.06 -0.20 0.31 0.09 -0.10 0.01 -0.17 0.04 0.03 0.03 -0.09 -0.05 0.07 0.08 0.04 -0.06 -0.12 -0.06 -0.06 -0.25 0.16 0.11 -0.06 0.04 0.02 0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 0.04 0.02 -0.01 -0.01 -0.02 0.02 -0.03 -0.06 0.02 0.06 0.02 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.11 0.03 -0.05 -0.02 -0.07 0.00 0.03 -0.03 0.03 -0.05 0.01 0.02 0.00 0.04 -0.01 -0.00 -0.00 0.02 0.01 -0.01 0.03 0.01 -0.02 -0.03 -0.02 -0.01 -0.01 0.02 0.05 -0.00 -0.00 0.02 0.03 -0.01 0.02 0.07 -0.03 0.01 -0.02 0.04 -0.02 0.03 -0.02 0.05 0.06 -0.02 0.05 -0.03 0.03 -0.05 -0.03 0.73 -0.08 -0.04 -0.10 0.01 0.06 0.04 0.01 -0.01 -0.08 0.09 0.07 -0.04 -0.01 -0.25 0.44 -0.07 0.09 -0.02 0.18 -0.04 -0.03 -0.02 0.02 0.00 -0.01 -0.11 -0.05 0.06 0.07 0.03 0.05 -0.02 0.03 0.06 -0.06 0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.02 -0.02 -0.01 0.02 -0.01 0.01 -0.02 0.02 0.04 0.01 0.06 -0.02 -0.00 -0.02 -0.00 -0.01 -0.01 0.01 -0.11 -0.07 0.06 0.05 0.04 0.04 -0.02 -0.00 -0.07 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.01 0.02 0.01 0.01 0.01 0.01 -0.02 -0.05 0.00 0.00 -0.03 -0.04 0.01 -0.01 0.06 -0.03 0.03 -0.03 0.02 -0.03 0.07 -0.04 0.02 0.05 -0.02 0.05 -0.04 0.03 -0.01 0.78 0.21 -0.25 -0.02 -0.05 -0.05 0.19 0.11 0.12 0.18 0.05 0.15 -0.06 0.10 -0.00 0.07 -0.15 0.05 -0.08 0.01 -0.15 -0.06 -0.01 -0.03 0.04 0.02 -0.02 0.03 0.01 -0.01 0.02 0.01 0.01 -0.04 0.01 -0.05 0.05 -0.01 0.04 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.04 0.01 -0.00 0.04 -0.02 0.01 -0.03 0.03 0.06 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.05 -0.01 -0.04 -0.01 0.02 0.02 -0.01 -0.00 0.04 -0.11 0.03 0.02 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.03 -0.05 -0.09 0.00 0.00 -0.02 -0.06 0.03 -0.01 -0.00 -0.04 0.03 0.00 -0.03 -0.01 0.02 -0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.01 0.02 0.09 -0.28 0.01 -0.07 0.02 0.02 -0.11 0.01 0.03 -0.05 -0.07 -0.01 -0.14 0.48 -0.05 -0.36 0.60 -0.15 0.06 -0.01 0.13 -0.07 -0.04 -0.04 0.01 0.00 -0.00 -0.04 -0.02 0.03 0.02 0.01 0.03 -0.13 0.04 -0.08 0.09 -0.02 0.07 -0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.03 -0.02 -0.10 -0.13 0.07 0.02 0.04 -0.04 -0.06 -0.01 0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 0.04 0.00 0.03 -0.00 0.05 -0.00 -0.01 -0.01 0.03 -0.05 0.04 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.06 0.08 0.13 0.00 0.00 -0.02 0.17 -0.08 0.01 0.00 -0.03 0.03 0.00 -0.02 -0.01 0.03 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.02 0.31 -0.28 -0.06 -0.01 0.04 -0.02 0.01 0.03 0.05 0.05 0.03 0.01 -0.19 0.53 -0.03 -0.01 0.06 -0.19 0.09 -0.02 0.17 -0.06 -0.03 -0.03 0.03 0.02 -0.02 0.00 0.00 0.00 0.02 0.01 0.02 0.40 -0.17 0.07 -0.24 0.05 -0.21 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.10 0.07 0.01 0.02 0.00 0.01 0.01 -0.01 -0.02 0.02 -0.02 -0.02 0.01 -0.00 -0.08 -0.05 0.01 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 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.19 0.43 -0.29 0.01 0.11 0.11 -0.21 0.06 0.03 -0.11 -0.05 -0.18 0.10 0.00 -0.11 -0.03 0.11 -0.03 0.35 0.18 -0.18 0.33 0.02 0.09 0.28 0.27 0.06 -0.00 0.09 -0.01 -0.06 0.11 -0.05 -0.07 0.01 -0.14 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.01 0.01 0.02 -0.01 0.01 0.00 0.00 0.00 -0.04 0.04 -0.02 0.04 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.02 0.03 -0.05 0.04 0.01 0.01 0.00 0.01 0.01 -0.00 -0.07 0.02 -0.01 0.06 -0.08 -0.01 0.05 -0.00 -0.00 -0.03 0.04 -0.01 -0.01 0.00 -0.02 -0.03 -0.01 0.01 0.03 0.01 0.01 0.03 0.01 0.00 -0.03 -0.01 0.00 -0.01 -0.00 -0.02 -0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.12 0.29 -0.20 -0.01 0.08 0.05 -0.11 0.03 0.02 -0.07 -0.03 -0.10 0.06 0.01 -0.08 0.23 -0.01 -0.10 -0.19 0.06 0.06 -0.11 0.01 0.02 -0.10 -0.07 -0.10 0.09 -0.21 0.01 0.01 -0.03 0.06 0.34 -0.04 0.65 0.05 0.04 0.06 -0.05 -0.02 0.06 -0.05 -0.03 0.07 0.06 0.03 0.06 0.00 -0.02 -0.03 -0.04 0.01 -0.01 0.00 0.00 0.00 -0.01 0.02 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.06 -0.05 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.03 0.01 -0.00 0.01 -0.04 0.01 -0.09 -0.03 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.07 -0.07 -0.03 0.02 0.08 0.04 0.01 0.07 0.04 0.01 -0.07 -0.04 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.05 -0.01 0.00 0.00 0.13 -0.32 0.21 0.02 -0.10 -0.05 0.15 -0.04 -0.03 0.06 0.02 0.09 -0.04 -0.01 0.07 -0.08 -0.16 0.06 0.39 0.06 -0.17 0.30 0.01 0.06 0.26 0.22 0.16 0.05 -0.07 -0.00 -0.00 0.00 -0.01 0.13 -0.01 0.23 0.13 0.07 0.15 -0.15 -0.08 0.17 -0.14 -0.07 0.16 0.13 0.06 0.15 -0.02 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.03 0.03 -0.01 0.03 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.02 0.03 -0.03 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.00 0.03 -0.06 -0.06 -0.06 -0.02 -0.00 -0.01 0.02 0.00 0.00 0.01 0.10 0.09 0.04 -0.02 -0.09 -0.05 -0.02 -0.09 -0.04 -0.02 0.09 0.04 -0.02 -0.01 -0.00 -0.02 0.00 0.00 0.08 -0.00 0.00 0.01 0.07 -0.17 0.12 0.01 -0.07 -0.03 0.09 -0.02 -0.02 0.02 -0.00 0.04 -0.01 -0.00 0.03 -0.02 -0.09 0.03 0.27 0.08 -0.13 0.21 0.02 0.07 0.19 0.16 0.11 0.06 -0.16 0.02 -0.05 0.08 0.03 0.24 -0.04 0.48 -0.18 -0.08 -0.19 0.17 0.10 -0.21 0.16 0.08 -0.19 -0.16 -0.07 -0.19 -0.01 -0.01 -0.02 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.02 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.04 -0.04 -0.03 0.00 -0.01 -0.05 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.01 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.01 0.02 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.02 0.03 -0.09 0.45 0.14 -0.43 0.02 0.20 0.16 0.25 0.33 -0.17 -0.14 0.41 0.04 -0.04 0.00 -0.05 -0.07 0.04 0.09 -0.09 -0.15 0.04 0.13 -0.10 -0.11 0.02 0.02 0.02 -0.02 0.06 0.04 -0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.02 0.03 0.04 -0.01 0.02 0.00 0.00 0.00 0.01 -0.01 0.01 0.20 -0.09 0.06 -0.07 0.03 -0.02 -0.01 0.02 0.05 -0.00 -0.00 -0.01 0.02 -0.02 -0.01 0.00 -0.01 -0.02 0.02 -0.01 0.00 -0.03 0.01 0.01 -0.00 0.00 0.00 -0.10 0.03 0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.12 0.03 -0.08 -0.00 -0.00 -0.00 0.05 -0.02 0.01 0.00 -0.01 0.01 -0.04 0.20 0.07 -0.20 0.01 0.09 0.07 0.11 0.15 -0.08 -0.06 0.18 -0.05 0.03 0.01 0.02 -0.01 -0.00 0.02 -0.01 -0.01 0.01 0.00 0.01 0.62 -0.05 -0.11 -0.13 0.16 -0.36 -0.12 0.01 -0.23 -0.01 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.12 -0.10 -0.13 -0.16 0.05 -0.10 0.00 0.00 0.00 0.01 -0.01 0.00 0.08 -0.02 0.01 -0.05 0.02 -0.00 -0.02 0.02 0.02 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.03 0.00 -0.06 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.04 -0.01 -0.00 0.00 0.06 -0.02 0.01 -0.01 0.03 -0.02 -0.00 0.02 0.01 -0.02 0.01 0.00 0.01 0.02 0.02 -0.01 -0.01 0.03 -0.02 -0.01 0.00 0.13 -0.16 -0.02 -0.13 -0.01 -0.03 0.08 -0.04 0.19 -0.53 -0.25 0.10 -0.17 0.21 0.64 -0.03 0.01 -0.09 0.01 0.02 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 0.02 -0.04 -0.05 -0.12 0.03 -0.08 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.02 0.04 -0.03 0.03 -0.03 -0.02 -0.00 0.00 0.04 0.03 -0.03 0.01 -0.00 0.01 0.00 0.00 -0.05 0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.00 0.04 -0.12 0.08 -0.03 0.15 0.02 -0.13 -0.01 0.07 -0.05 -0.10 -0.09 0.05 0.06 -0.13 -0.04 0.00 0.02 -0.25 0.58 -0.03 0.35 0.13 0.26 -0.25 0.00 -0.39 -0.14 -0.06 0.03 -0.05 0.05 0.17 -0.02 0.01 -0.05 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.04 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.02 -0.02 0.02 -0.01 0.02 0.01 -0.00 -0.01 -0.05 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.01 -0.02 -0.04 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.06 -0.03 -0.00 -0.03 -0.01 0.03 0.01 -0.01 0.10 0.17 0.19 -0.10 -0.11 0.26 -0.06 0.01 -0.01 0.17 0.35 -0.15 -0.21 0.30 0.51 -0.12 -0.37 0.29 -0.01 0.01 0.00 0.04 -0.06 -0.01 0.01 0.00 0.01 0.04 0.02 0.02 0.03 0.01 -0.01 0.03 0.01 -0.01 0.03 0.01 0.02 0.01 -0.00 0.01 0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.03 0.04 -0.04 0.06 -0.05 -0.03 0.00 0.00 0.08 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.02 0.00 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.02 -0.01 0.02 -0.02 -0.01 -0.02 -0.00 0.01 0.01 0.02 0.01 -0.00 -0.02 0.01 -0.00 0.03 -0.11 0.07 -0.07 0.41 0.09 -0.37 -0.00 0.17 -0.14 -0.21 -0.23 0.13 0.14 -0.32 -0.05 -0.08 0.02 0.19 -0.15 -0.05 -0.27 0.08 0.11 0.04 -0.20 0.34 0.03 0.02 -0.00 0.03 -0.05 -0.05 0.01 -0.00 0.02 0.06 0.03 0.02 0.05 0.03 -0.02 0.06 0.03 -0.03 0.06 0.03 0.03 0.02 -0.01 0.01 0.03 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.11 0.05 -0.00 -0.06 -0.03 -0.09 -0.04 -0.02 0.09 -0.10 -0.05 0.11 -0.10 -0.05 -0.10 -0.00 0.00 -0.00 0.11 0.05 -0.01 0.01 -0.00 0.00 -0.00 0.02 -0.01 0.02 -0.10 -0.02 0.09 -0.00 -0.04 0.02 0.03 0.03 -0.02 -0.02 0.05 0.00 0.02 -0.00 -0.07 -0.01 0.03 0.10 -0.07 -0.10 0.01 0.11 -0.13 -0.04 -0.04 0.01 -0.04 0.06 0.05 -0.01 -0.01 0.00 0.39 0.20 0.16 0.33 0.18 -0.15 0.38 0.18 -0.19 0.37 0.18 0.19 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.11 0.07 0.07 -0.11 0.04 -0.04 -0.15 0.09 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 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.24 -0.15 -0.09 0.00 0.00 -0.00 0.24 -0.10 0.06 0.00 -0.00 0.00 -0.01 0.03 0.00 -0.02 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.04 -0.02 -0.01 -0.08 0.03 0.04 0.00 -0.06 0.08 0.26 -0.02 -0.06 0.09 -0.12 -0.20 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 0.01 -0.51 0.25 -0.00 -0.45 0.13 -0.28 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.36 0.13 0.06 0.22 -0.08 -0.04 0.22 0.06 0.03 -0.22 -0.12 -0.06 -0.24 -0.00 0.00 -0.00 0.02 0.01 0.37 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.02 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.04 -0.02 0.01 -0.03 -0.01 -0.01 -0.00 -0.01 -0.35 -0.18 -0.06 0.29 0.16 -0.01 -0.25 -0.12 -0.04 0.31 0.15 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.20 -0.10 0.04 0.27 0.13 0.07 0.27 0.14 -0.12 -0.24 -0.12 0.08 -0.22 -0.11 -0.04 -0.00 0.00 0.00 0.12 0.06 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 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 0.01 -0.02 0.02 0.00 0.00 -0.01 -0.31 -0.15 -0.28 -0.31 -0.17 0.28 0.21 0.10 -0.23 0.17 0.08 0.21 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.08 -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 -0.03 -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 0.29 0.13 0.94 -0.01 -0.01 -0.04 -0.00 0.05 -0.03 0.03 -0.03 -0.02 -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.03 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.03 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.04 0.16 0.09 0.49 -0.02 0.55 -0.33 0.35 -0.34 -0.24 0.01 0.01 0.03 -0.07 -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.04 0.02 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.04 -0.03 -0.11 0.00 0.08 -0.05 -0.10 0.09 0.07 0.14 0.13 0.68 -0.57 -0.33 -0.07 0.00 0.00 0.00 0.02 0.01 -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 -0.08 0.02 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.08 0.03 -0.03 -0.01 -0.05 -0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.03 -0.05 -0.06 -0.18 -0.00 0.60 -0.36 -0.41 0.38 0.30 -0.04 -0.04 -0.22 0.04 0.02 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.03 -0.02 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.05 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.02 -0.01 -0.45 -0.17 0.16 0.11 0.56 0.08 -0.12 -0.13 0.14 0.10 0.14 0.07 -0.02 -0.01 -0.04 -0.16 -0.09 -0.45 -0.00 0.15 -0.08 0.15 -0.14 -0.10 -0.01 -0.01 -0.05 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 0.02 -0.03 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.09 -0.05 -0.02 -0.32 -0.13 0.11 0.09 0.46 0.07 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.02 0.01 0.05 0.20 0.12 0.58 0.00 -0.13 0.06 -0.30 0.28 0.19 0.01 0.01 0.05 0.02 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.01 0.01 0.00 -0.06 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.19 0.10 0.03 0.11 0.05 -0.04 -0.03 -0.14 -0.02 -0.40 -0.44 0.48 0.30 0.41 0.22 0.01 0.00 0.02 0.05 0.03 0.15 0.00 -0.03 0.02 -0.05 0.05 0.04 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.06 -0.04 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -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 0.01 -0.02 -0.02 -0.06 -0.00 0.11 -0.07 -0.01 0.01 0.01 0.12 0.11 0.63 0.63 0.37 0.06 -0.00 -0.00 0.00 0.05 0.02 -0.10 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.04 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.83 0.45 0.15 -0.14 -0.06 0.05 0.01 0.05 0.00 0.06 0.07 -0.07 -0.09 -0.13 -0.07 0.01 0.00 0.03 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.01 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 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.03 0.02 -0.07 -0.00 -0.00 0.00 0.01 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.03 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.02 0.11 0.05 0.03 0.00 0.00 -0.00 -0.00 -0.41 -0.20 0.85 -0.00 -0.00 -0.01 -0.10 -0.05 -0.20 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 0.03 0.02 -0.07 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.20 -0.09 -0.37 0.00 0.00 0.00 -0.39 -0.20 0.78 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.04 -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.10 -0.05 0.20 0.03 0.01 0.05 0.45 0.21 0.83 -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 -0.06 -0.07 0.01 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 0.04 0.02 0.00 0.60 0.22 -0.21 0.09 0.55 0.08 -0.13 -0.15 0.17 -0.20 -0.27 -0.16 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.03 -0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -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 -0.04 -0.02 -0.07 0.00 0.00 0.00 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.42 0.18 0.77 -0.03 -0.01 -0.05 -0.19 -0.10 0.37 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.03 0.01 -0.05 -0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.09 0.05 0.02 0.30 0.11 -0.11 0.05 0.29 0.05 0.27 0.30 -0.34 0.37 0.52 0.30 0.00 0.00 0.00 0.01 0.00 0.02 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.04 0.00 0.00 0.00 0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 0.13 0.11 0.49 -0.23 0.37 0.73 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.07 0.00 0.00 0.00 -0.01 0.02 0.04 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 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 0.21 0.19 0.80 0.14 -0.22 -0.44 0.00 0.00 0.00 0.03 -0.05 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.45 0.81 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 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 291.11384 0.99475 -0.10224 -0.00475 0.10223 0.99475 -0.00418 0.00515 0.00367 0.99998 asymmetric 1 0.01665 0.01305 0.00844 0.34686 0.27194 0.17578 817167.4 29.61 45.23 57.69 82.26 95.66 106.93 172.18 196.03 240.42 264.80 295.58 336.96 384.46 416.49 452.88 467.46 475.65 493.82 524.68 576.67 605.94 663.10 712.11 732.97 788.24 873.95 902.52 931.07 955.16 972.53 995.48 1045.75 1065.22 1101.94 1124.35 1157.50 1199.52 1218.02 1226.20 1230.13 1297.83 1299.75 1307.97 1347.46 1385.13 1402.26 1417.93 1432.44 1464.83 1469.26 1484.82 1501.49 1505.42 1526.02 1538.48 1588.03 1596.68 1623.12 1644.04 1656.47 1680.36 1691.19 1716.17 1720.90 1752.01 1771.53 1791.84 1808.80 1885.66 1890.32 1914.65 1919.13 1935.07 1958.83 1967.25 1990.17 2019.85 2048.34 2050.14 2058.13 2116.02 2118.44 2142.29 2168.19 2184.06 2187.14 2189.54 2210.87 2317.69 2352.22 4316.60 4384.10 4434.35 4462.83 4489.40 4497.10 4501.69 4513.82 4520.72 4548.45 4592.69 4600.30 4603.41 4618.40 4629.00 4673.66 4680.08 5235.33 0.311243 0.329503 0.330447 0.262748 -1282.043381 -1282.025121 -1282.024176 -1282.091875 206.766 70.635 142.484 0.000 0.000 0.000 0.889 2.981 42.903 0.889 2.981 34.227 204.989 64.673 65.354 1 0.593 1.986 6.577 2 0.594 1.983 5.737 3 0.594 1.981 5.254 4 0.596 1.975 4.553 5 0.598 1.970 4.255 6 0.599 1.966 4.035 7 0.609 1.933 3.106 8 0.614 1.917 2.856 9 0.624 1.883 2.468 10 0.631 1.862 2.287 11 0.640 1.832 2.084 12 0.654 1.789 1.847 13 0.672 1.733 1.614 14 0.686 1.693 1.477 15 0.702 1.645 1.337 16 0.709 1.626 1.285 17 0.713 1.614 1.257 18 0.722 1.589 1.197 19 0.738 1.545 1.102 20 0.767 1.468 0.960 21 0.784 1.424 0.888 22 0.819 1.337 0.764 23 0.851 1.261 0.671 24 0.865 1.229 0.635 25 0.903 1.144 0.549 26 0.966 1.016 0.437 0.202307e+23 22.306011 51.361489 0.153745e+08 7.186801 16.548220 0.100000e+01 0.000000 0.000000 0.195231e+09 8.290548 19.089693 0.674004e+07 6.828662 15.723576 12 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1282.3546233 5.02E-9 6.306E-6 0.3112426 0.3295026 -1282.0251207 -1282.0241765 -1282.0918754 -5.0048939,-4.7949709,9.7998648,-3.2213975,-4.4142482,0.6620756 C01 [X(C15H18Cl1N3O1)] -0.9009527 -0.1289249 0.866872 -0.8535736 0.2508236 -0.0317798 0.240838 -0.141426 0.0097797 -0.0270739 0.0080051 -0.0846175 -0.6422337 0.0410835 -0.0820151 0.004048 -0.6849356 0.1042092 -0.1294823 0.1131848 -0.6755643 -0.3424388 -0.2634495 0.1112791 -0.2184772 -0.4284018 0.0486102 0.2135993 0.180869 -0.1301773 -0.3742096 -0.1619517 -0.131495 -0.0872813 -0.3697341 -0.0099767 -0.2622123 -0.2814216 -0.2411594 -0.4264971 -0.2454573 0.0057986 -0.1383775 -0.523448 0.0619884 0.0557296 0.2045018 -0.4821232 -0.0643524 -0.1029669 -0.0515718 -0.0816346 0.0110575 -0.0836383 -0.0907764 -0.0810691 0.0437005 -0.004533 -0.1279447 0.0521188 -0.1579314 -0.0805112 0.0266005 0.1119153 0.110096 0.0105555 0.1260736 0.0488886 -0.0449187 0.0225475 0.0912405 -0.0028535 -0.0218321 -0.0078317 -0.1318774 0.0991439 0.0167025 -0.0133415 0.15054 0.1240259 0.0606534 -0.0866521 -0.0316762 0.1271242 0.4764848 -0.108043 0.1219315 -0.1250985 0.4525283 -0.0615256 0.2398752 -0.0694115 0.4454262 -0.0719276 0.0207498 -0.0152198 -0.0629497 0.023632 -0.0062936 0.0583698 0.0086635 0.061364 0.2578453 0.2344118 -0.0711788 0.1241456 0.3470928 -0.1057614 -0.1250179 -0.1108044 0.1494025 0.0518804 -0.0256694 -0.0182457 -0.0409655 -0.1063369 0.0027896 -0.0119079 0.0056475 -0.1188056 -0.051033 -0.0259577 -0.0422322 -0.0277714 -0.1263741 0.0091347 0.0024817 -0.0125309 0.0287758 -0.0777617 0.0021732 0.056486 -0.0002246 -0.0989398 -0.0076236 -0.0272197 0.0246387 0.0081732 -0.2575451 0.0524734 0.0707684 0.0506906 -0.1213606 -0.0126908 0.084483 -0.0220383 0.0369587 -0.228221 0.0417163 -0.1174907 0.0452282 -0.1012196 0.0334975 -0.0823508 0.0247228 0.0371748 0.3860763 0.4364362 -0.0309827 0.2289596 0.3742313 -0.0777428 -0.0414969 -0.0325853 0.1534494 1.2097402 -0.3875209 0.0506122 -0.3720482 0.0854865 -0.0150588 0.0240623 -0.0018884 0.0380467 0.2109925 0.0976299 0.0923601 0.100474 0.1151145 -0.0792528 0.1022862 -0.1128748 0.4579504 -0.0897373 0.0370821 -0.0433243 0.0874652 -0.0033558 -0.0362574 -0.0521859 -0.0575359 0.011131 -0.0994617 -0.0145852 0.0594 0.0377757 0.0395832 0.0074332 0.0634157 0.0333885 0.0546025 0.0229994 0.0452755 0.0021189 -0.022074 -0.1339262 0.0525933 0.0146069 0.0321706 0.0690101 0.0137927 0.0642632 0.0961624 0.0530533 0.0240803 -0.0379628 0.0378407 -0.0370333 -0.0389975 0.0216924 0.0629258 -0.0198226 0.0842339 0.038679 0.0762537 -0.0070935 0.0302492 0.0076242 -0.007399 -0.0032293 -0.0678921 -0.0152487 -0.0188735 -0.0337808 -0.0829308 -0.030516 -0.1402315 0.0389513 0.0113133 -0.0099666 0.0229777 0.082026 0.0015031 -0.08926 0.0127416 -0.0586648 0.0697059 0.039342 -0.0079558 0.0661774 -0.1269908 -0.0998708 0.0001952 -0.1085137 0.0192081 -0.0749975 -0.0748073 0.0369385 -0.1223644 -0.0291653 0.0807303 0.0494051 0.0667503 0.0409149 0.062133 -0.042583 -0.0590431 -0.0487603 0.0412625 0.0258711 -0.0077614 0.0355732 -0.0625489 -0.0736412 -0.0025898 0.0244368 0.0895295 -0.0070021 0.0118642 -0.0139575 0.0273528 0.0643464 0.3044611 0.0385016 0.0425507 0.0592006 0.5332887 -0.0128783 0.0416962 0.0035702 0.2582537 0.0140474 0.038797 0.08118 0.0409614 0.1097755 -0.0318864 0.0941876 -0.0370824 -0.0203462 0.0913714 0.0055822 -0.0463129 0.0141776 0.1230436 0.012529 -0.0348754 0.0121788 0.0140912 0.0448629 0.0274493 -0.0505803 0.022697 0.124614 0.009657 -0.0518778 0.0134768 -0.0051409 0.0375583 0.0313867 0.0498685 0.0281606 0.120003 -0.017434 0.0531107 -0.0206099 0.0071585 0.1022226 -0.0226256 -0.0041111 -0.0272024 0.1388328 0.06119 -0.0011271 0.0645511 0.0295422 0.0975281 -0.0356263 0.00547 -0.0254717 0.1024035 0.0356002 -0.000169 0.0430912 0.0162699 240.2037014|2.613532|189.2821823|0.9844018|-2.715545|180.3470778 -0.000016874 0.000004111 -0.000000835 0.000001658 -0.000005262 0.000008229 -0.000016952 0.000001915 -0.000006624 -0.000011410 -0.000010289 -0.000006359 0.000006137 0.000012035 0.000007757 0.000005987 -0.000002457 0.000003098 -0.000012168 0.000021409 -0.000001178 0.000010636 -0.000010846 -0.000001099 -0.000003653 -0.000005990 0.000005788 0.000004296 0.000009567 -0.000012945 0.000002609 0.000002445 -0.000000371 -0.000002338 -0.000001880 0.000003033 0.000005325 0.000005636 0.000004337 0.000004779 -0.000005497 -0.000001023 0.000001603 -0.000005840 -0.000000732 -0.000015191 0.000002407 -0.000006274 -0.000012469 0.000003205 0.000003955 0.000016891 -0.000004679 0.000003322 0.000025259 -0.000007225 -0.000000120 0.000004526 -0.000003148 0.000002285 -0.000001484 0.000000735 0.000002647 -0.000002322 -0.000009759 0.000003825 0.000002473 -0.000001057 0.000000364 -0.000004115 0.000002578 -0.000005561 -0.000002109 0.000001932 0.000000938 0.000005162 0.000001156 -0.000002748 0.000000925 0.000000476 0.000001423 0.000001326 0.000003094 -0.000001956 0.000000281 -0.000002322 0.000000855 -0.000000160 0.000002835 -0.000002553 -0.000002508 -0.000001343 -0.000000206 0.000002938 -0.000000361 0.000001196 0.000001566 -0.000001174 -0.000000095 -0.000000410 0.000002715 -0.000000451 0.000001038 0.000000449 0.000001113 -0.000000033 -0.000000220 -0.000002016 -0.000000351 0.000001651 -0.000002998 -0.000000869 -0.000001001 0.000001978 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 4-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RR/gas/CONF12/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction cyproconazole_RR CONF12 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 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 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 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 576 A 556 A 556 881 576 77 77 1718.8911430214 38 38 38 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 -0.0460139528 0.000000 6.746255 0.000000 6.476245 2.966953 0.000000 6.877772 2.845140 1.360164 0.000000 6.346475 4.784999 2.194505 2.258302 0.000000 6.501611 2.969929 5.010472 5.477762 6.894173 0.000000 7.703342 4.122292 6.404874 6.811703 8.358271 1.511990 0.000000 7.226294 3.116980 5.777433 5.918343 7.613343 1.506057 1.510257 0.000000 6.799331 2.400819 3.858914 4.506028 5.916276 1.528920 2.685308 2.664870 0.000000 6.089924 1.421739 2.491046 3.026076 4.462422 2.531803 3.926598 3.353507 1.564444 0.000000 8.310616 2.884297 4.423634 4.941396 6.609952 2.569386 3.056297 3.170487 1.534632 2.568525 0.000000 6.748403 2.419226 1.456676 2.441835 3.618536 3.904916 5.211296 4.805570 2.563142 1.555810 3.047502 0.000000 4.554429 2.446944 2.869700 3.433686 4.251355 2.906373 4.413755 3.816164 2.547698 1.535499 3.918135 2.511775 0.000000 4.018591 3.751620 3.398763 4.300219 4.499063 3.532526 4.973697 4.737078 3.143070 2.553206 4.575224 3.047846 1.399817 0.000000 4.023798 2.778410 3.597515 3.700630 4.510593 3.519518 4.906260 3.982705 3.599072 2.549273 4.900636 3.614533 1.394060 2.398670 0.000000 2.727599 4.878972 4.413526 5.196248 4.966749 4.519744 5.876043 5.620232 4.430151 3.841225 5.911734 4.346143 2.433745 1.391317 2.785496 0.000000 2.729067 4.170790 4.567802 4.705957 4.974026 4.510596 5.820348 4.996872 4.767937 3.838206 6.170322 4.763306 2.428184 2.779040 1.393819 2.418752 0.000000 6.138080 4.200920 1.348155 2.206929 1.322426 5.972336 7.426940 6.864223 4.878698 3.563109 5.589909 2.546548 3.467018 3.560698 4.106669 4.258849 4.725832 0.000000 1.759320 5.032544 4.900739 5.355628 5.177455 4.926881 6.245449 5.721785 5.094660 4.330610 6.587311 5.047346 2.795113 2.398088 2.401935 1.391733 1.389379 4.781857 0.000000 6.765141 4.052594 2.098474 1.325242 1.357281 6.571383 7.966877 7.047138 5.660747 4.134485 6.215059 3.491165 4.164463 4.816513 4.228830 5.435913 4.915450 2.095592 5.467199 0.000000 5.557710 3.472516 5.158786 5.696357 6.827050 1.084590 2.189306 2.188878 2.184639 2.834145 3.508202 4.213381 2.605946 2.973901 3.106166 3.717252 3.825379 5.929171 4.080256 6.641160 0.000000 8.659355 4.468870 6.694670 7.122759 8.766291 2.249905 1.082738 2.228116 2.917260 4.311211 2.735925 5.393311 5.078972 5.633038 5.712908 6.660573 6.730776 7.783482 7.144558 8.350328 3.102132 0.000000 7.682217 5.040981 7.234202 7.684352 9.099336 2.229097 1.083834 2.241004 3.550916 4.758460 4.070875 6.075597 4.979883 5.363380 5.374714 6.068368 6.080270 8.163906 6.391855 8.778292 2.451577 1.816295 0.000000 6.865384 3.624735 6.283735 6.315658 7.924222 2.228914 2.244131 1.083559 3.529439 3.954568 4.216543 5.486211 4.069536 4.997903 3.884504 5.654725 4.692099 7.290729 5.512485 7.334828 2.460991 3.114228 2.552378 0.000000 7.924616 2.770561 5.630368 5.606947 7.518919 2.224223 2.231408 1.081994 2.855934 3.377456 2.919396 4.689605 4.165474 5.252812 4.329894 6.255524 5.498197 6.834972 6.349121 6.804778 3.084507 2.516601 3.122425 1.817782 0.000000 6.656061 3.323844 4.043937 4.958907 6.013694 2.120805 3.174355 3.517478 1.097783 2.149609 2.140777 2.722086 2.763177 2.833576 4.014915 4.100665 4.997864 4.842284 5.021454 6.002197 2.414271 3.373034 3.837275 4.318883 3.870740 0.000000 8.679679 2.574836 4.630974 4.846439 6.772714 2.878608 3.221349 2.950802 2.180496 2.829980 1.090535 3.435140 4.240716 5.155033 4.978902 6.459406 6.319872 5.910424 6.946755 6.164515 3.901581 2.895515 4.302373 3.959616 2.345231 3.060977 0.000000 8.698017 3.267532 4.078411 4.703029 6.258196 3.515548 4.114919 4.222842 2.188297 2.833062 1.091843 2.707231 4.253036 4.789264 5.358033 6.174237 6.629755 5.197153 6.964074 5.943669 4.340579 3.746955 5.095693 5.243659 3.915025 2.474156 1.762840 0.000000 8.898150 3.885795 5.444629 6.024442 7.626591 2.800454 2.784402 3.369087 2.171174 3.516733 1.090981 4.026474 4.713225 5.210133 5.703610 6.491488 6.898675 6.551363 7.228004 7.287714 3.747889 2.151875 3.697898 4.444262 3.242715 2.487114 1.774960 1.750694 0.000000 6.705470 3.367355 2.064533 3.315454 3.933037 4.153413 5.433324 5.299215 2.772355 2.200863 3.338029 1.089981 2.824961 2.839432 4.113350 4.117245 5.086780 2.663361 5.076107 4.151768 4.339444 5.589099 6.203747 6.010055 5.335996 2.479571 4.000767 2.887531 4.132806 0.000000 7.810736 2.595767 2.070840 2.712473 4.196002 4.270238 5.379137 4.997983 2.841012 2.175689 2.735586 1.088956 3.455212 4.089935 4.470119 5.416166 5.710919 3.245060 6.094491 3.878922 4.805529 5.361452 6.342124 5.794211 4.674008 3.140070 2.985135 2.139599 3.729174 1.773603 0.000000 6.821976 0.972346 2.498313 2.012676 4.091588 3.906768 5.092876 4.040102 3.235177 1.958377 3.646053 2.436218 2.757863 4.043913 2.917205 5.090481 4.242453 3.714101 5.156252 3.201358 4.308515 5.428914 5.998626 4.445910 3.639207 4.043144 3.308365 3.810340 4.700578 3.491908 2.593668 0.000000 4.858018 4.141304 3.505739 4.635647 4.781329 3.694545 5.040373 5.072470 3.024782 2.762147 4.312175 2.900476 2.161793 1.084647 3.389565 2.130431 3.863423 3.640821 3.372302 5.219744 3.282426 5.540857 5.453764 5.512475 5.558807 2.379503 5.074638 4.372008 4.847225 2.329219 3.864131 4.484792 0.000000 4.875185 2.379614 3.831859 3.580730 4.797038 3.654443 4.904186 3.718443 3.807816 2.734766 4.889674 3.877790 2.140586 3.379262 1.081576 3.866953 2.146233 4.547578 3.381992 4.205494 3.480865 5.667529 5.459996 3.548344 3.862968 4.470640 4.727938 5.405882 5.736211 4.597619 4.537499 2.444552 4.286222 0.000000 2.862564 5.854061 5.124049 6.033708 5.530286 5.267772 6.540914 6.472002 5.141556 4.709599 6.590029 5.038676 3.416280 2.157114 3.867976 1.082497 3.397322 4.782222 2.149569 6.189994 4.429983 7.288594 6.640023 6.535509 7.158993 4.615716 7.248083 6.784132 7.078432 4.604699 6.100530 6.074159 2.459572 4.949407 0.000000 2.864644 4.786818 5.358498 5.272763 5.541859 5.254206 6.452419 5.491844 5.652113 4.705527 6.997942 5.668028 3.409477 3.861589 2.157078 3.397225 1.082562 5.505180 2.146676 5.363528 4.590550 7.402406 6.659640 5.006253 5.956379 5.981415 7.027053 7.507819 7.731362 6.084622 6.559972 4.782234 4.945910 2.481571 4.287170 0.000000 6.044136 4.854436 2.135692 3.234870 2.147843 6.158647 7.602186 7.231729 5.040981 3.944412 5.817830 2.886914 3.725180 3.407057 4.549377 4.015956 5.026549 1.078780 4.783395 3.152308 6.027049 7.949175 8.267195 7.692154 7.316128 4.764749 6.314797 5.378688 6.675977 2.569108 3.650740 4.528776 3.252846 5.174618 4.311763 5.898223 0.000000 7.253048 4.656687 3.138317 2.103767 2.150980 7.325334 8.679809 7.634788 6.516754 4.978052 7.022610 4.473139 4.981385 5.725798 4.801733 6.242142 5.396688 3.137815 6.080833 1.079083 7.404433 9.081861 9.493074 7.834630 7.325570 6.951313 6.843380 6.795112 8.109012 5.201998 4.766529 3.728383 6.218587 4.607995 7.026926 5.651257 4.165340 0.000000 C15H18ClN3O 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3468644 0.2719412 0.1757829 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= 556 RedAO= T EigKep= 1.12D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 7.20D-07 NBFU= 554 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= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.35462325142 -1282.35462325145 -0.000000000030 -1282.35462325 2 1.277726361865e+03 -6.443341276121e+03 2.164415161935e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830476003 LenY= 2830143651 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. PT1175.100S Sun Jul 4 01:18:49 2021 GINC-BELVIS5 PAULAPLA 04-Jul-2021 0 Wavefunction cyproconazole_RR CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1282.3546233 RMSD=6.799e-09 Dipole=-0.9009527,-0.1289252,0.8668712 Quadrupole=-5.0048941,-4.7949734,9.7998675,-3.2214017,-4.4142494,0.6620758 PG=C01 [X(C15H18Cl1N3O1)] 0 4.3922726647 -1.6292771442 0.263916558 0 -1.8773552769 0.3276852224 -1.2768687723 0 -0.6031100756 2.4921811556 0.3023928431 0 -0.6464248643 2.877909579 -1.0012108344 0 1.1308632089 3.8102227485 0.0341481703 0 -2.0733583885 -2.2936707672 0.1053585738 0 -3.1005177639 -3.3977307503 -0.0046876544 0 -2.5917235622 -2.7061838774 -1.2471715604 0 -2.3548666434 -0.9210978495 0.7172359121 0 -1.4271903989 0.1538744619 0.0604731922 0 -3.832307241 -0.5085210458 0.6719997198 0 -1.5553826097 1.5124896279 0.8076517268 0 0.039504839 -0.2979760444 0.109396657 0 0.6946897078 -0.4749253402 1.3336965896 0 0.7506770519 -0.5483025824 -1.0631965724 0 2.0234698364 -0.8832566229 1.3917554663 0 2.0831537333 -0.9554778057 -1.0251808878 0 0.4717352821 3.0514240784 0.8935578032 0 2.710073865 -1.1175821545 0.2040742539 0 0.4129998431 3.6667775641 -1.1087903074 0 -1.0714287683 -2.6452475466 0.3264153689 0 -4.1229201412 -3.2025058753 0.2934786354 0 -2.7689417608 -4.4094160705 0.1984050621 0 -1.9184475522 -3.2418188218 -1.9058787277 0 -3.2602872518 -2.0246730684 -1.7563637757 0 -2.0582782645 -0.9827287252 1.7723967585 0 -4.1748332585 -0.3811294069 -0.355479194 0 -4.0061522719 0.4312920467 1.1998740689 0 -4.4529007492 -1.2609893841 1.160768937 0 -1.3702036077 1.3972247808 1.8755849553 0 -2.5580175843 1.9121283024 0.6632972718 0 -1.5378818725 1.1775684406 -1.6053712956 0 0.168832457 -0.3066493803 2.2673003205 0 0.2515066568 -0.4364876887 -2.016157108 0 2.5218787397 -1.0186350287 2.3431022638 0 2.6281219427 -1.1465740251 -1.9408408016 0 0.727295216 2.879830396 1.9274871722 0 0.6671842958 4.1526678436 -2.038156358 Gaussian 16 4-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RR/gas/CONF12/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum cyproconazole_RR CONF12 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 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 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 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 576 A 556 A 556 881 576 77 77 1718.8911430214 38 38 38 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 -0.0460139528 0.000000 6.746255 0.000000 6.476245 2.966953 0.000000 6.877772 2.845140 1.360164 0.000000 6.346475 4.784999 2.194505 2.258302 0.000000 6.501611 2.969929 5.010472 5.477762 6.894173 0.000000 7.703342 4.122292 6.404874 6.811703 8.358271 1.511990 0.000000 7.226294 3.116980 5.777433 5.918343 7.613343 1.506057 1.510257 0.000000 6.799331 2.400819 3.858914 4.506028 5.916276 1.528920 2.685308 2.664870 0.000000 6.089924 1.421739 2.491046 3.026076 4.462422 2.531803 3.926598 3.353507 1.564444 0.000000 8.310616 2.884297 4.423634 4.941396 6.609952 2.569386 3.056297 3.170487 1.534632 2.568525 0.000000 6.748403 2.419226 1.456676 2.441835 3.618536 3.904916 5.211296 4.805570 2.563142 1.555810 3.047502 0.000000 4.554429 2.446944 2.869700 3.433686 4.251355 2.906373 4.413755 3.816164 2.547698 1.535499 3.918135 2.511775 0.000000 4.018591 3.751620 3.398763 4.300219 4.499063 3.532526 4.973697 4.737078 3.143070 2.553206 4.575224 3.047846 1.399817 0.000000 4.023798 2.778410 3.597515 3.700630 4.510593 3.519518 4.906260 3.982705 3.599072 2.549273 4.900636 3.614533 1.394060 2.398670 0.000000 2.727599 4.878972 4.413526 5.196248 4.966749 4.519744 5.876043 5.620232 4.430151 3.841225 5.911734 4.346143 2.433745 1.391317 2.785496 0.000000 2.729067 4.170790 4.567802 4.705957 4.974026 4.510596 5.820348 4.996872 4.767937 3.838206 6.170322 4.763306 2.428184 2.779040 1.393819 2.418752 0.000000 6.138080 4.200920 1.348155 2.206929 1.322426 5.972336 7.426940 6.864223 4.878698 3.563109 5.589909 2.546548 3.467018 3.560698 4.106669 4.258849 4.725832 0.000000 1.759320 5.032544 4.900739 5.355628 5.177455 4.926881 6.245449 5.721785 5.094660 4.330610 6.587311 5.047346 2.795113 2.398088 2.401935 1.391733 1.389379 4.781857 0.000000 6.765141 4.052594 2.098474 1.325242 1.357281 6.571383 7.966877 7.047138 5.660747 4.134485 6.215059 3.491165 4.164463 4.816513 4.228830 5.435913 4.915450 2.095592 5.467199 0.000000 5.557710 3.472516 5.158786 5.696357 6.827050 1.084590 2.189306 2.188878 2.184639 2.834145 3.508202 4.213381 2.605946 2.973901 3.106166 3.717252 3.825379 5.929171 4.080256 6.641160 0.000000 8.659355 4.468870 6.694670 7.122759 8.766291 2.249905 1.082738 2.228116 2.917260 4.311211 2.735925 5.393311 5.078972 5.633038 5.712908 6.660573 6.730776 7.783482 7.144558 8.350328 3.102132 0.000000 7.682217 5.040981 7.234202 7.684352 9.099336 2.229097 1.083834 2.241004 3.550916 4.758460 4.070875 6.075597 4.979883 5.363380 5.374714 6.068368 6.080270 8.163906 6.391855 8.778292 2.451577 1.816295 0.000000 6.865384 3.624735 6.283735 6.315658 7.924222 2.228914 2.244131 1.083559 3.529439 3.954568 4.216543 5.486211 4.069536 4.997903 3.884504 5.654725 4.692099 7.290729 5.512485 7.334828 2.460991 3.114228 2.552378 0.000000 7.924616 2.770561 5.630368 5.606947 7.518919 2.224223 2.231408 1.081994 2.855934 3.377456 2.919396 4.689605 4.165474 5.252812 4.329894 6.255524 5.498197 6.834972 6.349121 6.804778 3.084507 2.516601 3.122425 1.817782 0.000000 6.656061 3.323844 4.043937 4.958907 6.013694 2.120805 3.174355 3.517478 1.097783 2.149609 2.140777 2.722086 2.763177 2.833576 4.014915 4.100665 4.997864 4.842284 5.021454 6.002197 2.414271 3.373034 3.837275 4.318883 3.870740 0.000000 8.679679 2.574836 4.630974 4.846439 6.772714 2.878608 3.221349 2.950802 2.180496 2.829980 1.090535 3.435140 4.240716 5.155033 4.978902 6.459406 6.319872 5.910424 6.946755 6.164515 3.901581 2.895515 4.302373 3.959616 2.345231 3.060977 0.000000 8.698017 3.267532 4.078411 4.703029 6.258196 3.515548 4.114919 4.222842 2.188297 2.833062 1.091843 2.707231 4.253036 4.789264 5.358033 6.174237 6.629755 5.197153 6.964074 5.943669 4.340579 3.746955 5.095693 5.243659 3.915025 2.474156 1.762840 0.000000 8.898150 3.885795 5.444629 6.024442 7.626591 2.800454 2.784402 3.369087 2.171174 3.516733 1.090981 4.026474 4.713225 5.210133 5.703610 6.491488 6.898675 6.551363 7.228004 7.287714 3.747889 2.151875 3.697898 4.444262 3.242715 2.487114 1.774960 1.750694 0.000000 6.705470 3.367355 2.064533 3.315454 3.933037 4.153413 5.433324 5.299215 2.772355 2.200863 3.338029 1.089981 2.824961 2.839432 4.113350 4.117245 5.086780 2.663361 5.076107 4.151768 4.339444 5.589099 6.203747 6.010055 5.335996 2.479571 4.000767 2.887531 4.132806 0.000000 7.810736 2.595767 2.070840 2.712473 4.196002 4.270238 5.379137 4.997983 2.841012 2.175689 2.735586 1.088956 3.455212 4.089935 4.470119 5.416166 5.710919 3.245060 6.094491 3.878922 4.805529 5.361452 6.342124 5.794211 4.674008 3.140070 2.985135 2.139599 3.729174 1.773603 0.000000 6.821976 0.972346 2.498313 2.012676 4.091588 3.906768 5.092876 4.040102 3.235177 1.958377 3.646053 2.436218 2.757863 4.043913 2.917205 5.090481 4.242453 3.714101 5.156252 3.201358 4.308515 5.428914 5.998626 4.445910 3.639207 4.043144 3.308365 3.810340 4.700578 3.491908 2.593668 0.000000 4.858018 4.141304 3.505739 4.635647 4.781329 3.694545 5.040373 5.072470 3.024782 2.762147 4.312175 2.900476 2.161793 1.084647 3.389565 2.130431 3.863423 3.640821 3.372302 5.219744 3.282426 5.540857 5.453764 5.512475 5.558807 2.379503 5.074638 4.372008 4.847225 2.329219 3.864131 4.484792 0.000000 4.875185 2.379614 3.831859 3.580730 4.797038 3.654443 4.904186 3.718443 3.807816 2.734766 4.889674 3.877790 2.140586 3.379262 1.081576 3.866953 2.146233 4.547578 3.381992 4.205494 3.480865 5.667529 5.459996 3.548344 3.862968 4.470640 4.727938 5.405882 5.736211 4.597619 4.537499 2.444552 4.286222 0.000000 2.862564 5.854061 5.124049 6.033708 5.530286 5.267772 6.540914 6.472002 5.141556 4.709599 6.590029 5.038676 3.416280 2.157114 3.867976 1.082497 3.397322 4.782222 2.149569 6.189994 4.429983 7.288594 6.640023 6.535509 7.158993 4.615716 7.248083 6.784132 7.078432 4.604699 6.100530 6.074159 2.459572 4.949407 0.000000 2.864644 4.786818 5.358498 5.272763 5.541859 5.254206 6.452419 5.491844 5.652113 4.705527 6.997942 5.668028 3.409477 3.861589 2.157078 3.397225 1.082562 5.505180 2.146676 5.363528 4.590550 7.402406 6.659640 5.006253 5.956379 5.981415 7.027053 7.507819 7.731362 6.084622 6.559972 4.782234 4.945910 2.481571 4.287170 0.000000 6.044136 4.854436 2.135692 3.234870 2.147843 6.158647 7.602186 7.231729 5.040981 3.944412 5.817830 2.886914 3.725180 3.407057 4.549377 4.015956 5.026549 1.078780 4.783395 3.152308 6.027049 7.949175 8.267195 7.692154 7.316128 4.764749 6.314797 5.378688 6.675977 2.569108 3.650740 4.528776 3.252846 5.174618 4.311763 5.898223 0.000000 7.253048 4.656687 3.138317 2.103767 2.150980 7.325334 8.679809 7.634788 6.516754 4.978052 7.022610 4.473139 4.981385 5.725798 4.801733 6.242142 5.396688 3.137815 6.080833 1.079083 7.404433 9.081861 9.493074 7.834630 7.325570 6.951313 6.843380 6.795112 8.109012 5.201998 4.766529 3.728383 6.218587 4.607995 7.026926 5.651257 4.165340 0.000000 C15H18ClN3O 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3468644 0.2719412 0.1757829 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= 556 RedAO= T EigKep= 1.12D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 7.20D-07 NBFU= 554 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= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.35462325142 -1282.35462325145 -0.000000000032 -1282.35462325 2 1.277726361865e+03 -6.443341276121e+03 2.164415161935e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830476003 LenY= 2830143651 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 5.0671 244.68 0.0057 0.000 76 78 0.21954 76 79 -0.24853 77 78 0.49645 77 79 0.33591 -1282.16841032 2 Singlet-A 5.5440 223.64 0.1115 0.000 76 78 0.18503 77 78 -0.36115 77 79 0.50782 77 80 0.22961 3 Singlet-A 5.6542 219.28 0.0396 0.000 76 78 -0.15902 77 78 0.17449 77 80 0.64745 4 Singlet-A 5.7580 215.33 0.0009 0.000 77 81 0.66815 77 82 -0.17320 5 Singlet-A 5.8697 211.23 0.0081 0.000 72 78 0.12116 74 78 0.59202 75 78 -0.20717 76 78 0.27421 6 Singlet-A 5.9433 208.61 0.0042 0.000 74 78 0.14588 75 78 0.65742 76 78 0.19524 7 Singlet-A 6.0106 206.28 0.0047 0.000 72 79 0.13230 74 79 0.55478 75 79 -0.20895 76 79 0.31348 8 Singlet-A 6.0818 203.86 0.0113 0.000 71 79 0.24329 71 80 0.55658 71 81 -0.17982 74 80 -0.17796 75 79 -0.19692 9 Singlet-A 6.0989 203.29 0.0099 0.000 71 80 0.14269 74 79 0.10841 75 79 0.60202 76 79 0.23529 10 Singlet-A 6.1829 200.53 0.0076 0.000 74 79 -0.22491 75 79 -0.15019 76 79 0.22690 76 80 0.57044 PT36711.500S Sun Jul 4 01:59:56 2021 GINC-BELVIS5 PAULAPLA 04-Jul-2021 0 Electronic spectrum cyproconazole_RR CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1282.3546233 RMSD=6.792e-09 PG=C01 [X(C15H18Cl1N3O1)] 0 4.3922726647 -1.6292771442 0.263916558 0 -1.8773552769 0.3276852224 -1.2768687723 0 -0.6031100756 2.4921811556 0.3023928431 0 -0.6464248643 2.877909579 -1.0012108344 0 1.1308632089 3.8102227485 0.0341481703 0 -2.0733583885 -2.2936707672 0.1053585738 0 -3.1005177639 -3.3977307503 -0.0046876544 0 -2.5917235622 -2.7061838774 -1.2471715604 0 -2.3548666434 -0.9210978495 0.7172359121 0 -1.4271903989 0.1538744619 0.0604731922 0 -3.832307241 -0.5085210458 0.6719997198 0 -1.5553826097 1.5124896279 0.8076517268 0 0.039504839 -0.2979760444 0.109396657 0 0.6946897078 -0.4749253402 1.3336965896 0 0.7506770519 -0.5483025824 -1.0631965724 0 2.0234698364 -0.8832566229 1.3917554663 0 2.0831537333 -0.9554778057 -1.0251808878 0 0.4717352821 3.0514240784 0.8935578032 0 2.710073865 -1.1175821545 0.2040742539 0 0.4129998431 3.6667775641 -1.1087903074 0 -1.0714287683 -2.6452475466 0.3264153689 0 -4.1229201412 -3.2025058753 0.2934786354 0 -2.7689417608 -4.4094160705 0.1984050621 0 -1.9184475522 -3.2418188218 -1.9058787277 0 -3.2602872518 -2.0246730684 -1.7563637757 0 -2.0582782645 -0.9827287252 1.7723967585 0 -4.1748332585 -0.3811294069 -0.355479194 0 -4.0061522719 0.4312920467 1.1998740689 0 -4.4529007492 -1.2609893841 1.160768937 0 -1.3702036077 1.3972247808 1.8755849553 0 -2.5580175843 1.9121283024 0.6632972718 0 -1.5378818725 1.1775684406 -1.6053712956 0 0.168832457 -0.3066493803 2.2673003205 0 0.2515066568 -0.4364876887 -2.016157108 0 2.5218787397 -1.0186350287 2.3431022638 0 2.6281219427 -1.1465740251 -1.9408408016 0 0.727295216 2.879830396 1.9274871722 0 0.6671842958 4.1526678436 -2.038156358 Gaussian 16 4-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RR/gas/CONF12/o #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point cyproconazole_RR CONF12 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 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 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 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 1070 A 950 A 950 1375 1070 77 77 1718.8911430214 38 38 38 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 -0.0460139528 0.000000 6.746255 0.000000 6.476245 2.966953 0.000000 6.877772 2.845140 1.360164 0.000000 6.346475 4.784999 2.194505 2.258302 0.000000 6.501611 2.969929 5.010472 5.477762 6.894173 0.000000 7.703342 4.122292 6.404874 6.811703 8.358271 1.511990 0.000000 7.226294 3.116980 5.777433 5.918343 7.613343 1.506057 1.510257 0.000000 6.799331 2.400819 3.858914 4.506028 5.916276 1.528920 2.685308 2.664870 0.000000 6.089924 1.421739 2.491046 3.026076 4.462422 2.531803 3.926598 3.353507 1.564444 0.000000 8.310616 2.884297 4.423634 4.941396 6.609952 2.569386 3.056297 3.170487 1.534632 2.568525 0.000000 6.748403 2.419226 1.456676 2.441835 3.618536 3.904916 5.211296 4.805570 2.563142 1.555810 3.047502 0.000000 4.554429 2.446944 2.869700 3.433686 4.251355 2.906373 4.413755 3.816164 2.547698 1.535499 3.918135 2.511775 0.000000 4.018591 3.751620 3.398763 4.300219 4.499063 3.532526 4.973697 4.737078 3.143070 2.553206 4.575224 3.047846 1.399817 0.000000 4.023798 2.778410 3.597515 3.700630 4.510593 3.519518 4.906260 3.982705 3.599072 2.549273 4.900636 3.614533 1.394060 2.398670 0.000000 2.727599 4.878972 4.413526 5.196248 4.966749 4.519744 5.876043 5.620232 4.430151 3.841225 5.911734 4.346143 2.433745 1.391317 2.785496 0.000000 2.729067 4.170790 4.567802 4.705957 4.974026 4.510596 5.820348 4.996872 4.767937 3.838206 6.170322 4.763306 2.428184 2.779040 1.393819 2.418752 0.000000 6.138080 4.200920 1.348155 2.206929 1.322426 5.972336 7.426940 6.864223 4.878698 3.563109 5.589909 2.546548 3.467018 3.560698 4.106669 4.258849 4.725832 0.000000 1.759320 5.032544 4.900739 5.355628 5.177455 4.926881 6.245449 5.721785 5.094660 4.330610 6.587311 5.047346 2.795113 2.398088 2.401935 1.391733 1.389379 4.781857 0.000000 6.765141 4.052594 2.098474 1.325242 1.357281 6.571383 7.966877 7.047138 5.660747 4.134485 6.215059 3.491165 4.164463 4.816513 4.228830 5.435913 4.915450 2.095592 5.467199 0.000000 5.557710 3.472516 5.158786 5.696357 6.827050 1.084590 2.189306 2.188878 2.184639 2.834145 3.508202 4.213381 2.605946 2.973901 3.106166 3.717252 3.825379 5.929171 4.080256 6.641160 0.000000 8.659355 4.468870 6.694670 7.122759 8.766291 2.249905 1.082738 2.228116 2.917260 4.311211 2.735925 5.393311 5.078972 5.633038 5.712908 6.660573 6.730776 7.783482 7.144558 8.350328 3.102132 0.000000 7.682217 5.040981 7.234202 7.684352 9.099336 2.229097 1.083834 2.241004 3.550916 4.758460 4.070875 6.075597 4.979883 5.363380 5.374714 6.068368 6.080270 8.163906 6.391855 8.778292 2.451577 1.816295 0.000000 6.865384 3.624735 6.283735 6.315658 7.924222 2.228914 2.244131 1.083559 3.529439 3.954568 4.216543 5.486211 4.069536 4.997903 3.884504 5.654725 4.692099 7.290729 5.512485 7.334828 2.460991 3.114228 2.552378 0.000000 7.924616 2.770561 5.630368 5.606947 7.518919 2.224223 2.231408 1.081994 2.855934 3.377456 2.919396 4.689605 4.165474 5.252812 4.329894 6.255524 5.498197 6.834972 6.349121 6.804778 3.084507 2.516601 3.122425 1.817782 0.000000 6.656061 3.323844 4.043937 4.958907 6.013694 2.120805 3.174355 3.517478 1.097783 2.149609 2.140777 2.722086 2.763177 2.833576 4.014915 4.100665 4.997864 4.842284 5.021454 6.002197 2.414271 3.373034 3.837275 4.318883 3.870740 0.000000 8.679679 2.574836 4.630974 4.846439 6.772714 2.878608 3.221349 2.950802 2.180496 2.829980 1.090535 3.435140 4.240716 5.155033 4.978902 6.459406 6.319872 5.910424 6.946755 6.164515 3.901581 2.895515 4.302373 3.959616 2.345231 3.060977 0.000000 8.698017 3.267532 4.078411 4.703029 6.258196 3.515548 4.114919 4.222842 2.188297 2.833062 1.091843 2.707231 4.253036 4.789264 5.358033 6.174237 6.629755 5.197153 6.964074 5.943669 4.340579 3.746955 5.095693 5.243659 3.915025 2.474156 1.762840 0.000000 8.898150 3.885795 5.444629 6.024442 7.626591 2.800454 2.784402 3.369087 2.171174 3.516733 1.090981 4.026474 4.713225 5.210133 5.703610 6.491488 6.898675 6.551363 7.228004 7.287714 3.747889 2.151875 3.697898 4.444262 3.242715 2.487114 1.774960 1.750694 0.000000 6.705470 3.367355 2.064533 3.315454 3.933037 4.153413 5.433324 5.299215 2.772355 2.200863 3.338029 1.089981 2.824961 2.839432 4.113350 4.117245 5.086780 2.663361 5.076107 4.151768 4.339444 5.589099 6.203747 6.010055 5.335996 2.479571 4.000767 2.887531 4.132806 0.000000 7.810736 2.595767 2.070840 2.712473 4.196002 4.270238 5.379137 4.997983 2.841012 2.175689 2.735586 1.088956 3.455212 4.089935 4.470119 5.416166 5.710919 3.245060 6.094491 3.878922 4.805529 5.361452 6.342124 5.794211 4.674008 3.140070 2.985135 2.139599 3.729174 1.773603 0.000000 6.821976 0.972346 2.498313 2.012676 4.091588 3.906768 5.092876 4.040102 3.235177 1.958377 3.646053 2.436218 2.757863 4.043913 2.917205 5.090481 4.242453 3.714101 5.156252 3.201358 4.308515 5.428914 5.998626 4.445910 3.639207 4.043144 3.308365 3.810340 4.700578 3.491908 2.593668 0.000000 4.858018 4.141304 3.505739 4.635647 4.781329 3.694545 5.040373 5.072470 3.024782 2.762147 4.312175 2.900476 2.161793 1.084647 3.389565 2.130431 3.863423 3.640821 3.372302 5.219744 3.282426 5.540857 5.453764 5.512475 5.558807 2.379503 5.074638 4.372008 4.847225 2.329219 3.864131 4.484792 0.000000 4.875185 2.379614 3.831859 3.580730 4.797038 3.654443 4.904186 3.718443 3.807816 2.734766 4.889674 3.877790 2.140586 3.379262 1.081576 3.866953 2.146233 4.547578 3.381992 4.205494 3.480865 5.667529 5.459996 3.548344 3.862968 4.470640 4.727938 5.405882 5.736211 4.597619 4.537499 2.444552 4.286222 0.000000 2.862564 5.854061 5.124049 6.033708 5.530286 5.267772 6.540914 6.472002 5.141556 4.709599 6.590029 5.038676 3.416280 2.157114 3.867976 1.082497 3.397322 4.782222 2.149569 6.189994 4.429983 7.288594 6.640023 6.535509 7.158993 4.615716 7.248083 6.784132 7.078432 4.604699 6.100530 6.074159 2.459572 4.949407 0.000000 2.864644 4.786818 5.358498 5.272763 5.541859 5.254206 6.452419 5.491844 5.652113 4.705527 6.997942 5.668028 3.409477 3.861589 2.157078 3.397225 1.082562 5.505180 2.146676 5.363528 4.590550 7.402406 6.659640 5.006253 5.956379 5.981415 7.027053 7.507819 7.731362 6.084622 6.559972 4.782234 4.945910 2.481571 4.287170 0.000000 6.044136 4.854436 2.135692 3.234870 2.147843 6.158647 7.602186 7.231729 5.040981 3.944412 5.817830 2.886914 3.725180 3.407057 4.549377 4.015956 5.026549 1.078780 4.783395 3.152308 6.027049 7.949175 8.267195 7.692154 7.316128 4.764749 6.314797 5.378688 6.675977 2.569108 3.650740 4.528776 3.252846 5.174618 4.311763 5.898223 0.000000 7.253048 4.656687 3.138317 2.103767 2.150980 7.325334 8.679809 7.634788 6.516754 4.978052 7.022610 4.473139 4.981385 5.725798 4.801733 6.242142 5.396688 3.137815 6.080833 1.079083 7.404433 9.081861 9.493074 7.834630 7.325570 6.951313 6.843380 6.795112 8.109012 5.201998 4.766529 3.728383 6.218587 4.607995 7.026926 5.651257 4.165340 0.000000 C15H18ClN3O 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 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3468644 0.2719412 0.1757829 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= 950 RedAO= T EigKep= 1.02D-06 NBF= 950 NBsUse= 947 1.00D-06 EigRej= 6.90D-07 NBFU= 947 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= 1067 1061 1061 1067 1067 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.35972488408 -1282.41520759136 -0.055482707278 -1282.41509682871 0.000110762651 -1282.41552594487 -0.000429116163 -1282.41554935716 -0.000023412281 -1282.41555429061 -0.000004933452 -1282.41555513166 -0.000000841048 -1282.41555517732 -0.000000045666 -1282.41555518816 -0.000000010840 -1282.41555518866 -0.000000000501 -1282.41555518873 -0.000000000067 -1282.41555518895 -0.000000000222 -1282.41555519 12 1.277457804795e+03 -6.443430132211e+03 2.164711643158e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2828838415 LenY= 2827692445 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. PT33622.600S Sun Jul 4 02:37:51 2021 GINC-BELVIS5 PAULAPLA 04-Jul-2021 0 Single Point cyproconazole_RR CONF12 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1282.4155552 RMSD=6.648e-09 Dipole=-0.9085275,-0.1285029,0.839406 Quadrupole=-4.9540339,-4.6054386,9.5594725,-3.0291003,-4.2589366,0.6656052 PG=C01 [X(C15H18Cl1N3O1)] 0 4.3922726647 -1.6292771442 0.263916558 0 -1.8773552769 0.3276852224 -1.2768687723 0 -0.6031100756 2.4921811556 0.3023928431 0 -0.6464248643 2.877909579 -1.0012108344 0 1.1308632089 3.8102227485 0.0341481703 0 -2.0733583885 -2.2936707672 0.1053585738 0 -3.1005177639 -3.3977307503 -0.0046876544 0 -2.5917235622 -2.7061838774 -1.2471715604 0 -2.3548666434 -0.9210978495 0.7172359121 0 -1.4271903989 0.1538744619 0.0604731922 0 -3.832307241 -0.5085210458 0.6719997198 0 -1.5553826097 1.5124896279 0.8076517268 0 0.039504839 -0.2979760444 0.109396657 0 0.6946897078 -0.4749253402 1.3336965896 0 0.7506770519 -0.5483025824 -1.0631965724 0 2.0234698364 -0.8832566229 1.3917554663 0 2.0831537333 -0.9554778057 -1.0251808878 0 0.4717352821 3.0514240784 0.8935578032 0 2.710073865 -1.1175821545 0.2040742539 0 0.4129998431 3.6667775641 -1.1087903074 0 -1.0714287683 -2.6452475466 0.3264153689 0 -4.1229201412 -3.2025058753 0.2934786354 0 -2.7689417608 -4.4094160705 0.1984050621 0 -1.9184475522 -3.2418188218 -1.9058787277 0 -3.2602872518 -2.0246730684 -1.7563637757 0 -2.0582782645 -0.9827287252 1.7723967585 0 -4.1748332585 -0.3811294069 -0.355479194 0 -4.0061522719 0.4312920467 1.1998740689 0 -4.4529007492 -1.2609893841 1.160768937 0 -1.3702036077 1.3972247808 1.8755849553 0 -2.5580175843 1.9121283024 0.6632972718 0 -1.5378818725 1.1775684406 -1.6053712956 0 0.168832457 -0.3066493803 2.2673003205 0 0.2515066568 -0.4364876887 -2.016157108 0 2.5218787397 -1.0186350287 2.3431022638 0 2.6281219427 -1.1465740251 -1.9408408016 0 0.727295216 2.879830396 1.9274871722 0 0.6671842958 4.1526678436 -2.038156358