Gaussian 16 GINC-AMBITE PAULAPLA Optimization etaconazole_RR CONF20 gas EM64L-G16RevC.01 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 36 36 85 85 568 (5D, 7F) 6-311+G(d,p) 102 102 C1[X(C14H15Cl2N3O2)] C1[X(C14H15Cl2N3O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 313.0746999999998 0 1 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2523626/Gau-11450.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2523626/" chk=/home/paulapla/almacen/ADAMA/censo_results/etaconazole_RR/gas/CONF20/opt-b3 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization etaconazole_RR CONF20 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 2 2 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 -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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 14 15 16 16 17 17 18 18 19 21 15 20 8 9 8 10 6 11 19 21 19 21 11 12 10 13 22 23 24 25 26 15 16 14 27 28 29 30 31 17 18 32 20 33 20 34 35 36 1.7303 1.7237 1.3954 1.418 1.3968 1.4125 1.3366 1.4355 1.3421 1.3103 1.3078 1.3507 1.5382 1.5254 1.5241 1.5231 1.0938 1.0917 1.0946 1.0887 1.0896 1.3937 1.392 1.5224 1.094 1.0923 1.0911 1.0891 1.0912 1.3873 1.3835 1.0803 1.383 1.0806 1.3838 1.0807 1.0786 1.0787 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8 8 6 6 11 5 19 3 3 3 4 4 11 3 3 3 10 10 13 4 4 4 9 9 23 5 5 5 8 8 25 8 8 15 9 9 9 14 14 27 13 13 13 29 29 30 1 1 12 12 12 18 15 15 20 16 16 20 5 5 7 2 2 17 6 6 7 3 4 5 5 5 6 7 8 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 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 9 10 11 19 19 21 21 4 11 12 11 12 12 10 13 22 13 22 22 9 23 24 23 24 24 8 25 26 25 26 26 15 16 16 14 27 28 27 28 28 29 30 31 30 31 31 12 17 17 18 32 32 20 33 33 20 34 34 7 35 35 17 18 18 7 36 36 109.1098 109.4047 121.6655 109.6357 128.4981 102.6486 102.5746 107.0874 108.8296 112.174 109.6351 109.3204 109.7388 101.4964 112.1062 107.0887 114.503 111.5782 109.6305 103.062 108.7906 110.8785 113.4417 112.1694 108.393 111.4103 108.1768 109.1177 109.6128 110.2967 108.1435 123.1419 119.6327 117.2122 112.1793 110.0491 108.2667 110.052 109.7347 106.3755 112.1553 110.9733 111.4507 107.0866 107.4796 107.4513 122.0824 116.2714 121.6456 122.1817 118.9939 118.8232 119.3475 120.0811 120.5714 119.0228 120.4502 120.5268 110.2125 123.1014 126.6852 119.3754 120.0417 120.5826 114.9253 121.7727 123.2971 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 9 8 8 8 10 10 10 8 8 8 11 19 6 6 6 19 19 19 6 6 11 11 5 5 21 21 19 19 3 3 3 4 4 4 12 12 12 3 3 4 4 11 11 3 3 3 13 13 13 22 22 22 3 3 3 10 10 10 22 22 22 8 8 16 16 8 8 15 15 9 9 9 27 27 27 28 28 28 1 1 12 12 12 12 32 32 15 15 33 33 16 16 34 34 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 8 8 8 9 9 9 8 8 8 10 10 10 6 6 11 11 11 11 11 11 19 19 19 19 21 21 19 19 21 21 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 20 20 20 20 20 20 20 20 4 11 12 10 13 22 3 11 12 9 23 24 21 21 8 25 26 8 25 26 7 35 7 35 7 36 5 35 6 36 5 25 26 5 25 26 5 25 26 15 16 15 16 15 16 4 23 24 4 23 24 4 23 24 14 27 28 14 27 28 14 27 28 1 17 1 17 18 32 18 32 29 30 31 29 30 31 29 30 31 20 33 20 33 20 34 20 34 2 18 2 18 2 17 2 17 15.9776 134.4183 -103.96 -28.5895 94.055 -145.6649 5.2148 -112.7014 126.9628 -22.295 -142.9797 97.9094 175.7182 0.4543 -92.9029 27.6424 145.0743 81.3947 -158.06 -40.6281 -0.6166 179.722 -175.465 4.8736 -0.1618 179.0624 0.4756 -179.878 -0.1937 -179.4046 -56.6173 -176.3154 64.7212 60.2081 -59.4901 -178.4534 -179.7111 60.5908 -58.3725 -46.7938 134.5642 -165.4218 15.9362 74.3059 -104.3361 30.3327 147.7851 -88.9813 -90.6474 26.805 150.0386 144.0926 -98.4549 24.7787 169.7101 -67.4064 48.4746 -75.3576 47.5259 163.4068 50.9189 173.8024 -70.3166 0.0541 -179.6501 178.7268 -0.9774 179.5181 -0.885 0.7967 -179.6064 61.0242 -179.2509 -59.5355 -61.8576 57.8672 177.5827 -178.5878 -58.863 60.8524 -179.2709 0.7793 0.4497 -179.5002 -0.0864 179.7674 -179.684 0.1698 -179.8842 0.3025 0.0654 -179.7479 179.7079 -0.48 -0.1457 179.6663 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 589 A 568 A 910 589 2030.8578796332 36 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= 568 RedAO= T EigKep= 2.49D-06 NBF= 568 NBsUse= 565 1.00D-06 EigRej= 7.30D-07 NBFU= 565 Berny optimization. local minimum Step number 11 out of a maximum of 211 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00304 0.00429 0.00468 0.00503 0.00573 0.00977 0.01403 0.01566 0.01797 0.02208 0.02254 0.02268 0.02283 0.02304 0.02307 0.02312 0.02562 0.02626 0.02699 0.03523 0.03611 0.03776 0.04524 0.04900 0.05019 0.05212 0.05393 0.05487 0.05590 0.05915 0.06842 0.07094 0.07676 0.08334 0.08898 0.09449 0.09812 0.10748 0.11346 0.12274 0.12758 0.15122 0.15501 0.15854 0.16000 0.16000 0.16002 0.16014 0.16028 0.16086 0.16115 0.18998 0.20048 0.22102 0.22208 0.22429 0.23433 0.24473 0.24744 0.24925 0.25012 0.25574 0.26966 0.29001 0.29795 0.29971 0.30125 0.31296 0.32724 0.34138 0.34304 0.34433 0.34520 0.34583 0.34642 0.34676 0.34799 0.34875 0.34936 0.35078 0.35910 0.35958 0.36018 0.36172 0.36467 0.38530 0.39299 0.40083 0.40868 0.41466 0.43682 0.45585 0.46128 0.47996 0.48290 0.48380 0.50672 0.53167 0.54413 0.56764 0.63772 0.67200 -5.78435410e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 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 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 3.32938 3.31611 2.68324 2.72341 2.67870 2.70790 2.56966 2.73794 2.55673 2.49860 2.49545 2.57755 2.92234 2.89653 2.88807 2.88802 2.06547 2.05975 2.06698 2.05699 2.05773 2.64810 2.64351 2.89358 2.06914 2.06691 2.06734 2.06424 2.06840 2.63336 2.62643 2.04352 2.62453 2.04287 2.62639 2.04464 2.03724 2.03951 1.89900 1.89328 2.12197 1.91083 2.24457 1.78858 1.79258 1.86449 1.89485 1.95771 1.91392 1.90476 1.92687 1.76831 1.93980 1.85608 2.00524 1.95250 1.93042 1.79252 1.88060 1.92425 1.98982 1.95613 1.91522 1.94487 1.88170 1.90579 1.90299 1.91508 1.91298 2.15661 2.07929 2.04717 1.96884 1.90015 1.87473 1.93052 1.92281 1.86295 1.95287 1.93466 1.94008 1.87421 1.87929 1.87950 2.13686 2.02341 2.12291 2.13240 2.06156 2.08917 2.07886 2.09788 2.10645 2.07317 2.10895 2.10106 1.92556 2.13916 2.21838 2.07945 2.09203 2.11171 2.00718 2.12366 2.15230 0.21607 2.27884 -1.87029 -0.49926 1.63916 -2.54196 0.18990 -1.86035 2.31012 -0.48913 -2.59523 1.59818 3.04404 0.00876 -1.68651 0.40111 2.47833 1.32672 -2.86884 -0.79162 -0.00889 3.11994 -3.03455 0.09429 -0.00612 3.12582 0.00475 -3.12336 0.00104 -3.13072 -0.98919 -3.06415 1.12374 1.04199 -1.03298 -3.12827 3.14130 1.06634 -1.02896 -0.86239 2.29625 -2.92503 0.23361 1.25335 -1.87119 0.59081 2.62002 -1.47420 -1.50171 0.52751 2.71647 2.56179 -1.69218 0.49678 2.96929 -1.16399 0.84709 -1.31913 0.83078 2.84187 0.91174 3.06166 -1.21045 -0.00103 3.14003 3.12380 -0.01832 3.13918 -0.01368 0.01357 -3.13929 1.07520 -3.11639 -1.02660 -1.05773 1.03387 3.12366 -3.11323 -1.02163 1.06815 -3.13231 0.01023 0.00978 -3.13086 -0.00032 3.13807 -3.13047 0.00792 -3.13968 0.00427 0.00096 -3.13828 3.13507 -0.00889 -0.00333 3.13588 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00005 -0.00004 -0.00002 -0.00004 0.00000 -0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00003 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -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 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00004 -0.00004 0.00000 -0.00005 -0.00001 -0.00005 -0.00002 0.00003 0.00003 0.00005 0.00001 0.00000 0.00002 0.00004 0.00009 0.00003 -0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00003 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00008 0.00006 0.00004 0.00001 -0.00004 -0.00000 0.00001 0.00000 0.00005 -0.00007 -0.00005 0.00004 0.00003 0.00008 -0.00007 0.00004 -0.00004 -0.00007 0.00006 0.00003 0.00003 0.00001 -0.00013 0.00003 0.00003 -0.00003 -0.00002 -0.00002 -0.00003 0.00002 0.00009 -0.00004 0.00001 0.00003 0.00006 -0.00008 -0.00003 0.00005 -0.00001 0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00000 0.00004 -0.00003 -0.00001 -0.00001 0.00002 0.00003 -0.00002 -0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00003 0.00004 -0.00000 0.00002 -0.00002 -0.00001 -0.00001 0.00001 -0.00034 -0.00037 -0.00035 0.00043 0.00039 0.00046 0.00012 0.00009 0.00006 0.00016 0.00028 0.00021 0.00011 0.00001 -0.00020 -0.00028 -0.00019 -0.00007 -0.00015 -0.00006 -0.00000 -0.00008 -0.00012 -0.00020 -0.00001 -0.00000 -0.00000 0.00008 0.00001 0.00000 0.00006 0.00012 0.00003 0.00006 0.00013 0.00003 0.00010 0.00017 0.00007 -0.00017 -0.00015 -0.00015 -0.00014 -0.00014 -0.00013 -0.00035 -0.00036 -0.00040 -0.00030 -0.00031 -0.00034 -0.00029 -0.00030 -0.00034 -0.00002 0.00003 -0.00002 0.00001 0.00006 0.00001 -0.00006 -0.00002 -0.00007 0.00006 0.00004 0.00005 0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00003 -0.00001 -0.00002 -0.00000 0.00001 0.00001 -0.00004 -0.00002 -0.00002 -0.00004 -0.00002 -0.00002 0.00000 -0.00001 0.00003 -0.00001 0.00003 -0.00002 -0.00001 -0.00004 -0.00003 0.00003 0.00002 -0.00000 -0.00001 0.00005 0.00007 0.00000 0.00004 -0.00001 0.00005 -0.00001 -0.00001 -0.00011 -0.00008 -0.00004 -0.00007 -0.00001 -0.00013 -0.00010 -0.00005 0.00001 0.00000 -0.00003 -0.00000 0.00000 -0.00001 0.00002 -0.00003 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00000 -0.00003 -0.00005 -0.00001 0.00001 0.00001 -0.00003 -0.00002 0.00002 -0.00004 0.00004 0.00004 0.00001 0.00001 0.00003 -0.00005 0.00001 -0.00005 0.00005 0.00002 0.00001 0.00000 0.00000 0.00000 -0.00003 0.00001 -0.00004 0.00000 -0.00000 0.00002 0.00001 0.00005 -0.00002 -0.00001 -0.00001 0.00003 -0.00004 0.00002 0.00003 -0.00005 -0.00003 0.00003 0.00004 -0.00004 0.00001 -0.00001 0.00003 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00007 0.00007 0.00001 -0.00001 0.00000 -0.00009 0.00007 0.00002 -0.00002 0.00001 0.00001 0.00002 -0.00002 -0.00001 -0.00003 -0.00005 0.00007 -0.00003 0.00002 0.00002 -0.00003 0.00001 0.00006 0.00001 0.00002 -0.00001 0.00002 -0.00003 -0.00007 -0.00002 -0.00000 0.00001 -0.00003 -0.00016 -0.00004 -0.00003 -0.00009 0.00011 0.00012 0.00005 0.00020 0.00017 0.00006 0.00003 0.00008 0.00007 -0.00014 -0.00011 0.00003 0.00005 0.00002 0.00002 0.00005 0.00006 0.00006 0.00010 0.00003 0.00003 0.00007 0.00000 -0.00010 0.00005 -0.00005 0.00004 -0.00006 0.00001 -0.00003 -0.00001 -0.00001 -0.00005 -0.00003 0.00003 -0.00001 0.00001 0.00001 -0.00003 -0.00001 0.00005 0.00000 0.00002 0.00002 -0.00002 -0.00000 -0.00006 -0.00008 0.00004 0.00002 0.00009 0.00013 -0.00001 0.00004 -0.00003 -0.00003 -0.00004 -0.00001 -0.00002 -0.00003 0.00001 0.00001 -0.00000 -0.00003 -0.00005 -0.00002 -0.00003 -0.00001 -0.00004 -0.00006 -0.00008 0.00001 -0.00000 0.00003 0.00001 0.00000 0.00002 0.00002 0.00004 0.00001 0.00003 0.00001 -0.00002 -0.00002 -0.00001 -0.00003 0.00002 -0.00007 -0.00004 -0.00003 -0.00007 0.00001 -0.00009 -0.00001 -0.00002 0.00001 0.00000 -0.00004 -0.00001 -0.00002 -0.00001 -0.00001 -0.00004 -0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00003 -0.00000 -0.00000 -0.00001 -0.00002 -0.00005 -0.00001 0.00001 0.00001 0.00005 0.00004 0.00005 -0.00003 0.00000 0.00004 0.00003 0.00002 0.00008 -0.00013 -0.00003 -0.00001 0.00008 0.00010 -0.00007 0.00005 -0.00004 -0.00007 0.00003 0.00004 -0.00001 0.00001 -0.00014 0.00006 0.00004 0.00001 -0.00004 -0.00003 -0.00004 0.00005 0.00005 -0.00002 0.00004 -0.00002 0.00003 -0.00005 0.00001 0.00001 0.00001 -0.00000 0.00002 -0.00001 -0.00002 0.00000 -0.00000 0.00001 -0.00001 -0.00003 0.00004 -0.00000 -0.00002 0.00002 -0.00006 0.00005 0.00001 -0.00002 0.00002 -0.00000 0.00001 -0.00004 0.00004 -0.00003 -0.00003 0.00006 -0.00004 0.00001 0.00003 -0.00037 -0.00036 -0.00030 0.00043 0.00042 0.00045 0.00014 0.00006 -0.00001 0.00013 0.00028 0.00022 0.00007 -0.00016 -0.00024 -0.00031 -0.00029 0.00004 -0.00003 -0.00001 0.00020 0.00009 -0.00006 -0.00017 0.00007 0.00006 -0.00014 -0.00002 0.00004 0.00005 0.00008 0.00014 0.00008 0.00012 0.00019 0.00013 0.00014 0.00020 0.00014 -0.00016 -0.00025 -0.00010 -0.00019 -0.00010 -0.00019 -0.00034 -0.00039 -0.00040 -0.00031 -0.00036 -0.00037 -0.00026 -0.00031 -0.00032 -0.00000 -0.00001 -0.00003 0.00006 0.00006 0.00003 -0.00004 -0.00004 -0.00007 0.00000 -0.00004 0.00009 0.00005 0.00007 0.00011 -0.00002 0.00002 -0.00006 -0.00005 -0.00006 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00007 -0.00007 -0.00004 -0.00003 -0.00003 -0.00001 -0.00007 -0.00005 -0.00000 -0.00001 -0.00001 -0.00002 0.00003 0.00004 0.00002 0.00003 3.32938 3.31614 2.68324 2.72339 2.67868 2.70789 2.56963 2.73796 2.55665 2.49856 2.49543 2.57748 2.92235 2.89643 2.88806 2.88800 2.06548 2.05976 2.06694 2.05698 2.05772 2.64808 2.64350 2.89354 2.06913 2.06690 2.06732 2.06423 2.06838 2.63333 2.62643 2.04351 2.62452 2.04285 2.62633 2.04463 2.03725 2.03952 1.89905 1.89332 2.12202 1.91080 2.24457 1.78862 1.79260 1.86451 1.89492 1.95758 1.91389 1.90475 1.92695 1.76841 1.93973 1.85612 2.00521 1.95244 1.93045 1.79256 1.88059 1.92426 1.98968 1.95618 1.91526 1.94489 1.88167 1.90576 1.90294 1.91512 1.91303 2.15658 2.07933 2.04715 1.96886 1.90009 1.87474 1.93054 1.92281 1.86294 1.95290 1.93465 1.94006 1.87421 1.87929 1.87951 2.13685 2.02338 2.12296 2.13240 2.06154 2.08919 2.07880 2.09793 2.10645 2.07315 2.10897 2.10106 1.92557 2.13912 2.21842 2.07942 2.09200 2.11176 2.00714 2.12367 2.15233 0.21569 2.27848 -1.87058 -0.49883 1.63957 -2.54152 0.19004 -1.86030 2.31011 -0.48900 -2.59495 1.59841 3.04411 0.00860 -1.68675 0.40081 2.47804 1.32676 -2.86887 -0.79163 -0.00869 3.12003 -3.03461 0.09412 -0.00605 3.12588 0.00461 -3.12339 0.00108 -3.13067 -0.98911 -3.06401 1.12382 1.04211 -1.03279 -3.12814 3.14144 1.06654 -1.02881 -0.86256 2.29599 -2.92513 0.23342 1.25325 -1.87138 0.59047 2.61963 -1.47461 -1.50202 0.52715 2.71610 2.56153 -1.69249 0.49646 2.96928 -1.16399 0.84706 -1.31907 0.83084 2.84189 0.91171 3.06161 -1.21052 -0.00103 3.13999 3.12389 -0.01827 3.13924 -0.01357 0.01355 -3.13926 1.07514 -3.11643 -1.02666 -1.05775 1.03387 3.12364 -3.11326 -1.02165 1.06813 -3.13238 0.01017 0.00975 -3.13089 -0.00035 3.13806 -3.13054 0.00786 -3.13969 0.00426 0.00095 -3.13830 3.13511 -0.00885 -0.00331 3.13591 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000053 0.000008 0.000913 0.000276 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.840567e-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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 14 15 16 16 17 17 18 18 19 21 15 20 8 9 8 10 6 11 19 21 19 21 11 12 10 13 22 23 24 25 26 15 16 14 27 28 29 30 31 17 18 32 20 33 20 34 35 36 1.7618 1.7548 1.4199 1.4412 1.4175 1.433 1.3598 1.4489 1.353 1.3222 1.3205 1.364 1.5464 1.5328 1.5283 1.5283 1.093 1.09 1.0938 1.0885 1.0889 1.4013 1.3989 1.5312 1.0949 1.0938 1.094 1.0924 1.0946 1.3935 1.3898 1.0814 1.3888 1.081 1.3898 1.082 1.0781 1.0793 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 8 8 6 6 11 5 19 3 3 3 4 4 11 3 3 3 10 10 13 4 4 4 9 9 23 5 5 5 8 8 25 8 8 15 9 9 9 14 14 27 13 13 13 29 29 30 1 1 12 12 12 18 15 15 20 16 16 20 5 5 7 2 2 17 6 6 7 3 4 5 5 5 6 7 8 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 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 9 10 11 19 19 21 21 4 11 12 11 12 12 10 13 22 13 22 22 9 23 24 23 24 24 8 25 26 25 26 26 15 16 16 14 27 28 27 28 28 29 30 31 30 31 31 12 17 17 18 32 32 20 33 33 20 34 34 7 35 35 17 18 18 7 36 36 108.8045 108.4767 121.5797 109.4828 128.6044 102.4782 102.7071 106.8276 108.5667 112.1684 109.6597 109.1348 110.4015 101.3168 111.1424 106.3453 114.892 111.8702 110.6048 102.704 107.7505 110.2513 114.0085 112.0778 109.734 111.433 107.8136 109.1938 109.0331 109.7258 109.6059 123.5645 119.1344 117.2943 112.806 108.8703 107.414 110.6109 110.1687 106.739 111.8914 110.8478 111.1583 107.3843 107.6755 107.6875 122.4328 115.9331 121.6341 122.1777 118.1187 119.7005 119.1098 120.1998 120.6905 118.7839 120.8339 120.382 110.3264 122.5649 127.1041 119.1435 119.8644 120.992 115.0029 121.6768 123.3179 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 8 8 8 10 10 10 8 8 8 11 19 6 6 6 19 19 19 6 6 11 11 5 5 21 21 19 19 3 3 3 4 4 4 12 12 12 3 3 4 4 11 11 3 3 3 13 13 13 22 22 22 3 3 3 10 10 10 22 22 22 8 8 16 16 8 8 15 15 9 9 9 27 27 27 28 28 28 1 1 12 12 12 12 32 32 15 15 33 33 16 16 34 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 8 8 8 9 9 9 8 8 8 10 10 10 6 6 11 11 11 11 11 11 19 19 19 19 21 21 19 19 21 21 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 20 20 20 20 20 20 20 4 11 12 10 13 22 3 11 12 9 23 24 21 21 8 25 26 8 25 26 7 35 7 35 7 36 5 35 6 36 5 25 26 5 25 26 5 25 26 15 16 15 16 15 16 4 23 24 4 23 24 4 23 24 14 27 28 14 27 28 14 27 28 1 17 1 17 18 32 18 32 29 30 31 29 30 31 29 30 31 20 33 20 33 20 34 20 34 2 18 2 18 2 17 2 12.3797 130.5679 -107.1596 -28.6055 93.9168 -145.6438 10.8803 -106.5903 132.3602 -28.0253 -148.6955 91.5691 174.4105 0.5017 -96.6301 22.982 141.9978 76.0153 -164.3726 -45.3568 -0.5094 178.7596 -173.8668 5.4022 -0.3505 179.0962 0.272 -178.9555 0.0594 -179.3771 -56.6763 -175.563 64.3856 59.7016 -59.1851 -179.2365 179.9833 61.0966 -58.9548 -49.4114 131.5653 -167.5919 13.3848 71.8119 -107.2114 33.8507 150.1162 -84.4656 -86.0416 30.2239 155.6421 146.7798 -96.9547 28.4635 170.1275 -66.6915 48.5349 -75.5805 47.6005 162.8269 52.239 175.42 -69.3536 -0.0592 179.9104 178.9808 -1.0496 179.8616 -0.7837 0.7774 -179.8679 61.6043 -178.5557 -58.8197 -60.6034 59.2365 178.9725 -178.3752 -58.5352 61.2007 -179.468 0.5863 0.5606 -179.3852 -0.0181 179.7984 -179.363 0.4536 -179.8906 0.2446 0.0549 -179.8099 179.6265 -0.5096 -0.1909 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0446010974 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.324551 0.000000 2.946706 6.719711 0.000000 4.507469 6.614120 2.245785 0.000000 4.454729 8.138120 2.810881 2.859826 0.000000 5.715116 8.898704 3.810648 3.130895 1.336590 0.000000 5.971383 10.195842 4.074740 4.470077 2.173614 2.243378 0.000000 3.152368 6.044970 1.395385 1.396802 2.457390 3.285217 4.300901 0.000000 4.183904 7.352578 1.418049 2.300293 3.626201 4.285950 4.479313 2.292062 0.000000 5.093431 7.626125 2.279334 1.412531 3.305171 3.504951 4.265816 2.292887 1.524132 0.000000 3.433075 6.723922 2.387194 2.400230 1.435481 2.421054 3.569352 1.538207 3.492381 3.323001 0.000000 2.738242 4.520079 2.425042 2.384945 3.785272 4.607954 5.755076 1.525447 3.261148 3.431381 2.505596 0.000000 4.422444 6.797062 2.440517 3.159585 5.021256 5.702102 5.994654 3.160001 1.523059 2.562850 4.601434 3.489895 0.000000 5.901897 7.968650 3.779205 4.184333 6.120538 6.611320 6.757114 4.510866 2.527440 3.220957 5.913339 4.930782 1.522374 0.000000 1.730271 3.976221 2.980895 3.692801 4.540709 5.576296 6.421789 2.567898 4.010401 4.570358 3.228426 1.393715 4.035622 5.534092 0.000000 4.001064 3.976773 3.582909 2.700801 4.686593 5.218147 6.709321 2.522761 4.065183 3.863754 3.449338 1.391969 4.053998 5.298178 2.377878 0.000000 2.653920 2.687499 4.313745 4.797421 5.850803 6.825064 7.788250 3.844271 5.204314 5.728570 4.478413 2.428131 4.939425 6.350226 1.387277 2.758763 0.000000 4.495302 2.697099 4.754449 4.074911 5.963742 6.529951 8.026972 3.813971 5.247843 5.176302 4.640310 2.429612 4.957075 6.145941 2.767056 1.383497 2.403151 0.000000 4.672943 9.016513 3.037663 3.780880 1.342108 2.189368 1.307842 3.275157 3.768427 3.802121 2.502078 4.643583 5.226574 6.216230 5.183085 5.719613 6.547477 6.982217 0.000000 3.951649 1.723697 5.037777 4.939535 6.450220 7.227461 8.492430 4.321293 5.718749 5.970623 5.053056 2.796417 5.333036 6.616412 2.391226 2.384672 1.383024 1.383811 7.328269 0.000000 6.440870 10.066598 4.387960 4.075168 2.066460 1.310273 1.350656 4.228145 4.698142 4.043238 3.448624 5.664851 6.201677 6.940122 6.552164 6.382682 7.866254 7.721396 2.074577 8.371753 0.000000 4.698136 8.340859 2.029520 3.199727 3.877804 4.519058 4.179160 3.151505 1.093842 2.178471 4.075062 4.243266 2.153041 2.700920 4.855534 5.137961 6.088372 6.318574 3.645871 6.717183 4.625004 0.000000 5.907404 7.806980 3.211188 2.044637 4.329840 4.354901 5.215136 3.153305 2.199705 1.091719 4.287358 4.003994 2.674821 2.907747 5.190262 4.117075 6.198782 5.323261 4.862366 6.244557 4.877532 2.812558 0.000000 5.678438 8.582043 2.799292 2.072563 2.981297 2.915704 3.477870 2.879325 2.186381 1.094621 3.463821 4.237784 3.461441 3.938792 5.353852 4.743030 6.591747 6.099825 3.317471 6.898367 3.186663 2.379700 1.773184 0.000000 4.117102 6.560517 3.322754 2.654006 2.054494 2.532512 4.197298 2.162317 4.295422 3.832198 1.088712 2.741891 5.306989 6.591394 3.579289 3.296784 4.627046 4.407858 3.317199 4.964440 3.762327 4.979215 4.653519 3.977615 0.000000 2.752641 6.577338 2.690078 3.339764 2.066991 3.239549 3.944457 2.171677 4.020978 4.187894 1.089632 2.734705 5.018902 6.423375 2.958886 3.865444 4.172598 4.863011 2.725265 4.979479 4.099154 4.519608 5.180001 4.368409 1.763919 0.000000 4.405642 5.913418 2.767337 2.915708 5.208155 5.833751 6.498780 3.013164 2.158451 2.730699 4.547824 2.952065 1.093973 2.157885 3.603216 3.210097 4.326619 4.005169 5.665522 4.489987 6.531578 3.058694 2.681379 3.788056 5.069565 5.008996 0.000000 3.912788 6.637756 2.598206 3.906283 5.384668 6.256405 6.336613 3.530698 2.134417 3.463284 4.879668 3.663484 1.092301 2.152614 3.818700 4.420447 4.652217 5.165498 5.449223 5.254169 6.726672 2.530483 3.733301 4.288965 5.676999 5.066148 1.750339 0.000000 6.562177 8.334729 4.168687 4.016884 6.150427 6.423301 6.753988 4.671418 2.814903 2.960445 6.036865 5.195520 2.181994 1.091142 6.021806 5.371199 6.854436 6.286353 6.356931 6.962500 6.750622 3.048068 2.323782 3.601962 6.599045 6.703683 2.535540 3.075414 0.000000 6.333726 7.854986 4.590055 4.990436 7.075248 7.605936 7.811162 5.263165 3.475276 4.182386 6.732277 5.417351 2.165796 1.089097 5.885084 5.654122 6.498720 6.291394 7.209801 6.677757 7.995580 3.713924 3.773481 4.976396 7.371261 7.182710 2.492038 2.492601 1.753581 0.000000 6.224306 8.848171 4.048897 4.783037 6.296604 6.809658 6.598237 5.013042 2.792886 3.650808 6.283059 5.618937 2.173359 1.091240 6.137617 6.162463 7.047843 7.071571 6.160899 7.463776 6.941892 2.516881 3.494047 4.132151 7.069778 6.735764 3.073653 2.513319 1.759741 1.757773 0.000000 4.870924 4.823479 3.847068 2.309823 4.627094 4.888996 6.571568 2.696961 4.075695 3.483841 3.595161 2.135991 4.184885 5.241180 3.359907 1.080315 3.839035 2.126564 5.745741 3.359274 6.061354 5.144244 3.569307 4.304008 3.308995 4.266366 3.344173 4.787187 5.093416 5.668403 6.133193 0.000000 2.764423 2.836361 4.996777 5.769674 6.566705 7.631884 8.416541 4.710220 5.943032 6.627772 5.230116 3.402514 5.624026 7.016799 2.143586 3.839335 1.080589 3.384327 7.135414 2.144912 8.615324 6.732862 7.137859 7.466625 5.445223 4.741004 5.113063 5.155275 7.628821 7.097447 7.638631 4.919618 0.000000 5.575865 2.851466 5.665312 4.677828 6.745781 7.157859 8.807658 4.666917 6.012049 5.763334 5.476117 3.404960 5.652983 6.686510 3.847767 2.144182 3.384033 1.080726 7.835799 2.145268 8.379378 7.101805 5.744486 6.681851 5.111318 5.795680 4.624553 5.963750 6.702621 6.758099 7.679080 2.452073 4.279737 0.000000 4.085981 8.868140 2.896532 4.241882 2.132105 3.215903 2.135280 3.449822 3.781871 4.221605 2.834583 4.658221 5.111198 6.165105 4.923784 5.892537 6.275291 7.067118 1.078631 7.220160 3.132469 3.566364 5.300139 3.917633 3.801250 2.694655 5.635448 5.116657 6.486649 7.097999 6.034147 6.097429 6.728096 8.005808 0.000000 7.509236 10.957062 5.358522 4.809610 3.105888 2.090201 2.141876 5.163167 5.504696 4.685969 4.434989 6.590035 6.986160 7.576301 7.552436 7.188150 8.846541 8.531348 3.115472 9.272554 1.078724 5.383651 5.369887 3.722839 4.610919 5.132271 7.312327 7.591730 7.265795 8.644125 7.552051 6.748686 9.630022 9.110178 4.144306 0.000000 C14H15Cl2N3O2 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4417872 0.1616525 0.1472083 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.379836 0.000000 3.035676 6.778247 0.000000 4.582184 6.656645 2.278333 0.000000 4.487246 8.220977 2.833150 2.881122 0.000000 5.771617 8.997460 3.893246 3.207930 1.359806 0.000000 6.043085 10.282151 4.065236 4.451091 2.194440 2.265650 0.000000 3.200520 6.090935 1.419907 1.417507 2.475500 3.351199 4.307207 0.000000 4.341747 7.465742 1.441167 2.313503 3.599894 4.321378 4.365631 2.326441 0.000000 5.202607 7.748318 2.297192 1.432960 3.217997 3.478661 4.083668 2.313043 1.528300 0.000000 3.439895 6.797472 2.409547 2.423998 1.448854 2.451884 3.602543 1.546435 3.501552 3.289286 0.000000 2.777750 4.559003 2.451119 2.404814 3.817187 4.674147 5.781420 1.532777 3.329294 3.497495 2.528528 0.000000 4.634569 6.921612 2.449778 3.129216 5.003941 5.733177 5.890543 3.178538 1.528276 2.576341 4.617328 3.555335 0.000000 6.128586 8.103417 3.809930 4.168524 6.104590 6.642655 6.629427 4.545227 2.548403 3.253504 5.936274 5.006412 1.531214 0.000000 1.761831 4.012185 3.029675 3.727762 4.573279 5.633569 6.471258 2.586140 4.122273 4.659049 3.242056 1.401313 4.179030 5.686667 0.000000 4.047148 4.013550 3.593681 2.697581 4.731721 5.296371 6.731433 2.528661 4.099404 3.920363 3.495795 1.398888 4.061104 5.312479 2.391313 0.000000 2.682031 2.716986 4.359775 4.829734 5.895731 6.889193 7.849122 3.866245 5.316812 5.828037 4.507752 2.440072 5.085990 6.509463 1.393512 2.774342 0.000000 4.542046 2.727606 4.774219 4.078392 6.018309 6.610038 8.064784 3.827692 5.300412 5.249930 4.693556 2.441179 4.992112 6.185257 2.782536 1.389846 2.418332 0.000000 4.726251 9.095842 2.996283 3.747551 1.352962 2.215128 1.320538 3.259325 3.643128 3.620638 2.525041 4.654932 5.123422 6.101849 5.217977 5.732673 6.596896 7.013409 0.000000 3.986395 1.754808 5.067138 4.954245 6.499644 7.297139 8.542371 4.336180 5.801274 6.059138 5.093999 2.804237 5.426799 6.720153 2.398710 2.392380 1.388842 1.389825 7.369885 0.000000 6.511994 10.163540 4.440926 4.111916 2.091469 1.322202 1.363980 4.273728 4.674308 3.946675 3.484560 5.718855 6.175162 6.901463 6.612468 6.438881 7.934353 7.785574 2.096823 8.436725 0.000000 4.830694 8.441397 2.039169 3.228069 3.839051 4.551538 4.040979 3.178484 1.093000 2.185141 4.069510 4.295704 2.169326 2.748213 4.945714 5.166597 6.182090 6.363224 3.491015 6.785963 4.597439 0.000000 6.066795 8.000167 3.242132 2.047870 4.227445 4.285988 4.976496 3.189679 2.208910 1.089974 4.261705 4.113358 2.714096 2.949844 5.333883 4.218638 6.363787 5.453110 4.656333 6.399339 4.717519 2.814983 0.000000 5.692426 8.647662 2.772430 2.082023 2.783679 2.796698 3.198472 2.836783 2.188316 1.093798 3.331221 4.237407 3.489931 4.024317 5.361833 4.757890 6.615752 6.130207 3.028542 6.926820 3.004189 2.398947 1.785930 0.000000 4.110951 6.638558 3.342374 2.662673 2.061305 2.534824 4.229443 2.161998 4.299706 3.793458 1.088515 2.761620 5.314854 6.601998 3.583735 3.354157 4.651409 4.472096 3.346381 5.009056 3.782276 4.971001 4.619939 3.842474 0.000000 2.726754 6.663583 2.695881 3.359316 2.079003 3.259162 3.994662 2.171149 4.028084 4.153812 1.088904 2.754959 5.046742 6.457200 2.967201 3.917770 4.205313 4.927847 2.770423 5.031133 4.136009 4.501633 5.162961 4.226820 1.779332 0.000000 4.593186 6.043172 2.747507 2.834374 5.161424 5.828773 6.377617 2.992195 2.148709 2.727160 4.532713 2.994517 1.094941 2.173452 3.733649 3.192402 4.471517 4.030145 5.546978 4.584531 6.474675 3.061531 2.728469 3.789058 5.046749 5.013339 0.000000 4.135464 6.745838 2.584718 3.872429 5.377039 6.295888 6.259220 3.535506 2.128955 3.467001 4.896129 3.707083 1.093760 2.166981 3.953289 4.406689 4.790201 5.178947 5.367288 5.330479 6.719157 2.530150 3.767418 4.295356 5.688113 5.096168 1.756433 0.000000 6.771759 8.470456 4.205872 4.001075 6.120513 6.438247 6.602246 4.705954 2.839611 2.999752 6.050263 5.272193 2.188735 1.093987 6.166012 5.391738 7.006663 6.331256 6.225499 7.066586 6.688918 3.104820 2.365407 3.713490 6.597129 6.726784 2.542239 3.087548 0.000000 6.566392 7.986898 4.610809 4.963206 7.061730 7.637737 7.691220 5.288563 3.494865 4.219472 6.754530 5.483673 2.174483 1.092351 6.037219 5.653165 6.661564 6.316424 7.103208 6.778130 7.960206 3.757261 3.834861 5.063944 7.381868 7.219061 2.517356 2.505720 1.761854 0.000000 6.451046 8.980191 4.081643 4.781133 6.283017 6.846030 6.466285 5.052580 2.807366 3.673512 6.308150 5.694219 2.180033 1.094550 6.287113 6.180713 7.202889 7.112299 6.043098 7.564388 6.906916 2.560655 3.509079 4.214810 7.082832 6.768092 3.086796 2.528234 1.766914 1.765728 0.000000 4.908624 4.869770 3.827713 2.271104 4.657966 4.961975 6.561822 2.682621 4.053986 3.497520 3.634358 2.133582 4.115199 5.175424 3.368093 1.081382 3.855696 2.142518 5.728601 3.374542 6.098888 5.126541 3.613833 4.302055 3.371298 4.310847 3.238056 4.704802 5.034862 5.585267 6.076902 0.000000 2.784755 2.859502 5.051013 5.807303 6.611051 7.690957 8.489019 4.735311 6.071523 6.733917 5.254920 3.415669 5.801347 7.212339 2.150825 3.855372 1.081039 3.399184 7.196099 2.151777 8.685808 6.842935 7.313034 7.491815 5.461604 4.767761 5.287803 5.334192 7.812066 7.304197 7.831472 4.936715 0.000000 5.623699 2.871778 5.681751 4.678778 6.808448 7.247408 8.845260 4.683610 6.051095 5.834455 5.539729 3.420212 5.659559 6.691749 3.864510 2.154966 3.397835 1.081978 7.868624 2.150205 8.448124 7.136710 5.868899 6.724186 5.192081 5.871898 4.619878 5.948356 6.716340 6.742577 7.688207 2.480235 4.292304 0.000000 4.135062 8.931349 2.778377 4.162934 2.136094 3.239515 2.150275 3.390799 3.583991 3.995691 2.847639 4.636342 4.944661 5.985775 4.940787 5.870027 6.311495 7.069010 1.078063 7.241818 3.155068 3.320328 5.058288 3.602766 3.832196 2.750519 5.466138 4.971187 6.295314 6.928234 5.846230 6.038138 6.785297 8.006167 0.000000 7.582466 11.054862 5.424922 4.861623 3.131996 2.100415 2.154632 5.218793 5.498442 4.614498 4.472061 6.650897 6.970418 7.547764 7.615950 7.251891 8.916208 8.600460 3.137913 9.340017 1.079263 5.380101 5.220159 3.598040 4.629632 5.166604 7.264322 7.593793 7.214166 8.617307 7.528596 6.798208 9.700236 9.185033 4.167938 0.000000 C14H15Cl2N3O2 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4383470 0.1585693 0.1441492 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= 581 581 581 581 581 MxSgAt= 36 MxSgA2= 36. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2011.3431244264 36 36 36 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 -0.0442932365 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2014.7793019638 36 36 36 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 -0.0447811929 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2015.2812858570 36 36 36 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 -0.0449322805 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2014.9048426337 36 36 36 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 -0.0449731769 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2015.1447020865 36 36 36 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 -0.0449137007 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2014.9848187560 36 36 36 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 -0.0448733163 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2014.8342190925 36 36 36 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 -0.0448764539 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2014.7143585674 36 36 36 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 -0.0448770218 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2014.6542082536 36 36 36 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 -0.0448719664 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 589 A 568 A 568 910 589 85 85 2014.6573224852 36 36 36 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 -0.0448729301 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= 568 RedAO= T EigKep= 2.66D-06 NBF= 568 NBsUse= 565 1.00D-06 EigRej= 7.72D-07 NBFU= 565 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= 581 581 581 581 581 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 1 1 -1777.40823416500 -1777.59122276748 -0.182988602478 -1777.87346484730 -0.282242079823 -1777.89488270865 -0.021417861354 -1777.91155266257 -0.016669953920 -1777.91224589466 -0.000693232081 -1777.91233865540 -0.000092760746 -1777.91234848015 -0.000009824751 -1777.91234903865 -0.000000558493 -1777.91234913156 -0.000000092917 -1777.91234913583 -0.000000004273 -1777.91234913769 -0.000000001858 -1777.91234913756 0.000000000131 -1777.91234913784 -0.000000000275 -1777.91234913783 0.000000000011 -1777.91234913767 0.000000000152 -1777.91234914 16 1.772924499430e+03 -8.247018428092e+03 2.665368300989e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839545914 LenY= 1839198404 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. -7.52382498e-01 9.19332247e-01 -6.91352401e-02 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 17 17 8 8 7 7 7 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 -0.002631159 -0.002871445 -0.014730641 0.007938979 0.012315646 0.001141605 -0.003407705 -0.001199432 -0.014444225 0.005450297 -0.002116494 0.014063790 0.005038716 0.009983146 -0.005573309 0.008025061 -0.002841729 0.017299419 -0.010522171 -0.009398180 -0.006113775 0.012028426 0.002558093 -0.002031868 -0.010448233 0.000527465 0.002718131 -0.011447116 -0.004150111 0.004353132 0.008077707 0.001978883 -0.002420533 0.000205743 -0.000013190 0.001386980 0.000735836 0.003790697 -0.000219915 -0.003171983 0.001160725 0.001721288 0.001791105 0.001542009 0.004314886 -0.000538215 -0.002127039 0.005157970 0.001341374 0.003152931 -0.004026614 0.000945194 0.000549643 0.005323274 -0.001846341 0.008530444 -0.014705533 -0.003553194 -0.005326068 -0.000732035 -0.005271711 -0.015270145 0.007725110 0.000708510 -0.000249759 -0.000607761 0.001031001 0.000552987 -0.000020873 0.001723687 -0.000939912 -0.001231126 -0.000900665 0.000437787 0.001612117 -0.001473473 0.000916987 -0.000336106 0.001737794 -0.001030013 0.000339137 0.000633832 -0.000491274 -0.001645726 0.000148422 -0.001049443 0.001734508 -0.000464837 0.002277785 0.000242525 -0.001385602 -0.001089879 -0.001531140 -0.001308959 -0.001580098 -0.000114427 0.000120825 0.000288369 -0.000449284 0.000586423 0.000711793 0.000744326 0.000226733 0.000891667 0.000596829 -0.000124300 -0.000422847 0.000459863 0.017299419 0.005291564 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1777.91665701714 -1777.91665927283 -0.000002255686 -1777.91665925276 0.000000020069 -1777.91665930353 -0.000000050767 -1777.91665930562 -0.000000002093 -1777.91665930610 -0.000000000478 -1777.91665930612 -0.000000000026 -1777.91665930608 0.000000000048 -1777.91665930623 -0.000000000159 -1777.91665931 9 1.772268767131e+03 -8.214135180497e+03 2.649337304504e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839545914 LenY= 1839198404 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) PT93444.800S Tue Jul 13 05:34:46 2021 -6.44241477e-01 9.48687984e-01 -5.30961172e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1777.9166593 4.023E-9 1.464E-5 5.6609724,-10.4724321,4.8114597,-4.5086705,-3.8971417,-1.3171914 C01 [X(C14H15Cl2N3O2)] -0.4329968 0.9635036 0.4494995 0.000000040 0.000002004 -0.000004340 0.000007155 0.000010677 0.000002301 0.000004682 0.000024745 0.000004414 0.000005991 -0.000001501 -0.000011911 -0.000030734 -0.000000293 -0.000018566 -0.000038801 -0.000023616 -0.000045517 0.000030714 0.000025050 0.000038574 0.000026063 0.000010053 0.000003169 0.000007075 -0.000002413 0.000016873 -0.000012995 -0.000010965 -0.000014077 -0.000004413 0.000004174 -0.000002455 -0.000028181 -0.000029703 -0.000008868 -0.000006821 -0.000008472 -0.000003719 0.000005288 -0.000000677 -0.000002202 0.000004220 0.000004377 0.000036077 0.000003712 0.000012093 -0.000002857 0.000005377 0.000013217 -0.000030655 0.000012141 0.000019369 -0.000008039 0.000030154 -0.000020968 0.000038123 -0.000027557 -0.000044495 0.000015720 0.000009239 0.000012925 -0.000014233 -0.000003548 -0.000004564 0.000002178 -0.000001638 0.000006784 -0.000002022 -0.000000380 0.000010775 0.000004960 -0.000003471 0.000000210 -0.000001274 0.000001282 -0.000003682 0.000001495 -0.000002202 -0.000000550 -0.000001147 0.000000158 0.000000723 0.000004140 -0.000002380 0.000002083 -0.000002694 0.000001787 -0.000006034 0.000000164 0.000004382 0.000002072 0.000004105 0.000002929 -0.000002358 -0.000001426 0.000000287 -0.000001419 0.000009114 -0.000002171 0.000000315 -0.000004161 0.000003517 0.000003794 -0.000003586 -0.000000899 -0.000003728 0.000002340 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-AMBITE PAULAPLA Optimization etaconazole_RR CONF20 gas EM64L-G16RevC.01 102 C1[X(C14H15Cl2N3O2)] 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization etaconazole_RR CONF20 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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/etaconazole_RR/gas/CONF20/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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 14 15 16 16 17 17 18 18 19 21 15 20 8 9 8 10 6 11 19 21 19 21 11 12 10 13 22 23 24 25 26 15 16 14 27 28 29 30 31 17 18 32 20 33 20 34 35 36 1.7618 1.7548 1.4199 1.4412 1.4175 1.433 1.3598 1.4489 1.353 1.3222 1.3205 1.364 1.5464 1.5328 1.5283 1.5283 1.093 1.09 1.0938 1.0885 1.0889 1.4013 1.3989 1.5312 1.0949 1.0938 1.094 1.0924 1.0946 1.3935 1.3898 1.0814 1.3888 1.081 1.3898 1.082 1.0781 1.0793 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 8 8 6 6 11 5 19 3 3 3 4 4 11 3 3 3 10 10 13 4 4 4 9 9 23 5 5 5 8 8 25 8 8 15 9 9 9 14 14 27 13 13 13 29 29 30 1 1 12 12 12 18 15 15 20 16 16 20 5 5 7 2 2 17 6 6 7 3 4 5 5 5 6 7 8 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 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 9 10 11 19 19 21 21 4 11 12 11 12 12 10 13 22 13 22 22 9 23 24 23 24 24 8 25 26 25 26 26 15 16 16 14 27 28 27 28 28 29 30 31 30 31 31 12 17 17 18 32 32 20 33 33 20 34 34 7 35 35 17 18 18 7 36 36 108.8045 108.4767 121.5797 109.4828 128.6044 102.4782 102.7071 106.8276 108.5667 112.1684 109.6597 109.1348 110.4015 101.3168 111.1424 106.3453 114.892 111.8702 110.6048 102.704 107.7505 110.2513 114.0085 112.0778 109.734 111.433 107.8136 109.1938 109.0331 109.7258 109.6059 123.5645 119.1344 117.2943 112.806 108.8703 107.414 110.6109 110.1687 106.739 111.8914 110.8478 111.1583 107.3843 107.6755 107.6875 122.4328 115.9331 121.6341 122.1777 118.1187 119.7005 119.1098 120.1998 120.6905 118.7839 120.8339 120.382 110.3264 122.5649 127.1041 119.1435 119.8644 120.992 115.0029 121.6768 123.3179 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 9 9 8 8 8 10 10 10 8 8 8 11 19 6 6 6 19 19 19 6 6 11 11 5 5 21 21 19 19 3 3 3 4 4 4 12 12 12 3 3 4 4 11 11 3 3 3 13 13 13 22 22 22 3 3 3 10 10 10 22 22 22 8 8 16 16 8 8 15 15 9 9 9 27 27 27 28 28 28 1 1 12 12 12 12 32 32 15 15 33 33 16 16 34 34 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 8 8 8 9 9 9 8 8 8 10 10 10 6 6 11 11 11 11 11 11 19 19 19 19 21 21 19 19 21 21 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 20 20 20 20 20 20 20 20 4 11 12 10 13 22 3 11 12 9 23 24 21 21 8 25 26 8 25 26 7 35 7 35 7 36 5 35 6 36 5 25 26 5 25 26 5 25 26 15 16 15 16 15 16 4 23 24 4 23 24 4 23 24 14 27 28 14 27 28 14 27 28 1 17 1 17 18 32 18 32 29 30 31 29 30 31 29 30 31 20 33 20 33 20 34 20 34 2 18 2 18 2 17 2 17 12.3797 130.5679 -107.1596 -28.6055 93.9168 -145.6438 10.8803 -106.5903 132.3602 -28.0253 -148.6955 91.5691 174.4105 0.5017 -96.6301 22.982 141.9978 76.0153 -164.3726 -45.3568 -0.5094 178.7596 -173.8668 5.4022 -0.3505 179.0962 0.272 -178.9555 0.0594 -179.3771 -56.6763 -175.563 64.3856 59.7016 -59.1851 -179.2365 179.9833 61.0966 -58.9548 -49.4114 131.5653 -167.5919 13.3848 71.8119 -107.2114 33.8507 150.1162 -84.4656 -86.0416 30.2239 155.6421 146.7798 -96.9547 28.4635 170.1275 -66.6915 48.5349 -75.5805 47.6005 162.8269 52.239 175.42 -69.3536 -0.0592 179.9104 178.9808 -1.0496 179.8616 -0.7837 0.7774 -179.8679 61.6043 -178.5557 -58.8197 -60.6034 59.2365 178.9725 -178.3752 -58.5352 61.2007 -179.468 0.5863 0.5606 -179.3852 -0.0181 179.7984 -179.363 0.4536 -179.8906 0.2446 0.0549 -179.8099 179.6265 -0.5096 -0.1909 179.6729 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00200 0.00354 0.00394 0.00517 0.00556 0.00656 0.00796 0.00882 0.01303 0.01742 0.01783 0.02103 0.02298 0.02401 0.02489 0.02707 0.03025 0.03442 0.03675 0.03733 0.03780 0.03940 0.04269 0.04420 0.04543 0.04582 0.05059 0.05174 0.05727 0.05785 0.05979 0.06596 0.07044 0.07240 0.08242 0.09128 0.09221 0.09751 0.10305 0.10772 0.10815 0.11328 0.11559 0.11620 0.11805 0.12114 0.12279 0.13522 0.14094 0.15263 0.15916 0.16062 0.16128 0.17438 0.18398 0.19099 0.19409 0.20211 0.21256 0.21745 0.22425 0.23374 0.24211 0.24352 0.25101 0.25610 0.25824 0.26268 0.27984 0.28670 0.29902 0.30450 0.30919 0.31988 0.32702 0.32990 0.33195 0.33272 0.33397 0.33784 0.34202 0.34302 0.34373 0.34913 0.35128 0.36096 0.36312 0.36458 0.36718 0.36995 0.37248 0.38292 0.39201 0.41196 0.42757 0.45161 0.45742 0.46374 0.50351 0.50836 0.53249 0.60036 Angle between quadratic step and forces= 74.68 degrees. 1 2 0.00037694 0.00000007 0.00000003 0.00000001 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 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 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 3.32938 3.31611 2.68324 2.72341 2.67870 2.70790 2.56966 2.73794 2.55673 2.49860 2.49545 2.57755 2.92234 2.89653 2.88807 2.88802 2.06547 2.05975 2.06698 2.05699 2.05773 2.64810 2.64351 2.89358 2.06914 2.06691 2.06734 2.06424 2.06840 2.63336 2.62643 2.04352 2.62453 2.04287 2.62639 2.04464 2.03724 2.03951 1.89900 1.89328 2.12197 1.91083 2.24457 1.78858 1.79258 1.86449 1.89485 1.95771 1.91392 1.90476 1.92687 1.76831 1.93980 1.85608 2.00524 1.95250 1.93042 1.79252 1.88060 1.92425 1.98982 1.95613 1.91522 1.94487 1.88170 1.90579 1.90299 1.91508 1.91298 2.15661 2.07929 2.04717 1.96884 1.90015 1.87473 1.93052 1.92281 1.86295 1.95287 1.93466 1.94008 1.87421 1.87929 1.87950 2.13686 2.02341 2.12291 2.13240 2.06156 2.08917 2.07886 2.09788 2.10645 2.07317 2.10895 2.10106 1.92556 2.13916 2.21838 2.07945 2.09203 2.11171 2.00718 2.12366 2.15230 0.21607 2.27884 -1.87029 -0.49926 1.63916 -2.54196 0.18990 -1.86035 2.31012 -0.48913 -2.59523 1.59818 3.04404 0.00876 -1.68651 0.40111 2.47833 1.32672 -2.86884 -0.79162 -0.00889 3.11994 -3.03455 0.09429 -0.00612 3.12582 0.00475 -3.12336 0.00104 -3.13072 -0.98919 -3.06415 1.12374 1.04199 -1.03298 -3.12827 3.14130 1.06634 -1.02896 -0.86239 2.29625 -2.92503 0.23361 1.25335 -1.87119 0.59081 2.62002 -1.47420 -1.50171 0.52751 2.71647 2.56179 -1.69218 0.49678 2.96929 -1.16399 0.84709 -1.31913 0.83078 2.84187 0.91174 3.06166 -1.21045 -0.00103 3.14003 3.12380 -0.01832 3.13918 -0.01368 0.01357 -3.13929 1.07520 -3.11639 -1.02660 -1.05773 1.03387 3.12366 -3.11323 -1.02163 1.06815 -3.13231 0.01023 0.00978 -3.13086 -0.00032 3.13807 -3.13047 0.00792 -3.13968 0.00427 0.00096 -3.13828 3.13507 -0.00889 -0.00333 3.13588 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00005 -0.00004 -0.00002 -0.00004 0.00000 -0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00003 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00001 -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 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 0.00009 0.00002 -0.00001 -0.00004 0.00002 -0.00002 0.00001 -0.00011 -0.00006 -0.00003 -0.00009 -0.00000 -0.00012 -0.00004 -0.00004 0.00002 0.00001 -0.00004 -0.00001 -0.00001 -0.00001 0.00001 -0.00004 0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00001 -0.00000 -0.00001 -0.00003 -0.00007 -0.00002 0.00001 0.00001 0.00007 0.00006 0.00005 -0.00003 0.00002 0.00004 0.00003 0.00001 0.00008 -0.00016 -0.00006 0.00003 0.00010 0.00013 -0.00006 0.00004 -0.00002 -0.00007 -0.00000 0.00005 -0.00002 0.00000 -0.00013 0.00009 0.00001 0.00002 -0.00003 -0.00002 -0.00005 0.00008 -0.00001 -0.00001 0.00007 -0.00005 0.00003 -0.00002 0.00003 -0.00000 -0.00001 -0.00002 0.00004 -0.00001 -0.00000 -0.00002 -0.00001 -0.00000 -0.00001 -0.00007 0.00008 0.00001 -0.00002 0.00000 -0.00010 0.00008 0.00001 -0.00003 0.00002 0.00001 0.00001 -0.00002 0.00002 -0.00004 -0.00004 0.00008 -0.00005 0.00001 0.00003 -0.00046 -0.00049 -0.00041 0.00053 0.00056 0.00054 0.00017 0.00011 0.00000 0.00016 0.00030 0.00030 0.00022 -0.00009 -0.00027 -0.00034 -0.00037 0.00010 0.00003 -0.00001 0.00013 0.00010 -0.00020 -0.00023 0.00002 0.00006 -0.00011 -0.00008 0.00006 0.00001 0.00010 0.00016 0.00015 0.00012 0.00018 0.00017 0.00018 0.00024 0.00023 -0.00018 -0.00029 -0.00011 -0.00022 -0.00011 -0.00023 -0.00042 -0.00048 -0.00050 -0.00042 -0.00048 -0.00050 -0.00034 -0.00039 -0.00041 -0.00007 -0.00007 -0.00009 0.00004 0.00004 0.00001 -0.00008 -0.00008 -0.00010 -0.00007 -0.00009 0.00004 0.00003 0.00012 0.00017 0.00001 0.00006 -0.00009 -0.00008 -0.00009 -0.00008 -0.00007 -0.00008 -0.00004 -0.00004 -0.00005 -0.00005 -0.00006 -0.00004 -0.00004 -0.00004 -0.00005 -0.00009 -0.00010 0.00000 0.00001 0.00001 0.00002 0.00003 0.00003 0.00004 0.00003 0.00005 0.00009 0.00002 -0.00001 -0.00004 0.00002 -0.00002 0.00001 -0.00011 -0.00006 -0.00003 -0.00009 -0.00000 -0.00012 -0.00004 -0.00004 0.00002 0.00001 -0.00004 -0.00001 -0.00001 -0.00001 0.00001 -0.00004 0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00001 -0.00000 -0.00001 -0.00003 -0.00007 -0.00002 0.00001 0.00001 0.00007 0.00006 0.00005 -0.00003 0.00002 0.00004 0.00003 0.00001 0.00008 -0.00016 -0.00006 0.00003 0.00010 0.00013 -0.00006 0.00004 -0.00002 -0.00007 -0.00000 0.00005 -0.00002 0.00000 -0.00013 0.00009 0.00001 0.00002 -0.00003 -0.00002 -0.00005 0.00008 -0.00001 -0.00001 0.00007 -0.00005 0.00003 -0.00002 0.00003 -0.00000 -0.00001 -0.00002 0.00004 -0.00001 -0.00000 -0.00002 -0.00001 -0.00000 -0.00001 -0.00007 0.00008 0.00001 -0.00002 0.00000 -0.00010 0.00008 0.00001 -0.00003 0.00002 0.00001 0.00001 -0.00002 0.00002 -0.00004 -0.00004 0.00008 -0.00005 0.00001 0.00003 -0.00046 -0.00049 -0.00041 0.00053 0.00056 0.00054 0.00017 0.00011 0.00000 0.00016 0.00030 0.00030 0.00022 -0.00009 -0.00027 -0.00034 -0.00037 0.00010 0.00003 -0.00001 0.00013 0.00010 -0.00020 -0.00023 0.00002 0.00006 -0.00011 -0.00008 0.00006 0.00001 0.00010 0.00016 0.00015 0.00012 0.00018 0.00017 0.00018 0.00024 0.00023 -0.00018 -0.00029 -0.00011 -0.00022 -0.00011 -0.00023 -0.00042 -0.00048 -0.00050 -0.00042 -0.00048 -0.00050 -0.00034 -0.00039 -0.00041 -0.00007 -0.00007 -0.00009 0.00004 0.00004 0.00001 -0.00008 -0.00008 -0.00010 -0.00007 -0.00009 0.00004 0.00003 0.00012 0.00017 0.00001 0.00006 -0.00009 -0.00008 -0.00009 -0.00008 -0.00007 -0.00008 -0.00004 -0.00004 -0.00005 -0.00005 -0.00006 -0.00004 -0.00004 -0.00004 -0.00005 -0.00009 -0.00010 0.00000 0.00001 0.00001 0.00002 0.00003 0.00003 0.00004 0.00003 3.32943 3.31620 2.68326 2.72340 2.67866 2.70792 2.56964 2.73795 2.55662 2.49854 2.49542 2.57746 2.92233 2.89641 2.88802 2.88799 2.06549 2.05976 2.06694 2.05699 2.05772 2.64809 2.64352 2.89354 2.06914 2.06690 2.06733 2.06423 2.06838 2.63334 2.62643 2.04351 2.62452 2.04284 2.62632 2.04463 2.03726 2.03952 1.89907 1.89333 2.12201 1.91080 2.24459 1.78862 1.79261 1.86450 1.89492 1.95755 1.91386 1.90479 1.92697 1.76844 1.93974 1.85612 2.00523 1.95243 1.93042 1.79257 1.88058 1.92425 1.98969 1.95622 1.91523 1.94489 1.88167 1.90578 1.90294 1.91516 1.91298 2.15660 2.07936 2.04712 1.96886 1.90012 1.87475 1.93052 1.92280 1.86292 1.95291 1.93465 1.94008 1.87419 1.87928 1.87950 2.13685 2.02334 2.12300 2.13242 2.06154 2.08917 2.07876 2.09797 2.10646 2.07314 2.10897 2.10107 1.92557 2.13914 2.21840 2.07941 2.09198 2.11179 2.00713 2.12367 2.15234 0.21560 2.27835 -1.87070 -0.49873 1.63971 -2.54142 0.19007 -1.86025 2.31012 -0.48897 -2.59493 1.59848 3.04426 0.00867 -1.68678 0.40078 2.47796 1.32681 -2.86881 -0.79163 -0.00876 3.12004 -3.03475 0.09405 -0.00610 3.12588 0.00464 -3.12344 0.00109 -3.13071 -0.98908 -3.06399 1.12389 1.04211 -1.03279 -3.12810 3.14148 1.06658 -1.02873 -0.86257 2.29596 -2.92514 0.23339 1.25324 -1.87142 0.59038 2.61955 -1.47470 -1.50213 0.52703 2.71597 2.56145 -1.69257 0.49637 2.96921 -1.16406 0.84700 -1.31909 0.83082 2.84188 0.91166 3.06158 -1.21055 -0.00111 3.13994 3.12385 -0.01829 3.13930 -0.01350 0.01358 -3.13922 1.07511 -3.11647 -1.02669 -1.05781 1.03380 3.12358 -3.11328 -1.02167 1.06811 -3.13236 0.01017 0.00975 -3.13091 -0.00036 3.13803 -3.13057 0.00782 -3.13968 0.00428 0.00097 -3.13826 3.13511 -0.00887 -0.00329 3.13592 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000053 0.000008 0.001258 0.000377 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.420167e-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 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 14 14 15 16 16 17 17 18 18 19 21 15 20 8 9 8 10 6 11 19 21 19 21 11 12 10 13 22 23 24 25 26 15 16 14 27 28 29 30 31 17 18 32 20 33 20 34 35 36 1.7618 1.7548 1.4199 1.4412 1.4175 1.433 1.3598 1.4489 1.353 1.3222 1.3205 1.364 1.5464 1.5328 1.5283 1.5283 1.093 1.09 1.0938 1.0885 1.0889 1.4013 1.3989 1.5312 1.0949 1.0938 1.094 1.0924 1.0946 1.3935 1.3898 1.0814 1.3888 1.081 1.3898 1.082 1.0781 1.0793 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 8 8 6 6 11 5 19 3 3 3 4 4 11 3 3 3 10 10 13 4 4 4 9 9 23 5 5 5 8 8 25 8 8 15 9 9 9 14 14 27 13 13 13 29 29 30 1 1 12 12 12 18 15 15 20 16 16 20 5 5 7 2 2 17 6 6 7 3 4 5 5 5 6 7 8 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 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 9 10 11 19 19 21 21 4 11 12 11 12 12 10 13 22 13 22 22 9 23 24 23 24 24 8 25 26 25 26 26 15 16 16 14 27 28 27 28 28 29 30 31 30 31 31 12 17 17 18 32 32 20 33 33 20 34 34 7 35 35 17 18 18 7 36 36 108.8045 108.4767 121.5797 109.4828 128.6044 102.4782 102.7071 106.8276 108.5667 112.1684 109.6597 109.1348 110.4015 101.3168 111.1424 106.3453 114.892 111.8702 110.6048 102.704 107.7505 110.2513 114.0085 112.0778 109.734 111.433 107.8136 109.1938 109.0331 109.7258 109.6059 123.5645 119.1344 117.2943 112.806 108.8703 107.414 110.6109 110.1687 106.739 111.8914 110.8478 111.1583 107.3843 107.6755 107.6875 122.4328 115.9331 121.6341 122.1777 118.1187 119.7005 119.1098 120.1998 120.6905 118.7839 120.8339 120.382 110.3264 122.5649 127.1041 119.1435 119.8644 120.992 115.0029 121.6768 123.3179 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 8 8 8 10 10 10 8 8 8 11 19 6 6 6 19 19 19 6 6 11 11 5 5 21 21 19 19 3 3 3 4 4 4 12 12 12 3 3 4 4 11 11 3 3 3 13 13 13 22 22 22 3 3 3 10 10 10 22 22 22 8 8 16 16 8 8 15 15 9 9 9 27 27 27 28 28 28 1 1 12 12 12 12 32 32 15 15 33 33 16 16 34 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 8 8 8 9 9 9 8 8 8 10 10 10 6 6 11 11 11 11 11 11 19 19 19 19 21 21 19 19 21 21 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 14 17 17 17 17 18 18 18 18 20 20 20 20 20 20 20 4 11 12 10 13 22 3 11 12 9 23 24 21 21 8 25 26 8 25 26 7 35 7 35 7 36 5 35 6 36 5 25 26 5 25 26 5 25 26 15 16 15 16 15 16 4 23 24 4 23 24 4 23 24 14 27 28 14 27 28 14 27 28 1 17 1 17 18 32 18 32 29 30 31 29 30 31 29 30 31 20 33 20 33 20 34 20 34 2 18 2 18 2 17 2 12.3797 130.5679 -107.1596 -28.6055 93.9168 -145.6438 10.8803 -106.5903 132.3602 -28.0253 -148.6955 91.5691 174.4105 0.5017 -96.6301 22.982 141.9978 76.0153 -164.3726 -45.3568 -0.5094 178.7596 -173.8668 5.4022 -0.3505 179.0962 0.272 -178.9555 0.0594 -179.3771 -56.6763 -175.563 64.3856 59.7016 -59.1851 -179.2365 179.9833 61.0966 -58.9548 -49.4114 131.5653 -167.5919 13.3848 71.8119 -107.2114 33.8507 150.1162 -84.4656 -86.0416 30.2239 155.6421 146.7798 -96.9547 28.4635 170.1275 -66.6915 48.5349 -75.5805 47.6005 162.8269 52.239 175.42 -69.3536 -0.0592 179.9104 178.9808 -1.0496 179.8616 -0.7837 0.7774 -179.8679 61.6043 -178.5557 -58.8197 -60.6034 59.2365 178.9725 -178.3752 -58.5352 61.2007 -179.468 0.5863 0.5606 -179.3852 -0.0181 179.7984 -179.363 0.4536 -179.8906 0.2446 0.0549 -179.8099 179.6265 -0.5096 -0.1909 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 589 A 568 A 568 910 589 85 85 2014.6573224852 36 36 36 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 -0.0448729301 0.000000 5.379836 0.000000 3.035676 6.778247 0.000000 4.582184 6.656645 2.278333 0.000000 4.487246 8.220977 2.833150 2.881122 0.000000 5.771617 8.997460 3.893246 3.207930 1.359806 0.000000 6.043085 10.282151 4.065236 4.451091 2.194440 2.265650 0.000000 3.200520 6.090935 1.419907 1.417507 2.475500 3.351199 4.307207 0.000000 4.341747 7.465742 1.441167 2.313503 3.599894 4.321378 4.365631 2.326441 0.000000 5.202607 7.748318 2.297192 1.432960 3.217997 3.478661 4.083668 2.313043 1.528300 0.000000 3.439895 6.797472 2.409547 2.423998 1.448854 2.451884 3.602543 1.546435 3.501552 3.289286 0.000000 2.777750 4.559003 2.451119 2.404814 3.817187 4.674147 5.781420 1.532777 3.329294 3.497495 2.528528 0.000000 4.634569 6.921612 2.449778 3.129216 5.003941 5.733177 5.890543 3.178538 1.528276 2.576341 4.617328 3.555335 0.000000 6.128586 8.103417 3.809930 4.168524 6.104590 6.642655 6.629427 4.545227 2.548403 3.253504 5.936274 5.006412 1.531214 0.000000 1.761831 4.012185 3.029675 3.727762 4.573279 5.633569 6.471258 2.586140 4.122273 4.659049 3.242056 1.401313 4.179030 5.686667 0.000000 4.047148 4.013550 3.593681 2.697581 4.731721 5.296371 6.731433 2.528661 4.099404 3.920363 3.495795 1.398888 4.061104 5.312479 2.391313 0.000000 2.682031 2.716986 4.359775 4.829734 5.895731 6.889193 7.849122 3.866245 5.316812 5.828037 4.507752 2.440072 5.085990 6.509463 1.393512 2.774342 0.000000 4.542046 2.727606 4.774219 4.078392 6.018309 6.610038 8.064784 3.827692 5.300412 5.249930 4.693556 2.441179 4.992112 6.185257 2.782536 1.389846 2.418332 0.000000 4.726251 9.095842 2.996283 3.747551 1.352962 2.215128 1.320538 3.259325 3.643128 3.620638 2.525041 4.654932 5.123422 6.101849 5.217977 5.732673 6.596896 7.013409 0.000000 3.986395 1.754808 5.067138 4.954245 6.499644 7.297139 8.542371 4.336180 5.801274 6.059138 5.093999 2.804237 5.426799 6.720153 2.398710 2.392380 1.388842 1.389825 7.369885 0.000000 6.511994 10.163540 4.440926 4.111916 2.091469 1.322202 1.363980 4.273728 4.674308 3.946675 3.484560 5.718855 6.175162 6.901463 6.612468 6.438881 7.934353 7.785574 2.096823 8.436725 0.000000 4.830694 8.441397 2.039169 3.228069 3.839051 4.551538 4.040979 3.178484 1.093000 2.185141 4.069510 4.295704 2.169326 2.748213 4.945714 5.166597 6.182090 6.363224 3.491015 6.785963 4.597439 0.000000 6.066795 8.000167 3.242132 2.047870 4.227445 4.285988 4.976496 3.189679 2.208910 1.089974 4.261705 4.113358 2.714096 2.949844 5.333883 4.218638 6.363787 5.453110 4.656333 6.399339 4.717519 2.814983 0.000000 5.692426 8.647662 2.772430 2.082023 2.783679 2.796698 3.198472 2.836783 2.188316 1.093798 3.331221 4.237407 3.489931 4.024317 5.361833 4.757890 6.615752 6.130207 3.028542 6.926820 3.004189 2.398947 1.785930 0.000000 4.110951 6.638558 3.342374 2.662673 2.061305 2.534824 4.229443 2.161998 4.299706 3.793458 1.088515 2.761620 5.314854 6.601998 3.583735 3.354157 4.651409 4.472096 3.346381 5.009056 3.782276 4.971001 4.619939 3.842474 0.000000 2.726754 6.663583 2.695881 3.359316 2.079003 3.259162 3.994662 2.171149 4.028084 4.153812 1.088904 2.754959 5.046742 6.457200 2.967201 3.917770 4.205313 4.927847 2.770423 5.031133 4.136009 4.501633 5.162961 4.226820 1.779332 0.000000 4.593186 6.043172 2.747507 2.834374 5.161424 5.828773 6.377617 2.992195 2.148709 2.727160 4.532713 2.994517 1.094941 2.173452 3.733649 3.192402 4.471517 4.030145 5.546978 4.584531 6.474675 3.061531 2.728469 3.789058 5.046749 5.013339 0.000000 4.135464 6.745838 2.584718 3.872429 5.377039 6.295888 6.259220 3.535506 2.128955 3.467001 4.896129 3.707083 1.093760 2.166981 3.953289 4.406689 4.790201 5.178947 5.367288 5.330479 6.719157 2.530150 3.767418 4.295356 5.688113 5.096168 1.756433 0.000000 6.771759 8.470456 4.205872 4.001075 6.120513 6.438247 6.602246 4.705954 2.839611 2.999752 6.050263 5.272193 2.188735 1.093987 6.166012 5.391738 7.006663 6.331256 6.225499 7.066586 6.688918 3.104820 2.365407 3.713490 6.597129 6.726784 2.542239 3.087548 0.000000 6.566392 7.986898 4.610809 4.963206 7.061730 7.637737 7.691220 5.288563 3.494865 4.219472 6.754530 5.483673 2.174483 1.092351 6.037219 5.653165 6.661564 6.316424 7.103208 6.778130 7.960206 3.757261 3.834861 5.063944 7.381868 7.219061 2.517356 2.505720 1.761854 0.000000 6.451046 8.980191 4.081643 4.781133 6.283017 6.846030 6.466285 5.052580 2.807366 3.673512 6.308150 5.694219 2.180033 1.094550 6.287113 6.180713 7.202889 7.112299 6.043098 7.564388 6.906916 2.560655 3.509079 4.214810 7.082832 6.768092 3.086796 2.528234 1.766914 1.765728 0.000000 4.908624 4.869770 3.827713 2.271104 4.657966 4.961975 6.561822 2.682621 4.053986 3.497520 3.634358 2.133582 4.115199 5.175424 3.368093 1.081382 3.855696 2.142518 5.728601 3.374542 6.098888 5.126541 3.613833 4.302055 3.371298 4.310847 3.238056 4.704802 5.034862 5.585267 6.076902 0.000000 2.784755 2.859502 5.051013 5.807303 6.611051 7.690957 8.489019 4.735311 6.071523 6.733917 5.254920 3.415669 5.801347 7.212339 2.150825 3.855372 1.081039 3.399184 7.196099 2.151777 8.685808 6.842935 7.313034 7.491815 5.461604 4.767761 5.287803 5.334192 7.812066 7.304197 7.831472 4.936715 0.000000 5.623699 2.871778 5.681751 4.678778 6.808448 7.247408 8.845260 4.683610 6.051095 5.834455 5.539729 3.420212 5.659559 6.691749 3.864510 2.154966 3.397835 1.081978 7.868624 2.150205 8.448124 7.136710 5.868899 6.724186 5.192081 5.871898 4.619878 5.948356 6.716340 6.742577 7.688207 2.480235 4.292304 0.000000 4.135062 8.931349 2.778377 4.162934 2.136094 3.239515 2.150275 3.390799 3.583991 3.995691 2.847639 4.636342 4.944661 5.985775 4.940787 5.870027 6.311495 7.069010 1.078063 7.241818 3.155068 3.320328 5.058288 3.602766 3.832196 2.750519 5.466138 4.971187 6.295314 6.928234 5.846230 6.038138 6.785297 8.006167 0.000000 7.582466 11.054862 5.424922 4.861623 3.131996 2.100415 2.154632 5.218793 5.498442 4.614498 4.472061 6.650897 6.970418 7.547764 7.615950 7.251891 8.916208 8.600460 3.137913 9.340017 1.079263 5.380101 5.220159 3.598040 4.629632 5.166604 7.264322 7.593793 7.214166 8.617307 7.528596 6.798208 9.700236 9.185033 4.167938 0.000000 C14H15Cl2N3O2 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4383470 0.1585693 0.1441492 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= 568 RedAO= T EigKep= 2.66D-06 NBF= 568 NBsUse= 565 1.00D-06 EigRej= 7.72D-07 NBFU= 565 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= 581 581 581 581 581 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 1 1 -1777.91665930602 -1777.91665931 1 1.772268767286e+03 -8.214135183199e+03 2.649337307052e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839545914 LenY= 1839198404 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= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 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. 11128 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1840250880 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 108 IRICut= 270 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= 108 NMatS0= 108 NMatT0= 0 NMatD0= 108 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 79.84% of shell-pairs survive, threshold= 0.20 IRatSp=80. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 4.08D-14 1.00D-09 XBig12= 2.52D+02 6.70D+00. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 4.08D-14 1.00D-09 XBig12= 5.90D+01 1.08D+00. 108 vectors produced by pass 2 Test12= 4.08D-14 1.00D-09 XBig12= 5.81D-01 5.73D-02. 108 vectors produced by pass 3 Test12= 4.08D-14 1.00D-09 XBig12= 3.03D-03 3.84D-03. 108 vectors produced by pass 4 Test12= 4.08D-14 1.00D-09 XBig12= 9.54D-06 2.65D-04. 101 vectors produced by pass 5 Test12= 4.08D-14 1.00D-09 XBig12= 1.70D-08 1.17D-05. 46 vectors produced by pass 6 Test12= 4.08D-14 1.00D-09 XBig12= 2.42D-11 2.95D-07. 3 vectors produced by pass 7 Test12= 4.08D-14 1.00D-09 XBig12= 3.40D-14 1.45D-08. InvSVY: IOpt=1 It= 1 EMax= 2.31D-14 Solved reduced A of dimension 690 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 211.59 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 276.548 3.923 168.068 5.848 -9.853 190.143 375.648 10.124 234.967 12.482 -26.082 334.685 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT89606.900S Tue Jul 13 08:42:16 2021 -6.44240933e-01 9.48688235e-01 -5.30960316e-02 2.76547929e+02 3.92301268e+00 1.68068453e+02 5.84755717e+00 -9.85281375e+00 1.90143454e+02 -1.4206 -0.0024 -0.0018 -0.0004 1.3865 4.3512 28.8743 33.2158 45.5085 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.8735 33.2131 45.5081 56.7086 71.8726 97.0823 108.3410 126.2041 149.6379 167.1279 174.1090 197.6232 214.7551 233.0567 258.1164 282.4272 295.3268 323.8592 370.2342 385.6117 403.4170 419.4503 448.3793 466.4560 506.2093 516.7593 576.0404 641.6482 676.2088 680.9142 692.7930 722.8159 746.1643 754.4153 798.8635 806.6380 811.7343 844.4563 859.9510 860.1877 881.4313 886.8886 897.3427 961.5161 972.2395 977.2361 979.3067 987.8441 1019.9776 1031.4291 1038.3288 1059.6081 1077.6159 1078.2194 1121.0149 1121.8804 1156.5728 1158.1287 1168.2432 1183.7748 1206.9326 1225.8889 1235.7470 1251.1329 1279.8376 1290.3081 1304.8449 1306.6046 1326.0193 1347.0064 1359.9431 1374.8661 1387.1627 1392.8671 1404.6404 1408.3182 1421.4482 1453.1786 1473.7030 1493.4064 1496.6613 1503.8578 1507.3846 1527.9015 1538.9673 1590.6935 1622.6885 3021.5517 3032.3968 3043.4790 3058.4702 3069.6181 3088.8140 3094.6055 3097.2106 3112.3168 3155.7019 3199.2192 3213.6082 3215.1142 3245.7417 3261.3185 7.6727 5.7052 6.4435 5.4637 4.3637 6.8081 2.1186 2.8066 6.4195 5.6779 6.1021 9.2702 5.1162 1.2741 8.2176 3.8443 6.9138 7.5250 5.3794 1.9467 10.0461 2.2753 4.1356 3.9331 7.6321 5.8477 4.4635 4.5559 4.8562 5.3789 3.7325 5.0709 2.1911 5.0522 3.0772 3.6398 5.3542 1.4583 1.4736 1.7266 2.3229 1.4212 1.3975 1.8299 6.3110 3.8623 2.3560 1.4537 4.8738 3.4177 4.2526 2.9546 3.7847 2.3237 1.7809 2.9450 2.9284 2.1292 1.6063 2.0921 1.7727 1.7266 2.1153 1.5807 1.2769 1.4878 3.0694 5.6055 1.3540 1.9435 1.7025 1.4283 1.6398 2.3247 1.5554 2.5004 1.2256 2.8323 1.2673 1.0687 2.3925 1.0450 1.0730 1.0937 3.9772 7.6498 6.2728 1.0369 1.0613 1.0658 1.0911 1.0947 1.1026 1.1001 1.0585 1.1039 1.1081 1.0895 1.0928 1.0939 1.0972 1.1000 0.0038 0.0037 0.0079 0.0104 0.0133 0.0378 0.0147 0.0263 0.0847 0.0934 0.1090 0.2133 0.1390 0.0408 0.3226 0.1807 0.3553 0.4650 0.4344 0.1705 0.9633 0.2359 0.4899 0.5042 1.1523 0.9201 0.8726 1.1051 1.3083 1.4694 1.0555 1.5609 0.7187 1.6942 1.1571 1.3954 2.0786 0.6127 0.6421 0.7527 1.0633 0.6586 0.6630 0.9967 3.5147 2.1732 1.3312 0.8358 2.9874 2.1422 2.7013 1.9545 2.5895 1.5916 1.3186 2.1839 2.3079 1.6826 1.2916 1.7273 1.5214 1.5287 1.9032 1.4578 1.2323 1.4594 3.0791 5.6384 1.4027 2.0777 1.8552 1.5907 1.8591 2.6573 1.8081 2.9218 1.4591 3.5239 1.6217 1.4044 3.1576 1.3924 1.4365 1.5043 5.5500 11.4044 9.7316 5.5777 5.7501 5.8166 6.0137 6.0771 6.1981 6.2073 5.9823 6.3004 6.5017 6.5698 6.6492 6.6621 6.8100 6.8931 0.3701 0.5164 0.5784 1.4070 1.2507 0.5058 0.0551 0.6891 0.4814 0.2963 0.2565 0.0735 1.4941 0.6387 0.9362 5.5251 1.5379 0.6844 0.3903 1.6593 4.0862 0.5336 3.7910 4.9244 29.4206 5.5803 3.6450 8.5479 22.3307 10.4440 18.2496 2.2622 2.7760 9.8124 12.5024 46.8743 23.4225 27.7436 18.3100 1.6458 15.3520 14.1680 7.4236 8.9204 2.1297 37.7500 21.7498 2.2480 16.2738 16.2434 114.6486 35.1845 33.8010 19.2147 0.9408 61.2425 91.3420 20.0198 4.7817 59.0779 16.5909 11.2194 82.0760 23.3946 2.5113 11.1275 39.7447 2.9334 0.6857 0.2728 1.1556 1.4747 1.0984 15.8983 5.8394 23.0602 4.6155 28.0229 4.4286 1.0055 66.1060 6.2650 8.9741 4.5814 67.5059 22.3142 72.5195 23.3958 17.3280 18.8435 23.3982 17.1034 45.2906 29.5354 9.4685 20.3304 0.9879 0.2686 1.4127 1.0630 2.9680 1.3571 0.05 -0.16 -0.07 0.00 0.23 0.11 -0.00 -0.04 -0.04 0.02 -0.07 -0.05 0.06 -0.01 0.03 0.11 0.03 0.06 0.02 0.05 0.12 0.03 -0.07 -0.04 -0.09 -0.01 -0.06 -0.04 -0.01 -0.04 0.06 -0.05 -0.02 0.02 -0.07 -0.04 -0.18 -0.09 -0.10 -0.29 -0.05 -0.13 0.03 -0.07 -0.03 0.01 -0.01 -0.01 0.03 0.01 0.01 0.01 0.07 0.03 0.01 0.01 0.07 0.01 0.09 0.04 0.09 0.07 0.12 -0.12 0.07 -0.04 -0.08 -0.02 -0.06 -0.02 0.05 -0.01 0.11 -0.05 -0.04 0.05 -0.07 -0.04 -0.15 -0.16 -0.11 -0.18 -0.09 -0.10 -0.29 -0.04 -0.13 -0.34 -0.11 -0.16 -0.31 0.03 -0.12 0.01 -0.01 -0.01 0.03 0.02 0.01 -0.00 0.13 0.06 -0.04 -0.01 0.05 0.11 0.10 0.15 0.05 -0.08 -0.08 -0.04 -0.06 0.08 -0.03 0.03 -0.07 -0.06 0.05 -0.07 -0.03 0.03 0.01 0.07 0.10 0.07 -0.08 -0.02 0.21 -0.04 0.03 -0.07 0.06 -0.00 -0.07 0.00 -0.01 -0.09 -0.03 0.04 -0.10 -0.04 0.02 -0.04 0.15 0.08 -0.03 0.26 0.04 -0.02 0.00 -0.04 -0.04 -0.08 0.06 -0.00 0.00 -0.06 -0.00 -0.08 0.04 0.03 -0.12 -0.04 0.10 -0.04 -0.03 0.03 0.03 0.06 0.19 0.10 -0.08 -0.10 0.02 0.00 -0.08 -0.02 -0.06 -0.13 0.04 0.09 -0.15 -0.09 -0.01 -0.16 0.11 0.15 -0.01 0.16 0.10 -0.02 0.25 0.02 -0.03 0.32 0.10 0.01 0.29 -0.04 -0.04 -0.11 0.11 -0.00 0.03 -0.11 -0.00 -0.11 0.08 0.06 -0.20 -0.10 0.07 0.09 0.10 0.26 -0.08 -0.14 -0.00 -0.03 0.08 -0.03 -0.07 -0.00 0.05 -0.01 -0.09 0.04 0.02 0.03 0.05 -0.04 -0.05 0.02 0.03 0.32 -0.11 -0.02 -0.06 0.06 0.03 -0.05 0.01 0.02 -0.11 0.01 0.02 -0.04 0.13 -0.02 -0.07 0.02 0.11 0.04 -0.03 0.23 -0.01 -0.07 -0.05 -0.08 0.00 0.00 -0.03 0.03 -0.05 -0.04 -0.02 0.00 0.01 0.01 0.06 0.25 -0.02 -0.02 0.01 -0.01 -0.03 0.12 -0.08 0.05 -0.09 -0.00 0.05 -0.13 -0.01 0.01 -0.14 0.02 0.01 -0.12 0.17 0.08 0.00 0.18 0.10 0.08 -0.03 0.10 0.11 -0.02 0.25 -0.08 -0.08 0.29 0.06 -0.10 0.25 -0.05 -0.08 0.02 -0.02 0.04 -0.07 -0.05 -0.03 0.02 0.05 0.01 0.11 0.35 -0.02 -0.07 0.11 -0.13 -0.01 0.14 0.04 -0.01 0.08 0.03 -0.01 -0.09 -0.05 -0.03 -0.05 -0.04 0.02 -0.02 -0.03 0.04 0.15 -0.02 -0.03 0.11 0.04 -0.01 -0.08 -0.05 0.01 -0.09 -0.02 -0.04 -0.04 -0.04 0.02 -0.07 -0.06 -0.00 -0.09 -0.05 0.03 -0.08 0.07 0.07 -0.09 0.18 -0.01 0.04 0.00 0.00 -0.21 -0.09 -0.01 0.08 0.02 -0.00 -0.18 -0.08 -0.02 -0.04 0.01 -0.01 -0.02 -0.01 0.02 0.22 0.02 0.03 -0.13 -0.03 -0.08 -0.02 -0.00 -0.03 -0.01 -0.09 0.04 -0.07 -0.07 0.02 -0.07 -0.07 0.03 -0.01 0.05 0.03 -0.15 0.06 0.09 -0.03 0.20 0.09 -0.08 0.22 0.07 -0.17 0.20 0.00 -0.31 -0.13 -0.02 0.20 0.07 0.00 -0.27 -0.11 -0.05 -0.17 0.01 0.03 0.36 0.04 -0.03 -0.03 0.03 0.01 -0.01 -0.04 0.02 -0.00 0.04 0.02 -0.03 0.04 -0.02 -0.03 0.00 -0.07 0.27 -0.04 -0.00 -0.08 -0.02 0.01 -0.01 0.05 0.03 -0.01 0.02 0.04 -0.05 0.03 -0.01 -0.02 0.05 0.01 0.01 0.05 0.03 -0.00 -0.04 -0.00 -0.01 -0.21 -0.01 -0.01 0.03 0.02 0.04 0.05 -0.01 -0.01 0.00 0.02 0.04 0.03 0.02 -0.23 0.02 0.01 0.01 0.00 -0.06 0.22 -0.05 0.02 0.01 0.02 0.08 -0.06 0.01 0.03 -0.08 0.05 -0.06 -0.03 0.07 0.02 -0.00 0.08 -0.00 -0.09 0.02 0.07 0.09 -0.00 -0.09 -0.10 -0.26 -0.00 -0.01 -0.22 0.05 0.07 -0.29 0.03 0.06 0.07 -0.02 -0.03 -0.01 0.04 0.06 0.03 0.06 -0.47 0.06 -0.09 0.41 -0.09 0.05 0.07 0.00 0.04 -0.10 -0.03 0.11 -0.11 -0.03 0.07 -0.06 -0.03 -0.08 -0.13 -0.01 -0.04 -0.11 0.02 -0.16 0.26 0.03 0.02 -0.04 -0.03 0.07 -0.09 -0.00 0.07 -0.06 -0.01 -0.08 -0.09 -0.07 0.02 0.09 0.01 0.01 -0.16 0.03 -0.10 -0.12 -0.02 0.03 0.07 0.01 0.01 0.20 0.06 0.03 0.04 0.01 0.01 0.20 0.07 -0.16 0.10 -0.00 0.03 0.08 0.02 -0.08 0.12 0.04 0.06 -0.08 -0.00 0.07 -0.05 0.01 0.07 -0.06 -0.01 -0.07 -0.02 -0.11 -0.14 -0.11 -0.12 -0.01 -0.22 0.06 0.06 -0.17 0.05 -0.18 -0.10 -0.05 -0.14 -0.18 0.03 -0.06 -0.06 -0.08 0.01 0.25 0.07 0.04 -0.02 -0.01 -0.00 0.27 0.09 -0.21 0.15 -0.03 -0.06 0.18 0.07 0.00 -0.01 0.00 0.01 -0.02 -0.01 0.01 0.03 -0.02 0.03 -0.07 -0.03 -0.00 -0.03 0.04 -0.04 0.03 0.01 0.01 -0.01 -0.01 0.01 -0.02 0.00 -0.03 0.03 -0.07 -0.00 -0.02 -0.06 -0.00 -0.02 0.07 0.01 0.01 0.01 -0.05 0.02 -0.15 0.02 0.02 0.16 0.01 -0.00 0.00 0.01 0.05 0.02 0.01 -0.01 -0.00 0.00 0.06 0.02 0.02 -0.05 0.02 0.01 0.02 0.01 -0.03 0.04 -0.02 -0.05 0.08 -0.06 -0.03 -0.05 -0.09 0.01 0.01 -0.03 -0.03 -0.07 0.10 0.01 0.02 0.11 0.09 0.14 -0.34 -0.26 -0.10 -0.26 0.38 0.10 0.32 -0.02 0.03 -0.05 -0.23 -0.07 0.45 0.01 0.07 0.03 0.01 -0.03 -0.01 0.00 0.09 0.04 0.05 -0.09 0.03 -0.05 0.08 -0.04 0.04 0.01 -0.04 0.00 0.00 0.06 -0.07 -0.01 0.06 0.05 0.08 0.06 -0.03 -0.01 -0.03 -0.02 -0.01 -0.02 -0.05 0.03 -0.00 -0.01 0.03 0.00 -0.02 -0.02 0.10 0.15 -0.06 0.17 -0.03 0.02 -0.05 0.00 0.01 -0.04 -0.04 0.00 -0.12 0.02 -0.01 -0.05 0.02 0.01 -0.02 -0.00 -0.04 -0.05 0.02 0.00 -0.01 -0.01 -0.07 -0.04 -0.05 0.01 -0.02 0.01 -0.03 -0.01 -0.03 0.01 -0.00 -0.11 -0.01 0.22 0.35 -0.05 0.15 0.10 -0.20 0.29 -0.03 0.08 -0.08 -0.06 -0.01 -0.09 0.10 0.00 -0.27 -0.24 0.04 -0.20 0.31 -0.08 0.06 -0.02 0.01 -0.33 -0.19 0.02 0.16 -0.01 -0.06 -0.07 0.03 0.02 0.01 -0.02 -0.11 -0.04 -0.07 0.02 -0.03 -0.02 0.02 0.01 -0.12 0.09 0.04 -0.09 -0.07 0.01 -0.04 -0.09 0.00 -0.04 0.01 0.00 0.14 0.13 -0.07 0.19 0.06 -0.04 0.16 -0.06 0.02 -0.02 -0.05 -0.03 -0.00 -0.10 0.03 0.05 -0.10 0.05 0.12 0.01 -0.08 -0.04 -0.03 -0.01 -0.01 -0.10 -0.07 0.02 -0.11 -0.04 -0.06 0.01 -0.00 -0.07 0.11 0.05 -0.07 0.04 0.00 -0.08 0.18 0.07 0.13 0.05 -0.03 -0.09 0.08 0.03 0.20 -0.04 0.01 -0.04 -0.10 0.08 0.16 -0.08 0.06 0.01 -0.19 0.08 0.18 0.00 -0.10 0.17 -0.05 -0.10 0.06 -0.10 -0.15 -0.12 -0.08 -0.12 0.20 -0.16 0.03 0.00 -0.09 -0.21 -0.11 -0.09 0.09 -0.09 0.15 0.05 -0.06 0.01 0.00 -0.08 0.28 0.10 0.10 0.07 -0.05 0.22 -0.11 0.05 -0.05 -0.16 0.06 0.02 -0.03 -0.10 0.09 0.00 -0.00 -0.07 0.06 0.00 -0.01 0.02 -0.08 0.06 -0.01 -0.04 -0.04 0.01 0.03 0.00 0.03 0.02 0.05 0.02 -0.04 0.00 0.01 -0.05 -0.01 0.03 -0.12 0.00 0.04 0.11 0.01 -0.01 -0.08 -0.01 0.01 -0.00 -0.02 0.15 0.15 0.03 -0.09 0.05 -0.03 0.28 0.16 0.04 -0.11 0.02 -0.07 0.03 -0.04 0.00 0.10 0.08 0.03 -0.01 0.03 0.05 0.05 -0.05 0.02 0.01 -0.04 -0.02 -0.05 -0.08 -0.00 0.15 -0.17 -0.03 -0.06 -0.19 0.08 -0.01 -0.15 -0.06 -0.04 -0.12 0.19 -0.00 0.08 -0.08 -0.02 -0.19 -0.17 0.05 0.16 0.05 -0.21 0.02 -0.06 0.39 0.19 0.07 -0.30 -0.06 -0.13 0.06 -0.07 0.07 -0.03 0.08 0.03 -0.04 -0.16 -0.03 -0.13 0.07 -0.09 -0.01 0.00 0.09 -0.08 -0.01 0.03 -0.00 0.10 -0.05 0.02 0.05 0.07 -0.02 -0.03 -0.00 -0.03 -0.02 -0.05 -0.02 0.03 -0.00 -0.01 0.04 0.02 -0.04 0.14 -0.01 0.04 -0.10 -0.02 0.01 0.07 0.01 -0.01 0.01 -0.01 0.18 -0.04 -0.03 -0.01 -0.10 -0.01 0.33 0.05 -0.04 0.02 -0.06 0.10 -0.02 0.05 -0.03 0.17 0.02 -0.02 0.01 -0.03 -0.06 -0.05 0.05 -0.03 -0.02 0.03 0.03 0.06 0.08 0.02 -0.17 0.20 0.05 0.06 0.22 -0.08 0.02 0.14 0.05 0.04 0.11 -0.20 0.01 -0.08 0.08 0.02 0.22 0.19 -0.07 -0.16 -0.04 -0.11 -0.16 0.01 0.42 0.10 -0.06 -0.10 -0.10 0.17 -0.05 0.08 -0.07 0.02 -0.09 0.30 0.06 -0.02 0.02 0.04 -0.22 -0.18 -0.04 0.05 -0.11 -0.06 0.04 -0.00 0.04 -0.03 0.02 0.02 -0.02 -0.00 -0.03 0.00 -0.08 -0.08 0.03 -0.20 -0.04 0.06 -0.18 -0.02 0.06 0.00 -0.04 -0.02 -0.05 -0.09 0.03 -0.13 0.05 0.02 0.14 -0.05 -0.06 0.00 -0.03 0.08 -0.02 -0.00 0.06 -0.02 0.02 0.13 -0.01 0.08 0.12 -0.01 0.01 -0.02 0.00 0.05 0.11 0.02 -0.02 0.00 -0.21 -0.05 0.07 -0.22 -0.02 0.06 -0.15 0.04 0.07 0.03 0.00 -0.06 0.04 -0.13 -0.07 -0.13 0.13 0.01 -0.16 0.17 0.02 0.22 -0.21 -0.06 0.28 0.12 -0.15 0.15 -0.16 -0.05 -0.02 -0.01 0.06 -0.02 0.03 0.14 -0.04 0.12 0.15 -0.03 0.02 -0.02 0.03 -0.05 0.02 0.13 0.01 -0.08 -0.10 0.04 -0.07 0.10 0.01 0.01 -0.07 0.05 0.01 -0.01 0.10 0.09 -0.07 0.06 0.06 0.05 -0.03 -0.02 -0.03 0.04 0.03 0.19 -0.04 -0.04 0.11 -0.11 -0.05 -0.01 0.05 0.09 -0.05 0.05 0.03 0.13 -0.12 -0.01 -0.14 -0.03 0.05 -0.05 0.01 0.01 -0.07 -0.01 0.02 -0.06 -0.04 0.03 -0.07 -0.08 0.02 0.06 0.05 0.05 -0.08 -0.06 0.02 -0.03 -0.02 -0.01 0.21 -0.05 -0.07 0.23 -0.10 -0.05 0.05 -0.27 -0.08 0.01 -0.02 0.13 0.02 0.10 0.14 0.15 -0.21 0.00 0.15 -0.22 -0.01 -0.06 0.06 0.10 -0.31 -0.20 -0.04 -0.26 0.14 0.14 -0.09 -0.00 0.00 -0.03 -0.05 0.04 -0.07 -0.12 0.00 0.12 0.07 0.07 -0.07 -0.07 -0.06 0.00 -0.01 0.02 0.00 0.00 -0.02 -0.03 0.02 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.02 0.07 -0.06 0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.02 0.01 -0.09 -0.01 0.02 0.05 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.04 0.03 0.02 0.18 -0.07 -0.01 0.04 -0.14 0.09 -0.00 0.02 -0.01 0.00 -0.00 -0.02 0.03 0.05 -0.15 -0.09 -0.05 -0.12 -0.45 0.26 -0.09 0.09 0.01 0.60 0.32 -0.21 -0.25 -0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.03 -0.02 0.04 0.20 -0.01 0.06 -0.06 -0.06 -0.02 -0.10 -0.01 -0.04 -0.10 0.36 0.04 -0.15 0.20 0.03 -0.03 -0.14 0.00 -0.09 0.00 -0.02 -0.02 -0.11 -0.02 -0.06 -0.07 -0.05 -0.07 0.09 0.05 -0.00 0.03 -0.01 -0.03 -0.15 -0.02 0.03 -0.19 -0.01 0.05 0.01 0.00 0.07 0.03 -0.05 0.08 0.01 -0.04 0.09 0.03 -0.08 -0.05 0.19 0.03 0.14 0.02 -0.05 -0.10 -0.11 0.01 -0.01 -0.11 -0.04 -0.05 -0.04 -0.00 -0.07 -0.09 -0.10 0.00 -0.03 0.09 0.03 0.12 0.11 -0.01 -0.14 -0.04 -0.04 -0.16 -0.03 0.03 -0.20 -0.01 0.09 -0.13 0.02 0.06 -0.26 -0.02 0.12 0.03 -0.01 0.03 0.01 -0.07 0.07 0.02 -0.07 -0.02 0.27 0.03 -0.11 -0.31 -0.01 0.01 -0.00 -0.03 -0.08 0.02 0.00 0.19 -0.06 0.02 0.12 -0.03 0.02 -0.00 0.05 0.01 -0.01 0.03 0.01 0.01 -0.01 0.00 0.05 0.03 0.04 -0.05 0.02 0.03 -0.04 0.14 0.01 -0.01 0.01 0.01 0.01 0.13 0.06 -0.13 -0.06 -0.07 0.12 -0.16 -0.04 -0.02 0.06 0.01 -0.01 0.05 0.04 -0.03 -0.03 -0.01 -0.02 -0.11 -0.02 0.00 0.03 0.00 -0.05 -0.09 -0.03 -0.00 -0.01 0.00 -0.10 0.15 0.03 -0.23 0.14 0.05 0.03 0.32 -0.04 -0.00 0.04 -0.01 -0.00 -0.01 -0.01 -0.05 -0.00 -0.17 -0.24 -0.02 -0.11 0.03 -0.19 -0.08 0.32 0.03 0.12 0.27 -0.40 -0.14 -0.03 0.07 0.04 -0.01 -0.06 -0.01 0.01 -0.17 -0.05 0.01 0.05 0.00 -0.00 -0.04 0.00 -0.01 0.00 -0.00 0.05 -0.01 0.00 0.08 -0.04 -0.04 -0.31 0.32 -0.01 0.04 -0.19 0.17 -0.05 -0.12 0.11 0.09 0.08 -0.05 -0.01 0.06 -0.06 -0.02 -0.01 0.01 -0.06 0.07 -0.00 0.02 0.04 -0.00 0.00 -0.03 -0.02 -0.08 -0.08 -0.07 0.06 -0.14 -0.03 0.02 -0.02 -0.02 0.00 -0.01 -0.02 0.02 0.02 -0.01 0.01 0.05 -0.01 0.14 -0.10 0.10 0.03 0.04 -0.00 -0.04 0.06 -0.04 -0.05 0.04 0.03 0.09 0.13 0.07 -0.15 -0.13 -0.06 0.11 -0.00 -0.01 -0.16 0.12 -0.02 0.01 -0.06 -0.16 -0.18 -0.07 -0.11 0.01 -0.14 -0.05 0.19 -0.03 0.08 0.16 -0.29 -0.08 -0.01 0.00 -0.02 0.01 0.02 -0.02 0.00 0.07 0.00 0.26 -0.14 0.15 -0.11 0.17 -0.14 -0.02 -0.06 0.16 -0.05 0.02 -0.10 -0.09 -0.02 -0.18 0.25 0.08 -0.19 -0.02 0.04 0.10 -0.11 0.03 0.07 0.02 -0.02 -0.03 0.05 0.05 -0.24 -0.03 -0.02 0.01 0.15 0.12 0.04 -0.01 0.05 -0.03 0.03 -0.04 -0.11 -0.02 -0.03 0.07 0.01 -0.05 -0.01 0.10 -0.04 0.01 -0.09 -0.05 -0.04 0.07 -0.02 0.10 -0.10 -0.00 0.11 0.04 0.02 0.06 -0.03 -0.01 0.14 -0.08 -0.01 -0.02 -0.09 -0.10 0.12 0.20 0.16 0.09 0.17 0.17 0.15 0.09 -0.10 0.01 -0.12 0.21 0.03 -0.07 -0.03 0.13 0.06 -0.00 0.11 0.09 -0.16 -0.00 0.03 -0.01 -0.15 -0.03 -0.00 0.02 -0.17 -0.06 -0.09 0.15 -0.03 0.14 -0.18 0.02 0.16 0.12 0.03 0.09 -0.13 -0.03 -0.09 -0.01 -0.02 0.02 0.07 0.05 -0.00 -0.14 0.02 -0.04 -0.03 -0.04 -0.08 0.04 -0.07 0.01 0.07 -0.05 0.01 0.06 0.03 -0.01 -0.07 0.02 -0.05 -0.08 -0.02 -0.04 0.01 -0.12 -0.01 -0.01 -0.01 -0.01 -0.05 0.22 0.04 -0.03 0.01 0.07 -0.01 -0.01 0.01 0.00 0.15 0.06 -0.07 0.27 0.07 0.02 0.01 0.04 -0.03 -0.18 -0.06 0.07 -0.05 0.00 0.04 -0.23 -0.05 0.06 0.03 -0.01 -0.07 -0.06 -0.04 0.20 -0.14 -0.06 -0.03 -0.24 0.15 0.01 -0.04 -0.00 -0.01 0.01 0.00 -0.14 0.03 0.19 0.11 0.01 0.14 0.05 -0.10 0.02 0.00 0.02 -0.09 -0.04 0.02 0.04 -0.09 0.44 0.12 0.02 0.07 0.06 -0.08 -0.32 -0.08 0.09 -0.09 0.01 0.05 0.08 -0.02 0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 0.03 -0.02 -0.03 0.06 -0.01 0.01 -0.02 -0.10 0.07 -0.02 -0.07 -0.05 0.01 0.04 0.01 0.03 -0.02 -0.00 0.01 -0.00 0.02 0.01 0.00 0.01 0.01 0.17 0.00 0.00 -0.02 -0.02 -0.03 0.01 0.01 -0.06 -0.00 0.02 -0.00 -0.01 -0.01 -0.01 -0.02 0.02 -0.00 0.01 -0.02 0.00 0.01 -0.07 -0.02 -0.06 -0.00 0.01 0.02 0.04 0.00 0.03 -0.01 0.02 0.00 0.07 0.02 -0.00 -0.00 -0.04 0.02 -0.27 -0.36 0.45 0.23 0.35 0.50 -0.03 -0.04 0.03 0.00 -0.04 0.02 0.03 -0.09 0.00 0.04 -0.02 -0.02 0.02 -0.08 -0.00 -0.03 -0.01 -0.03 0.03 -0.01 0.01 -0.03 0.00 0.02 -0.16 -0.03 -0.09 0.09 0.00 0.10 0.19 -0.09 0.26 -0.21 -0.03 0.06 -0.03 0.02 -0.02 -0.04 0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.03 0.00 -0.03 0.01 -0.04 -0.01 0.00 0.01 0.00 0.01 0.01 0.03 -0.03 -0.00 0.03 0.00 -0.02 0.01 0.03 -0.00 0.06 0.08 0.06 -0.02 0.01 0.11 -0.26 0.07 0.09 -0.30 0.00 -0.00 0.00 -0.02 0.09 -0.33 0.00 0.00 -0.00 -0.03 0.01 -0.03 0.11 -0.06 -0.04 -0.02 -0.12 0.06 -0.01 -0.02 0.02 0.00 0.03 0.02 -0.08 0.01 0.08 0.04 -0.01 0.06 0.03 -0.06 0.01 0.02 0.01 -0.03 -0.01 -0.02 0.02 0.22 0.07 0.08 -0.14 0.16 -0.34 0.24 0.12 -0.39 0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 0.01 -0.03 -0.01 -0.01 0.00 0.14 0.00 -0.04 -0.03 -0.01 -0.03 -0.01 0.02 0.01 -0.02 0.02 0.01 -0.00 -0.01 -0.00 0.02 -0.01 0.00 -0.10 0.08 -0.07 0.07 -0.12 0.01 0.00 0.00 -0.01 0.02 -0.01 0.02 -0.12 0.06 0.10 0.02 0.00 0.02 -0.01 -0.01 -0.00 0.03 -0.06 0.01 -0.01 -0.02 -0.01 0.02 0.02 0.02 -0.01 0.02 0.01 -0.00 0.03 0.01 -0.01 -0.01 -0.00 -0.10 0.19 -0.09 0.42 -0.22 -0.17 -0.01 -0.35 0.34 0.02 0.03 -0.04 -0.01 -0.02 -0.04 -0.29 0.12 0.28 0.11 0.07 0.21 0.11 -0.16 0.02 0.12 0.14 -0.10 0.02 -0.04 0.04 0.03 -0.10 -0.01 -0.01 -0.06 -0.02 0.04 0.03 0.02 -0.00 0.04 0.00 -0.02 -0.02 -0.00 0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.17 0.21 0.05 0.06 -0.04 0.00 0.01 -0.05 -0.00 0.03 -0.04 -0.00 0.02 0.03 -0.01 -0.01 0.10 0.08 0.03 0.06 -0.07 0.04 -0.00 -0.08 -0.02 0.11 -0.03 -0.01 0.07 0.05 -0.02 -0.12 0.03 0.00 -0.20 0.01 -0.03 0.10 0.05 0.03 -0.13 -0.03 -0.02 -0.10 -0.03 0.01 0.07 0.03 0.02 -0.05 -0.01 -0.00 0.07 0.02 0.02 0.02 -0.01 0.05 0.07 -0.10 0.02 -0.03 -0.12 0.05 0.02 -0.06 -0.01 0.32 -0.14 -0.09 -0.05 -0.17 -0.08 -0.18 0.11 0.12 -0.20 0.08 0.06 -0.28 0.02 0.09 -0.10 -0.03 0.01 -0.27 0.02 0.05 -0.33 -0.09 -0.02 -0.31 -0.12 0.03 0.08 0.03 0.03 -0.08 0.00 0.02 0.06 -0.01 0.02 -0.03 0.03 0.04 0.01 -0.00 0.07 -0.12 -0.02 -0.02 -0.01 -0.01 0.01 0.00 0.00 0.02 -0.00 0.00 0.03 0.00 0.00 -0.04 -0.02 -0.03 -0.02 -0.06 0.05 -0.04 -0.01 0.04 -0.02 -0.05 0.01 -0.06 0.17 0.02 0.02 0.06 -0.02 -0.00 0.11 -0.01 -0.02 0.25 0.09 -0.06 -0.14 -0.11 0.01 -0.16 -0.07 -0.08 0.10 -0.01 0.03 0.00 0.00 -0.00 0.04 0.01 0.03 0.00 0.00 -0.03 -0.08 0.06 -0.06 0.01 0.08 -0.03 0.00 0.01 -0.02 -0.15 0.06 0.02 0.02 0.08 0.07 0.09 -0.08 -0.07 0.11 -0.05 -0.04 0.16 -0.01 -0.06 0.04 0.02 -0.01 0.15 -0.01 -0.04 -0.45 -0.23 0.02 -0.52 -0.21 -0.12 0.10 0.02 0.04 -0.00 0.00 0.02 0.01 -0.00 0.05 -0.02 0.10 0.18 -0.00 -0.00 0.16 0.04 0.05 0.07 -0.07 0.08 0.00 -0.02 -0.01 0.04 -0.03 -0.00 0.03 0.02 0.00 -0.07 0.06 0.08 0.04 0.09 -0.02 0.04 0.01 -0.00 -0.05 0.05 0.01 -0.21 -0.03 -0.10 -0.03 -0.01 0.01 0.01 -0.04 0.00 -0.11 -0.23 -0.07 -0.27 0.04 -0.14 -0.12 0.05 0.01 -0.27 0.00 -0.17 0.03 -0.03 -0.01 -0.05 0.11 -0.01 0.04 0.02 0.00 0.04 0.18 -0.05 0.01 -0.06 -0.09 0.05 0.04 0.04 -0.03 0.20 -0.07 -0.06 -0.09 -0.10 -0.05 -0.02 0.04 0.02 -0.03 0.03 0.03 -0.09 0.00 0.07 0.03 -0.01 0.03 -0.09 0.00 -0.25 0.10 -0.10 -0.22 0.20 0.00 -0.40 -0.10 -0.13 0.04 -0.04 -0.01 0.04 0.04 0.00 -0.04 -0.02 0.06 -0.09 0.01 -0.04 0.04 0.04 0.15 -0.11 -0.06 0.11 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.03 -0.00 0.10 0.01 0.03 -0.01 -0.09 -0.10 -0.04 0.01 -0.00 -0.00 0.12 0.09 -0.19 -0.02 -0.00 -0.00 -0.00 -0.02 0.01 0.27 0.05 -0.15 -0.05 0.06 -0.18 0.26 0.01 -0.01 -0.08 -0.02 0.04 -0.01 0.01 -0.01 0.02 -0.02 0.12 -0.00 -0.00 -0.00 0.06 0.12 -0.11 -0.09 -0.15 -0.10 -0.09 -0.12 -0.05 0.03 0.19 -0.11 -0.02 -0.18 -0.14 -0.03 -0.01 0.02 0.01 -0.02 0.01 0.01 -0.03 0.01 0.03 0.01 0.01 0.01 -0.05 0.01 -0.20 0.07 -0.29 0.45 -0.02 0.10 -0.22 -0.07 0.10 -0.02 0.03 -0.01 0.00 -0.01 0.01 -0.01 0.02 -0.00 -0.03 -0.02 -0.01 -0.03 -0.05 -0.01 -0.00 -0.02 -0.06 -0.00 0.00 0.00 0.02 -0.02 0.01 0.02 0.02 -0.00 -0.04 0.04 -0.02 -0.03 -0.06 0.02 -0.03 -0.03 0.01 -0.05 0.03 -0.00 0.00 0.19 0.09 0.01 0.01 -0.00 -0.00 0.03 -0.00 0.03 -0.21 -0.07 0.05 0.07 0.04 0.02 -0.08 -0.02 0.06 -0.16 -0.03 0.02 -0.02 -0.00 -0.00 0.35 0.14 0.02 0.01 0.00 -0.02 -0.09 0.02 -0.02 0.01 0.06 -0.03 -0.02 -0.00 -0.05 -0.02 0.03 -0.03 0.08 0.04 0.03 0.03 -0.03 -0.04 0.04 -0.02 -0.02 0.05 -0.01 -0.03 -0.01 0.00 -0.01 0.06 -0.00 0.06 -0.12 -0.03 0.04 -0.30 -0.10 0.11 -0.68 -0.24 0.04 -0.05 0.01 0.02 0.02 -0.00 -0.00 0.00 -0.01 -0.02 0.00 0.00 0.06 -0.07 0.05 0.02 -0.09 -0.09 -0.02 0.19 -0.03 0.03 -0.18 0.02 -0.01 0.12 -0.01 -0.05 0.09 -0.00 -0.03 -0.08 0.05 -0.06 -0.07 0.01 -0.05 0.29 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 0.04 -0.00 0.01 -0.04 -0.01 0.04 -0.05 -0.03 0.01 0.04 0.04 0.04 0.05 0.03 0.02 -0.19 0.02 0.03 -0.09 -0.02 0.01 0.04 -0.00 0.00 -0.06 -0.00 -0.05 -0.03 0.06 -0.05 -0.05 0.03 -0.10 0.26 0.04 -0.02 0.32 0.04 0.04 0.05 -0.05 -0.09 0.06 -0.03 -0.02 0.06 -0.01 -0.03 -0.00 0.01 0.00 0.08 -0.01 0.05 0.01 -0.00 -0.00 0.20 0.10 0.02 0.23 0.10 0.08 -0.59 0.07 0.01 0.05 0.00 -0.01 0.01 -0.03 0.04 0.00 -0.01 -0.03 0.03 -0.01 -0.01 0.03 0.05 0.02 0.22 -0.02 -0.05 -0.10 0.01 -0.08 0.10 -0.02 0.07 -0.08 -0.01 0.01 0.04 -0.03 0.03 0.03 -0.00 0.16 -0.10 -0.01 0.06 -0.07 0.06 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.09 0.07 0.06 -0.16 -0.02 0.20 0.10 0.01 -0.15 -0.14 -0.05 -0.05 -0.03 -0.14 0.04 -0.08 0.09 -0.02 -0.06 -0.02 -0.00 -0.00 0.03 -0.00 0.02 0.00 -0.04 0.03 0.02 -0.00 0.24 -0.13 -0.02 0.24 -0.15 -0.01 -0.03 -0.02 0.03 0.05 -0.02 0.02 0.01 -0.02 0.01 0.02 0.01 -0.00 -0.00 -0.04 0.01 -0.17 -0.02 0.20 0.12 -0.16 -0.21 -0.00 -0.15 -0.16 -0.03 -0.54 0.08 -0.05 -0.11 0.02 -0.01 0.02 -0.04 0.03 0.01 -0.01 0.01 -0.02 0.07 0.01 -0.06 -0.12 0.01 -0.18 0.02 0.01 0.07 -0.01 0.03 -0.10 0.02 0.03 0.07 -0.03 -0.02 -0.06 0.07 -0.07 -0.06 0.01 -0.04 0.17 0.01 0.07 -0.01 0.12 0.01 0.00 0.01 0.00 0.02 -0.00 0.13 -0.06 0.04 -0.16 -0.14 0.23 0.15 0.09 -0.15 -0.14 0.03 -0.02 -0.00 0.12 -0.02 -0.07 -0.02 -0.08 0.01 0.03 -0.00 0.03 -0.03 -0.01 -0.02 -0.02 0.07 -0.07 -0.07 0.03 -0.14 0.18 0.03 -0.13 0.24 0.01 0.08 0.02 -0.08 -0.12 0.04 -0.04 -0.03 0.01 -0.02 -0.03 -0.01 -0.00 0.01 0.06 -0.02 -0.15 -0.13 0.24 0.15 0.18 -0.11 0.03 0.14 -0.08 -0.03 0.47 -0.07 0.00 0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.02 -0.00 -0.11 0.01 -0.02 0.24 -0.02 -0.01 0.25 -0.03 -0.00 0.02 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.03 0.02 -0.01 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.01 -0.02 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 0.03 -0.10 0.01 -0.00 -0.01 -0.01 0.04 -0.27 0.03 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.07 0.03 -0.00 -0.05 0.03 -0.01 0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.02 0.01 0.01 0.05 0.01 0.00 0.03 0.01 0.07 -0.28 0.04 0.10 -0.81 0.10 -0.02 0.01 -0.02 -0.02 0.00 -0.01 -0.03 0.00 -0.10 0.00 0.04 0.10 -0.06 0.09 -0.01 0.06 -0.03 0.03 0.08 0.01 0.00 -0.11 -0.00 0.02 0.01 0.03 -0.05 0.06 0.06 0.01 -0.21 -0.20 -0.00 -0.03 0.22 0.13 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.10 -0.20 -0.03 -0.02 -0.13 0.03 0.11 0.10 -0.00 -0.02 0.12 0.02 0.05 -0.02 -0.02 0.04 -0.13 -0.05 0.07 0.02 0.01 -0.06 -0.03 0.04 -0.01 0.02 -0.03 0.07 0.07 -0.03 -0.16 -0.21 -0.02 -0.11 -0.24 0.01 -0.08 -0.01 0.08 0.13 -0.02 0.04 0.03 0.02 0.02 0.01 -0.00 0.01 -0.02 -0.05 0.03 0.05 -0.38 -0.03 0.09 0.44 0.13 0.02 0.19 0.03 0.15 -0.15 0.02 0.05 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.12 0.08 0.04 0.07 0.06 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.05 -0.08 -0.09 -0.13 0.08 0.02 -0.07 -0.01 0.07 0.01 0.01 -0.02 -0.01 -0.02 -0.00 -0.09 0.01 0.04 -0.02 0.00 0.01 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.16 -0.00 -0.06 -0.05 0.09 0.03 0.12 0.11 -0.19 -0.06 0.05 0.03 -0.02 0.10 0.03 -0.42 0.01 0.36 0.49 0.12 0.16 0.14 0.31 0.09 -0.02 -0.02 0.10 -0.11 -0.13 0.15 -0.01 0.04 0.03 0.01 -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.04 -0.01 0.00 0.00 0.00 0.02 -0.01 0.03 0.04 0.00 0.01 -0.04 -0.00 0.14 -0.01 0.04 -0.12 0.08 -0.01 0.00 -0.07 -0.00 -0.02 -0.09 -0.01 -0.01 0.12 -0.02 -0.00 -0.02 -0.04 0.01 -0.02 -0.02 -0.04 0.26 -0.04 -0.01 0.05 0.27 0.06 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.07 -0.13 -0.15 0.02 -0.04 -0.04 -0.12 0.05 0.01 -0.01 0.09 0.09 -0.05 0.00 0.04 -0.09 -0.11 -0.05 -0.08 -0.01 -0.01 0.01 0.03 -0.06 0.06 0.05 0.05 -0.02 -0.04 -0.04 0.31 -0.09 -0.00 0.27 -0.03 -0.01 -0.04 0.01 0.03 0.03 0.03 0.01 0.01 0.05 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.06 -0.46 -0.28 -0.11 0.32 0.13 0.01 -0.08 0.02 -0.15 0.03 0.00 -0.06 -0.02 0.02 -0.01 0.01 -0.02 -0.02 0.00 -0.00 0.04 0.05 -0.15 -0.01 -0.05 0.07 0.05 -0.04 0.01 -0.02 0.01 -0.02 -0.04 -0.00 -0.00 -0.02 0.00 -0.02 -0.07 0.03 -0.03 -0.12 0.01 0.18 0.13 0.08 0.01 -0.05 0.03 0.03 0.12 -0.04 -0.09 0.02 -0.05 -0.03 0.03 -0.04 0.05 -0.01 0.01 -0.02 0.04 -0.01 0.05 -0.01 0.05 -0.05 -0.02 -0.00 0.02 0.08 -0.02 0.00 -0.03 -0.01 -0.01 -0.06 0.04 -0.03 -0.03 -0.04 0.12 -0.11 -0.00 0.36 0.14 0.11 -0.01 0.11 0.04 -0.03 -0.10 -0.13 0.17 0.40 0.12 0.06 0.07 0.35 0.07 -0.17 -0.30 0.16 -0.14 -0.09 0.15 0.07 -0.14 -0.04 -0.01 0.03 0.03 -0.06 -0.09 -0.07 -0.09 0.09 -0.01 -0.02 -0.01 0.01 -0.02 0.01 -0.04 -0.04 0.00 -0.01 -0.03 -0.07 -0.04 0.01 0.01 0.09 0.06 -0.04 0.01 -0.03 0.01 -0.02 -0.05 -0.01 -0.00 -0.03 0.00 0.02 0.03 -0.05 -0.00 0.11 -0.01 -0.13 0.15 0.09 0.01 -0.10 0.01 0.05 -0.09 0.03 0.08 -0.01 0.05 0.03 0.05 -0.07 0.14 -0.03 0.02 -0.04 0.07 -0.03 0.10 -0.03 0.08 -0.12 -0.03 -0.01 0.02 0.17 -0.02 0.01 -0.04 -0.01 -0.01 -0.03 -0.15 0.10 -0.07 -0.03 -0.15 0.13 0.06 -0.31 0.16 0.07 0.02 0.16 0.05 -0.01 0.08 0.15 -0.15 -0.32 -0.13 -0.05 -0.08 -0.31 -0.07 0.12 0.23 -0.15 0.12 0.13 -0.14 0.14 -0.16 -0.00 -0.03 0.02 0.05 -0.13 -0.10 -0.13 -0.10 0.11 -0.02 -0.02 -0.01 0.02 0.02 -0.01 0.04 0.05 0.00 0.01 -0.04 -0.05 -0.27 -0.01 -0.03 0.28 0.01 -0.04 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.04 0.01 0.03 -0.03 -0.05 -0.04 0.02 -0.04 -0.03 0.01 0.17 0.02 0.10 0.04 -0.03 -0.01 0.01 0.05 0.00 0.02 0.02 -0.04 0.05 -0.17 0.03 0.00 0.06 -0.06 0.04 -0.11 0.02 -0.02 0.16 -0.01 0.00 -0.00 -0.18 -0.03 -0.02 -0.00 0.00 -0.00 -0.11 -0.26 0.12 -0.17 -0.16 -0.17 0.05 0.04 -0.11 -0.04 0.24 0.01 -0.05 0.16 -0.01 0.11 0.17 -0.13 -0.21 -0.13 -0.06 -0.11 -0.20 -0.07 -0.01 0.03 -0.11 0.08 0.21 -0.11 -0.12 -0.17 -0.12 0.06 0.04 -0.03 0.16 -0.19 0.03 -0.02 0.04 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.03 0.00 0.01 0.01 0.02 -0.01 0.00 -0.01 0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.02 0.03 -0.02 -0.02 -0.01 -0.00 -0.00 -0.00 0.05 -0.01 0.02 -0.00 0.08 0.03 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.08 -0.03 0.00 0.01 0.00 0.00 -0.11 -0.04 -0.01 -0.00 0.01 -0.01 0.05 0.02 -0.01 -0.00 -0.00 -0.03 -0.04 0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.07 0.04 -0.01 0.05 -0.07 -0.02 0.02 0.05 -0.02 -0.02 -0.02 -0.01 -0.03 -0.02 -0.01 -0.03 -0.04 -0.02 0.01 0.07 -0.02 -0.03 0.51 0.20 0.01 -0.01 -0.00 -0.05 0.74 0.28 -0.03 0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 0.01 0.00 -0.00 0.05 -0.01 -0.00 0.00 0.01 0.01 0.05 -0.01 -0.01 -0.01 -0.00 -0.02 0.01 -0.02 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.02 -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 0.01 0.02 -0.18 0.02 -0.01 -0.00 -0.00 0.00 -0.02 0.00 -0.01 0.02 -0.04 0.03 0.00 -0.02 -0.00 0.00 0.05 -0.01 -0.03 0.01 0.01 0.00 0.01 0.04 0.06 -0.03 -0.02 -0.05 -0.02 -0.04 -0.04 -0.02 -0.04 -0.05 -0.03 0.01 0.08 -0.03 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.15 0.93 -0.15 -0.02 0.13 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.04 0.03 0.05 -0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.07 -0.12 -0.00 -0.11 -0.02 0.05 -0.00 -0.01 -0.01 0.04 0.00 -0.02 -0.00 0.09 -0.02 0.02 0.04 -0.05 0.04 0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.02 -0.01 -0.01 0.04 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.08 0.03 -0.17 0.19 0.03 -0.05 -0.02 -0.00 0.26 -0.01 0.10 -0.02 -0.03 -0.11 -0.03 0.16 0.34 -0.16 -0.10 -0.20 -0.09 -0.23 -0.15 -0.10 -0.24 -0.31 -0.12 0.06 0.45 -0.13 0.01 -0.06 -0.02 0.00 -0.00 0.00 -0.02 -0.10 -0.05 0.03 -0.20 0.02 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.09 -0.03 0.02 -0.12 0.00 0.01 0.01 0.02 0.00 -0.06 -0.02 0.01 0.00 -0.03 0.01 0.14 0.00 -0.06 0.05 0.06 0.03 -0.00 0.01 -0.03 0.20 0.00 -0.03 -0.01 -0.03 -0.00 -0.00 -0.00 0.02 -0.02 0.01 0.01 -0.02 -0.00 0.01 -0.00 0.02 0.02 -0.02 -0.00 0.01 0.02 -0.02 -0.02 -0.03 -0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.08 -0.14 0.19 0.05 0.14 0.15 0.04 0.02 -0.09 0.13 0.53 -0.12 -0.08 -0.54 -0.21 -0.05 -0.08 0.05 0.01 0.11 0.03 0.06 0.10 0.03 0.04 0.05 0.04 -0.03 -0.09 0.04 -0.01 -0.03 -0.03 0.05 -0.05 -0.03 0.00 -0.13 -0.03 -0.06 0.08 -0.05 0.04 0.12 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 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 0.02 -0.00 0.02 0.01 0.01 -0.16 -0.06 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.02 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.02 -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 -0.06 -0.02 -0.05 0.91 0.34 -0.00 0.03 0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.03 0.00 -0.01 0.03 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.00 0.02 -0.18 0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 0.01 0.00 0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.03 -0.14 0.03 -0.11 0.96 -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.03 0.03 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.03 -0.01 0.00 0.05 -0.06 -0.14 -0.06 -0.04 0.14 0.00 0.00 0.02 -0.01 -0.00 -0.00 -0.04 -0.07 -0.02 -0.02 0.12 0.03 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 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.16 0.04 -0.31 -0.10 0.15 0.42 -0.03 0.06 0.05 0.03 0.02 -0.00 -0.01 -0.03 -0.01 -0.06 -0.06 0.00 0.08 -0.44 -0.02 0.03 -0.25 -0.03 0.24 0.44 -0.15 0.14 0.02 -0.12 0.00 0.01 0.00 0.01 0.00 -0.01 0.01 -0.02 0.00 0.01 0.00 0.01 0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 -0.04 0.00 0.03 -0.00 -0.02 -0.00 -0.16 -0.19 -0.03 -0.05 0.33 0.07 0.28 0.17 -0.03 0.04 -0.01 -0.05 -0.00 -0.04 -0.05 0.01 -0.01 -0.00 -0.01 0.08 0.01 0.02 -0.01 -0.02 0.00 0.00 0.03 -0.00 -0.01 -0.00 -0.01 -0.02 0.01 0.01 -0.05 -0.03 0.07 -0.05 0.01 -0.09 0.12 -0.00 -0.17 0.04 0.00 0.00 -0.21 -0.01 0.15 0.02 -0.07 -0.03 -0.04 0.02 0.11 -0.03 -0.03 -0.02 -0.20 0.13 -0.02 0.02 -0.02 -0.01 -0.01 -0.03 0.00 -0.02 -0.03 0.00 0.02 0.01 0.00 0.03 0.06 -0.01 0.01 -0.00 -0.01 -0.01 -0.10 -0.04 -0.07 -0.03 0.06 -0.10 0.12 -0.03 -0.34 -0.11 -0.33 -0.42 -0.02 -0.10 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.16 -0.03 -0.04 0.02 0.02 -0.04 0.04 0.03 0.06 0.01 0.06 -0.07 -0.02 -0.08 0.24 -0.01 -0.06 -0.08 -0.17 0.03 0.03 -0.11 0.03 -0.08 -0.03 0.01 0.12 0.01 0.01 -0.02 0.02 -0.01 0.02 -0.02 0.02 -0.02 -0.00 -0.01 -0.03 0.02 0.02 -0.08 -0.04 0.12 -0.06 0.02 -0.13 -0.03 -0.02 0.01 0.06 0.01 0.00 0.08 0.01 -0.03 -0.14 0.00 0.07 -0.30 0.07 0.33 0.06 0.04 -0.37 -0.14 0.08 -0.03 -0.21 0.02 -0.00 -0.13 0.25 0.05 0.01 0.03 0.01 -0.10 -0.01 -0.03 -0.11 -0.15 -0.05 0.01 0.21 -0.03 -0.02 -0.16 -0.05 -0.13 -0.06 0.08 -0.12 0.17 -0.06 0.14 0.06 0.06 0.11 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.11 -0.03 0.05 0.06 0.01 -0.02 0.02 0.02 0.04 0.00 0.01 -0.04 -0.01 -0.04 0.13 -0.04 0.06 0.05 0.08 -0.01 -0.12 0.01 -0.05 -0.04 0.02 0.04 0.06 0.01 0.01 0.01 -0.04 0.02 -0.02 0.05 -0.03 -0.01 -0.01 -0.01 -0.02 0.04 0.03 -0.03 -0.02 0.06 -0.04 -0.02 -0.08 -0.02 -0.01 0.01 0.03 0.00 0.00 0.04 0.01 -0.02 0.20 -0.12 -0.15 0.25 -0.12 -0.28 -0.15 -0.14 0.35 -0.08 0.15 -0.01 -0.13 0.00 -0.01 0.14 -0.33 -0.05 -0.09 0.03 -0.01 0.14 0.09 0.04 0.13 0.19 0.08 -0.02 -0.23 0.05 0.01 -0.26 -0.09 -0.05 -0.04 0.04 -0.08 0.24 0.03 0.07 0.04 0.03 0.07 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 0.02 0.02 0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.05 0.02 0.02 -0.00 -0.01 0.01 -0.04 -0.02 -0.02 -0.01 -0.02 -0.00 0.03 0.03 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.12 -0.04 -0.02 -0.03 0.02 -0.02 0.10 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.04 -0.05 -0.03 0.03 -0.03 -0.04 -0.04 -0.04 0.05 -0.03 -0.00 -0.00 -0.01 0.01 0.01 0.02 -0.06 -0.01 -0.04 0.03 -0.00 0.03 0.04 0.01 0.02 0.02 0.02 -0.01 -0.04 0.02 -0.02 0.71 0.30 -0.02 0.06 0.05 0.01 -0.52 -0.22 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.05 -0.03 -0.03 -0.06 -0.01 -0.04 -0.11 -0.03 0.05 0.42 0.00 -0.02 -0.10 -0.01 0.01 0.19 -0.01 -0.01 0.00 0.03 0.04 0.01 0.06 0.01 -0.09 -0.01 -0.02 0.02 -0.01 -0.06 0.01 0.02 0.05 -0.01 0.01 0.00 -0.00 0.01 0.02 -0.03 0.02 0.01 -0.02 -0.01 -0.01 0.01 -0.07 -0.02 -0.17 -0.02 -0.01 0.01 0.09 0.01 0.00 -0.09 -0.10 0.13 0.11 0.10 0.08 0.02 0.01 0.07 -0.26 -0.07 0.06 0.44 0.06 0.11 0.00 -0.10 -0.00 -0.01 -0.08 0.01 0.02 0.06 -0.00 0.02 0.05 -0.01 0.02 0.06 -0.00 0.01 -0.04 -0.05 0.05 0.01 -0.01 -0.07 0.01 0.04 -0.19 -0.07 -0.22 -0.22 -0.07 -0.39 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.07 -0.04 0.09 0.10 -0.02 0.00 -0.00 -0.01 -0.00 0.01 0.05 -0.00 -0.00 -0.01 -0.02 0.02 0.07 0.09 0.05 -0.04 -0.09 -0.17 0.04 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.03 0.27 -0.02 -0.11 -0.19 0.02 0.00 -0.01 0.02 0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.03 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.20 -0.03 -0.16 -0.24 0.05 0.36 -0.00 0.05 -0.21 -0.01 0.01 0.01 0.07 -0.04 0.01 -0.00 0.39 -0.01 0.04 0.35 -0.01 -0.08 -0.29 0.02 -0.03 -0.11 0.01 -0.08 -0.30 0.02 0.01 -0.04 -0.03 0.00 0.01 -0.02 -0.01 0.01 0.02 -0.04 -0.01 -0.04 -0.03 -0.01 -0.05 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.07 -0.13 0.02 -0.16 -0.14 -0.06 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.07 -0.16 -0.02 0.09 0.19 -0.05 0.14 0.13 0.13 -0.02 0.11 0.03 0.07 0.06 0.03 0.05 0.08 -0.08 -0.05 -0.06 0.06 -0.01 0.02 -0.09 -0.01 -0.05 0.02 -0.03 -0.03 0.06 -0.02 0.03 -0.07 -0.01 -0.00 -0.02 0.04 0.00 0.01 0.01 0.00 0.00 -0.15 0.20 0.25 -0.07 0.09 0.11 0.11 0.13 -0.07 -0.05 0.18 -0.00 -0.11 0.10 -0.02 -0.08 0.16 0.06 0.34 -0.27 -0.00 -0.10 -0.38 -0.03 0.05 0.08 -0.14 0.08 -0.01 -0.10 -0.01 0.17 0.12 0.04 -0.02 0.11 -0.00 -0.03 -0.10 -0.02 -0.01 -0.02 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.07 -0.01 -0.00 -0.07 0.03 -0.00 -0.03 -0.00 -0.02 -0.10 -0.03 -0.00 0.02 0.01 -0.01 0.25 0.01 0.02 0.00 0.01 -0.02 0.01 -0.03 -0.01 -0.16 0.02 -0.03 0.02 -0.02 -0.02 0.00 0.02 0.01 -0.00 -0.01 0.02 -0.05 0.00 0.02 -0.01 0.01 -0.00 0.00 -0.03 0.01 -0.03 0.07 0.03 0.20 -0.00 -0.01 0.02 -0.05 -0.01 -0.02 -0.12 -0.06 0.19 0.01 0.13 0.20 0.03 0.03 -0.03 -0.49 -0.23 0.10 0.29 0.23 0.15 -0.02 -0.02 0.00 0.01 -0.02 0.01 -0.01 0.04 -0.01 -0.02 -0.04 -0.00 0.00 0.06 0.00 0.06 -0.05 -0.00 0.10 -0.02 0.06 -0.09 0.01 -0.00 0.31 0.12 0.29 0.05 0.04 0.11 -0.01 0.01 -0.03 0.01 0.00 0.00 -0.02 0.01 -0.01 -0.03 -0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.16 -0.14 0.00 -0.00 0.00 -0.00 0.02 0.02 0.01 -0.04 0.04 0.00 -0.01 0.02 0.07 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.06 -0.11 0.28 0.07 0.06 -0.20 0.01 0.05 -0.14 -0.03 -0.04 0.12 0.01 0.00 0.01 -0.10 -0.00 -0.01 0.00 0.00 0.01 -0.02 -0.01 0.03 0.02 0.02 0.01 0.02 0.02 0.01 -0.19 0.12 0.01 -0.10 0.09 0.01 0.02 -0.02 0.00 0.01 0.00 -0.00 0.00 -0.03 0.00 0.02 0.02 -0.01 0.01 -0.02 -0.01 -0.14 0.22 -0.29 -0.36 0.12 -0.36 -0.38 -0.15 0.27 0.09 0.02 0.04 0.03 0.01 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.07 -0.02 0.05 0.06 -0.02 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.00 0.04 0.19 0.06 -0.05 -0.15 -0.01 0.01 -0.02 0.03 -0.00 -0.00 -0.01 -0.05 -0.11 -0.03 0.10 0.04 0.02 0.00 -0.01 0.03 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.03 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.21 0.37 0.32 -0.36 -0.15 0.03 0.03 0.07 -0.27 0.10 0.01 -0.01 -0.04 -0.05 -0.02 -0.15 -0.05 0.07 0.15 -0.24 0.04 -0.09 0.10 -0.06 -0.14 -0.20 -0.05 0.06 0.39 -0.03 -0.03 -0.00 -0.03 -0.06 0.01 -0.04 0.00 -0.00 0.02 -0.04 -0.01 -0.04 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.09 -0.01 0.08 0.02 -0.08 0.05 0.00 0.05 -0.01 0.04 0.01 -0.02 0.01 0.02 -0.12 -0.02 0.10 0.09 -0.01 -0.06 0.00 0.00 -0.01 0.02 -0.00 -0.01 0.01 -0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.00 -0.01 -0.04 -0.00 0.01 0.00 0.00 -0.00 0.29 0.11 -0.37 -0.03 0.12 0.23 0.07 0.07 -0.05 0.02 0.03 0.01 -0.04 0.04 -0.01 0.03 0.02 -0.08 -0.35 0.22 0.03 0.00 0.42 -0.01 -0.17 -0.33 0.13 -0.12 0.14 0.12 0.10 0.02 0.06 0.13 -0.02 0.08 0.02 0.01 -0.03 -0.03 -0.02 -0.02 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.03 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.00 0.02 0.02 0.00 -0.03 0.01 0.00 0.02 -0.00 -0.00 -0.01 -0.02 0.01 -0.03 -0.03 -0.00 0.03 0.02 -0.00 -0.02 -0.08 0.02 -0.08 -0.11 -0.04 0.07 -0.01 0.04 -0.10 0.04 -0.04 0.13 0.00 0.00 0.01 0.32 0.02 -0.01 -0.00 -0.00 -0.00 0.08 0.00 -0.10 0.01 0.05 0.09 0.01 0.01 -0.00 -0.06 0.03 0.00 0.01 0.01 0.01 0.01 0.02 -0.02 -0.09 0.06 0.01 0.00 0.10 -0.00 -0.04 -0.08 0.03 -0.03 0.02 0.03 -0.44 0.03 -0.11 -0.50 0.13 -0.41 -0.19 -0.11 0.26 0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.04 -0.07 -0.02 -0.03 -0.10 0.03 -0.02 0.00 0.00 -0.02 -0.00 -0.01 -0.00 -0.01 -0.05 0.01 0.25 0.02 0.12 -0.03 -0.02 -0.03 0.09 0.02 0.03 -0.07 -0.01 0.10 -0.02 -0.03 -0.10 0.02 -0.04 0.04 -0.02 0.02 0.06 -0.02 0.08 -0.00 0.02 -0.02 -0.06 -0.02 0.04 0.00 0.01 -0.01 0.02 -0.00 -0.04 -0.04 0.00 -0.02 -0.02 0.01 0.08 0.16 -0.05 -0.07 0.32 0.17 0.09 -0.19 -0.27 0.02 0.11 -0.09 -0.02 0.08 -0.05 0.02 -0.24 0.21 0.07 0.05 0.06 0.03 -0.11 0.01 -0.04 -0.09 -0.13 -0.06 0.01 0.20 -0.01 -0.23 0.01 -0.18 -0.25 0.01 -0.07 0.13 0.04 -0.08 0.22 0.06 0.02 0.12 0.05 0.28 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 0.00 0.01 0.02 -0.01 -0.05 -0.01 -0.01 -0.04 -0.00 0.00 -0.01 -0.01 -0.11 -0.01 -0.07 0.00 -0.03 0.01 0.00 0.01 -0.02 -0.00 0.04 0.03 -0.01 -0.04 0.01 0.01 0.03 -0.01 0.01 -0.01 0.00 -0.01 -0.03 0.01 -0.03 0.00 -0.01 0.01 0.02 0.01 -0.02 -0.00 -0.00 0.00 0.05 -0.01 -0.13 0.02 -0.00 0.01 -0.05 0.02 0.21 -0.04 0.01 0.02 -0.07 -0.04 -0.01 0.05 0.07 -0.02 0.08 -0.01 0.00 0.04 0.04 -0.00 0.07 -0.06 -0.02 -0.02 -0.02 -0.01 0.03 0.00 0.01 0.02 0.03 0.02 -0.01 -0.06 0.01 0.10 -0.01 0.07 0.10 -0.00 0.03 -0.07 -0.02 0.04 0.60 0.10 0.04 0.25 0.10 0.62 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.03 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.03 0.02 0.00 -0.07 0.04 -0.04 0.06 -0.04 0.02 0.00 -0.00 0.00 0.05 0.02 -0.04 0.05 -0.01 0.06 -0.02 0.01 -0.04 0.07 -0.02 0.06 -0.06 -0.00 -0.01 -0.05 -0.02 0.06 0.05 0.01 -0.01 0.01 0.00 0.02 -0.03 0.01 -0.02 -0.01 -0.00 0.01 -0.04 0.01 -0.07 -0.24 -0.07 0.02 0.17 0.24 0.01 -0.09 0.05 0.01 0.11 -0.08 -0.00 0.21 -0.12 -0.08 -0.12 -0.04 -0.02 0.10 0.07 0.03 0.05 0.05 0.08 -0.05 -0.17 0.04 -0.44 0.08 -0.23 -0.20 -0.00 -0.03 0.50 0.11 -0.22 0.09 0.02 0.04 -0.00 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.05 0.00 -0.05 -0.04 -0.01 -0.01 0.01 0.06 0.00 -0.00 -0.03 0.02 0.00 -0.00 -0.00 0.17 0.02 -0.08 0.05 -0.05 0.07 -0.03 0.03 0.01 -0.04 -0.02 0.08 -0.03 0.03 0.06 -0.01 0.07 -0.03 0.01 -0.05 -0.02 0.00 -0.00 0.07 0.01 -0.00 -0.01 0.01 -0.02 -0.07 0.00 -0.01 -0.02 -0.01 -0.03 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.05 -0.01 -0.08 -0.22 -0.01 0.10 0.14 0.17 -0.04 0.25 -0.20 -0.02 -0.08 0.07 0.03 0.23 -0.09 -0.10 -0.12 -0.08 -0.03 0.12 0.09 0.03 0.05 0.06 0.09 -0.06 -0.20 0.05 0.27 -0.06 0.09 -0.06 0.01 -0.05 -0.56 -0.11 0.21 -0.15 -0.02 -0.07 0.04 0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.02 0.01 -0.00 -0.01 -0.04 0.01 0.14 0.01 -0.00 -0.05 0.05 0.00 -0.01 0.00 -0.07 0.11 -0.00 -0.00 -0.00 -0.02 0.00 -0.03 -0.00 0.02 -0.06 -0.01 -0.00 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 -0.04 0.00 -0.02 -0.00 -0.00 0.00 0.03 0.00 -0.00 -0.05 -0.02 -0.08 0.00 -0.00 0.01 0.03 0.00 -0.01 -0.11 -0.11 0.17 0.14 0.15 0.15 -0.04 -0.07 -0.01 0.40 -0.38 0.02 -0.27 0.33 0.05 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.23 0.05 -0.13 -0.00 -0.00 0.01 0.25 0.05 -0.11 -0.33 -0.07 -0.18 0.12 0.02 0.10 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.12 -0.01 0.02 0.10 0.01 -0.02 -0.04 0.01 0.10 -0.06 -0.03 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.06 0.02 -0.00 0.06 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.08 0.00 -0.00 0.00 -0.03 -0.00 -0.02 -0.01 -0.03 0.04 0.01 -0.01 -0.02 0.01 0.02 0.04 0.22 -0.12 0.02 0.02 0.03 -0.01 -0.02 0.00 0.01 0.00 0.02 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.02 -0.00 -0.03 0.01 -0.02 -0.10 0.01 -0.04 -0.08 -0.01 0.02 0.66 0.13 0.14 -0.38 -0.10 -0.48 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.04 0.00 0.01 0.04 -0.02 0.03 -0.01 0.01 -0.03 -0.00 0.01 0.01 -0.00 -0.03 -0.17 -0.09 0.02 0.06 -0.05 0.01 -0.00 0.00 0.02 -0.02 0.04 -0.01 0.17 0.00 0.02 -0.05 0.00 -0.05 0.02 -0.00 0.04 0.06 0.01 -0.01 0.03 -0.00 0.01 -0.07 -0.01 0.02 -0.04 0.01 -0.03 0.00 0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 0.11 -0.16 -0.01 -0.19 -0.28 -0.35 0.15 0.30 0.31 0.03 -0.07 0.03 0.09 -0.04 -0.02 -0.13 -0.02 0.05 0.04 0.17 0.02 -0.09 -0.07 -0.02 -0.04 -0.04 -0.06 0.04 0.14 -0.03 -0.04 0.02 -0.03 -0.30 0.03 -0.12 -0.28 -0.05 0.07 -0.23 -0.05 -0.07 0.15 0.04 0.18 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.04 0.00 -0.03 -0.02 0.01 0.03 0.01 0.00 -0.02 0.01 0.00 0.01 0.10 0.08 0.04 0.02 -0.04 0.00 0.03 -0.01 0.04 0.01 -0.03 -0.01 -0.09 -0.02 0.02 -0.03 0.00 -0.04 0.01 0.00 0.04 -0.05 -0.01 0.01 -0.02 0.01 -0.02 0.04 0.01 -0.02 0.03 -0.00 0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.17 -0.14 -0.16 -0.30 -0.31 -0.32 0.23 0.40 0.36 0.04 -0.04 -0.02 -0.08 0.09 0.03 -0.09 -0.09 0.04 0.03 0.21 0.01 -0.09 -0.10 -0.02 -0.03 -0.02 -0.07 0.05 0.11 -0.04 -0.08 0.01 -0.06 0.27 -0.03 0.12 0.13 0.02 -0.03 0.05 0.02 0.00 -0.03 -0.01 -0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.08 -0.03 -0.04 -0.04 0.01 0.03 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.01 0.05 -0.01 -0.01 -0.09 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.16 -0.21 0.33 -0.09 -0.18 -0.22 -0.01 0.05 0.14 -0.00 0.01 -0.00 -0.02 -0.00 -0.00 -0.06 0.54 -0.03 0.01 -0.48 -0.00 0.13 0.22 0.02 0.01 -0.03 0.16 -0.14 -0.15 0.10 -0.05 0.01 -0.04 0.09 -0.01 0.05 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.05 0.01 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.08 0.01 -0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.12 0.02 -0.04 -0.05 0.00 -0.01 -0.03 0.00 -0.01 0.02 -0.00 0.01 -0.01 -0.00 -0.00 -0.03 -0.04 0.09 -0.00 0.00 0.01 0.00 -0.06 0.02 -0.06 -0.06 -0.06 0.03 0.06 0.07 -0.01 -0.00 -0.01 -0.05 0.05 0.01 -0.02 0.06 0.00 0.00 -0.04 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.56 -0.12 0.37 -0.54 0.09 -0.32 0.22 0.05 -0.09 0.00 0.00 -0.00 -0.02 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.09 0.01 0.01 0.18 0.02 -0.04 0.03 -0.02 -0.19 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.01 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 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.04 0.01 0.06 0.00 -0.00 0.01 -0.18 0.01 0.22 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.07 0.01 0.00 -0.15 0.05 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 -0.05 0.01 -0.04 0.03 -0.00 0.02 -0.03 -0.01 0.01 -0.32 -0.05 -0.02 -0.70 -0.15 -0.41 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.03 0.01 0.01 0.01 -0.00 -0.03 -0.02 -0.00 0.01 -0.01 0.00 0.02 -0.01 0.04 -0.06 -0.01 -0.02 0.05 0.00 0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.14 0.36 0.02 -0.02 0.01 -0.02 0.00 -0.02 0.13 0.06 -0.13 -0.15 0.05 -0.15 -0.17 0.05 -0.15 0.18 0.06 -0.12 0.02 0.00 0.01 0.01 -0.09 0.23 0.01 -0.00 -0.02 0.08 0.38 -0.18 -0.00 -0.05 -0.09 -0.04 -0.08 -0.11 0.01 0.06 -0.02 -0.04 -0.04 -0.01 -0.03 0.21 0.00 0.00 -0.08 -0.01 0.06 0.02 0.02 0.03 0.04 0.04 -0.02 -0.06 0.00 -0.29 0.09 -0.24 0.30 -0.03 0.12 -0.18 -0.03 0.04 0.05 0.01 0.02 0.06 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.04 -0.01 -0.00 -0.00 -0.03 0.00 0.03 0.01 -0.00 -0.01 0.02 0.00 -0.01 -0.01 -0.01 0.03 0.02 -0.05 0.07 0.01 0.01 -0.03 0.01 0.00 -0.02 0.01 0.01 -0.03 0.05 -0.08 0.01 -0.05 0.01 -0.02 -0.01 -0.00 0.01 0.02 -0.00 0.01 0.02 -0.01 0.02 -0.02 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 0.01 -0.02 0.00 0.00 0.00 0.04 0.72 -0.18 0.02 -0.01 -0.05 0.06 0.09 0.13 -0.06 0.00 0.01 0.06 0.01 0.01 -0.08 0.52 0.01 -0.05 0.19 0.00 0.13 0.01 0.05 0.09 0.15 0.04 0.01 -0.07 -0.05 0.01 -0.01 0.01 -0.05 0.01 -0.02 0.02 0.01 -0.01 -0.04 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.13 0.01 -0.10 -0.01 0.01 0.05 -0.11 -0.01 0.04 0.00 0.01 0.00 0.05 0.01 -0.06 -0.02 -0.02 -0.04 -0.07 -0.01 0.03 0.00 -0.00 0.00 0.02 -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 0.10 0.01 -0.03 -0.00 -0.00 0.00 -0.04 -0.01 -0.01 -0.22 0.02 0.27 0.04 0.14 0.18 0.07 0.15 0.27 0.37 -0.12 -0.05 -0.47 0.18 -0.00 0.01 0.12 -0.02 -0.10 0.41 0.02 0.03 -0.00 0.04 0.06 0.10 -0.03 0.05 0.04 -0.06 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.11 0.01 -0.03 -0.03 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.04 0.00 -0.00 0.01 -0.08 -0.00 0.03 -0.01 -0.01 -0.03 0.07 0.00 -0.03 0.01 0.01 -0.06 0.05 0.02 -0.13 -0.03 -0.01 0.02 0.05 -0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.08 0.02 -0.03 -0.00 0.03 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 -0.01 0.02 0.00 -0.01 -0.06 -0.00 0.03 0.00 -0.00 0.01 0.04 0.01 0.01 -0.34 -0.16 0.42 -0.05 0.02 0.07 -0.05 -0.05 0.05 -0.23 0.14 0.01 0.24 -0.12 -0.01 0.05 0.06 -0.05 -0.17 0.62 0.03 0.03 -0.01 0.04 0.06 0.12 -0.05 0.07 0.06 -0.09 0.01 -0.00 0.02 0.06 -0.01 0.04 -0.06 -0.02 0.03 -0.02 0.00 0.06 0.02 -0.00 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.02 0.03 -0.04 0.00 0.00 -0.00 -0.00 -0.01 0.03 0.00 -0.01 -0.02 0.00 -0.04 0.02 0.01 0.04 -0.01 -0.05 -0.13 0.05 -0.03 0.00 -0.00 0.00 0.00 -0.01 0.05 -0.01 0.01 -0.02 -0.01 0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.02 -0.00 -0.00 0.02 0.00 -0.00 -0.02 -0.00 0.01 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 0.07 0.14 0.33 0.38 0.21 0.38 0.57 -0.18 0.17 -0.02 -0.05 0.06 0.02 -0.01 -0.08 0.02 0.07 -0.26 -0.01 -0.03 0.07 -0.01 0.01 -0.02 -0.02 -0.03 0.03 0.02 0.01 -0.00 0.02 0.04 -0.01 0.04 -0.08 -0.02 0.04 -0.01 0.00 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.03 -0.05 -0.06 -0.01 -0.02 0.04 0.00 -0.03 0.06 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.01 -0.03 -0.12 0.10 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.07 -0.00 0.06 0.00 -0.00 0.00 0.07 0.01 0.05 0.03 -0.02 -0.01 0.01 0.08 0.10 0.04 0.07 0.13 0.53 -0.43 0.07 0.42 -0.42 -0.12 -0.02 0.04 0.01 0.02 -0.05 -0.00 0.01 0.02 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.01 0.02 -0.00 0.02 0.02 -0.00 0.01 0.01 0.00 -0.00 0.12 0.03 0.14 -0.07 -0.02 -0.15 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.02 0.00 0.10 0.13 0.02 0.04 -0.07 -0.00 0.04 0.06 0.01 -0.03 0.01 0.00 -0.01 -0.01 -0.01 -0.02 -0.06 0.06 -0.02 -0.02 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.03 -0.00 0.01 -0.03 -0.00 0.01 -0.03 0.00 -0.01 0.04 0.00 0.00 0.13 0.00 -0.09 0.00 0.01 -0.02 -0.16 -0.03 -0.08 -0.03 -0.02 0.06 0.01 0.06 0.08 0.03 0.05 0.12 -0.13 -0.21 0.12 0.57 -0.46 -0.12 0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.03 0.01 0.02 0.02 -0.01 0.00 0.02 -0.01 0.04 -0.02 0.05 0.09 -0.02 0.07 -0.08 -0.03 0.06 -0.25 -0.07 -0.23 0.09 0.05 0.26 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.05 -0.11 -0.07 -0.02 0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 0.03 -0.01 0.11 0.03 0.02 -0.03 0.00 -0.06 0.00 -0.01 0.03 0.01 -0.02 0.05 0.01 -0.01 -0.05 0.00 -0.01 0.00 0.00 0.00 0.01 -0.02 0.05 -0.00 -0.00 -0.00 -0.34 0.60 0.23 -0.02 -0.07 -0.10 -0.03 -0.00 0.11 0.03 -0.03 0.01 0.06 -0.06 -0.01 0.17 -0.50 -0.02 -0.05 -0.10 -0.01 -0.07 0.05 -0.02 0.04 -0.01 0.02 -0.06 0.11 0.05 -0.01 0.02 -0.05 -0.10 0.04 -0.11 0.17 0.05 -0.12 -0.02 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.02 0.00 -0.01 -0.03 -0.00 -0.01 0.00 0.00 -0.00 0.02 -0.01 0.06 0.02 -0.07 -0.03 -0.01 0.02 0.03 -0.01 -0.01 -0.01 -0.05 0.03 -0.09 -0.00 0.06 0.02 0.01 -0.00 -0.00 0.16 -0.01 0.04 -0.09 -0.02 0.05 -0.14 -0.02 0.03 0.14 -0.00 0.03 -0.02 -0.00 0.00 -0.02 0.05 -0.15 0.03 0.01 0.02 -0.15 0.38 0.06 -0.03 -0.12 -0.15 -0.04 -0.06 -0.05 0.07 -0.02 -0.02 -0.11 0.11 0.03 0.09 -0.26 -0.01 -0.03 -0.07 -0.01 -0.04 -0.04 -0.03 -0.02 -0.04 0.03 -0.04 0.01 0.05 0.05 -0.06 0.15 0.25 -0.10 0.29 -0.45 -0.15 0.32 0.06 0.01 0.03 -0.03 -0.01 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.04 -0.13 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.06 -0.08 -0.07 -0.04 -0.03 -0.04 -0.02 -0.05 -0.05 0.00 0.00 -0.01 -0.02 0.02 0.01 0.01 -0.02 -0.00 0.04 -0.07 -0.00 0.09 0.52 0.16 0.40 0.39 -0.07 -0.00 0.54 -0.19 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.03 0.17 -0.08 -0.02 -0.06 -0.05 -0.00 0.05 -0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.12 -0.05 -0.05 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.08 -0.03 -0.15 -0.00 -0.00 0.01 0.05 0.01 0.04 -0.01 -0.01 0.02 0.00 0.03 0.03 0.01 0.01 0.05 -0.17 0.41 -0.26 0.53 0.15 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.02 0.00 -0.02 0.00 -0.02 -0.02 0.01 -0.02 -0.00 0.00 -0.01 0.29 0.03 -0.05 -0.13 -0.04 -0.20 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.07 -0.02 -0.05 0.05 0.01 0.02 0.02 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -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 0.02 0.01 0.05 -0.00 0.00 -0.00 -0.05 -0.01 -0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.02 0.00 0.49 0.38 -0.37 0.37 0.33 0.43 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.09 -0.00 0.02 0.05 0.02 0.11 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.05 -0.03 0.01 0.02 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.09 -0.00 -0.01 0.02 0.07 -0.05 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.34 0.11 -0.43 0.49 0.14 0.25 -0.31 -0.06 -0.15 0.16 0.15 0.04 -0.27 0.03 0.29 -0.05 0.01 -0.03 -0.05 0.01 -0.02 -0.04 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -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 -0.03 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.15 0.03 -0.05 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.05 -0.05 0.11 -0.11 0.03 -0.09 -0.12 0.04 -0.12 -0.07 -0.03 0.08 0.00 0.00 -0.00 0.13 -0.01 0.03 0.00 0.00 0.00 0.00 0.01 -0.01 0.02 0.00 -0.00 0.01 0.02 -0.01 0.01 0.02 -0.02 0.00 0.03 0.03 0.06 0.03 -0.08 0.09 0.03 0.05 -0.09 -0.02 -0.04 0.05 0.04 0.02 -0.08 0.01 0.09 0.50 -0.08 0.28 0.48 -0.06 0.24 0.42 0.08 -0.13 -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 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.02 0.00 -0.00 -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 0.01 -0.05 -0.00 0.09 0.01 0.01 0.02 0.07 -0.05 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.14 -0.05 0.15 -0.15 0.03 -0.09 0.12 -0.42 -0.05 0.18 0.05 0.63 -0.29 0.40 0.18 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 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 -0.06 0.01 0.01 -0.04 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.04 0.00 -0.00 0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.22 -0.02 -0.28 0.32 0.02 0.17 0.54 -0.13 0.21 -0.18 -0.22 0.26 0.28 0.14 -0.36 0.01 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.06 -0.04 0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 0.01 0.03 0.65 -0.08 -0.14 0.18 0.56 -0.40 0.01 0.00 -0.01 0.02 -0.01 0.00 -0.03 -0.01 0.05 -0.07 -0.01 -0.03 0.01 0.09 0.02 -0.02 -0.00 -0.10 0.06 -0.05 -0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.14 -0.01 0.03 -0.10 -0.02 -0.09 -0.19 -0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.31 0.04 0.01 -0.00 0.00 -0.00 0.22 0.04 0.17 0.00 -0.01 0.00 0.04 -0.00 -0.01 0.02 0.05 -0.01 0.05 0.06 -0.06 0.20 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 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.51 -0.11 -0.28 -0.29 -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.04 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 -0.01 0.03 0.13 -0.34 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.16 -0.08 0.19 0.05 -0.08 0.21 -0.02 0.07 -0.20 0.21 0.11 -0.26 0.00 0.00 0.00 -0.07 -0.15 0.39 0.00 0.00 0.00 0.01 0.02 -0.02 -0.03 -0.01 -0.01 -0.01 -0.04 -0.00 0.02 -0.02 -0.00 -0.03 0.04 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.36 -0.01 -0.02 0.20 0.05 -0.09 -0.46 -0.04 0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.22 0.00 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.26 0.03 -0.03 0.35 -0.03 0.14 -0.28 0.03 -0.13 -0.30 -0.03 0.02 0.00 0.00 0.00 0.15 -0.02 0.07 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.02 0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.37 0.10 -0.31 0.30 -0.07 0.23 0.24 0.11 -0.25 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.04 -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 0.02 0.01 0.01 -0.00 0.03 -0.02 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 0.01 0.05 0.02 0.01 -0.05 -0.22 -0.09 0.55 0.33 -0.29 -0.07 -0.47 -0.11 -0.45 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.02 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.13 -0.03 -0.10 -0.00 0.02 -0.01 0.06 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.58 0.13 0.54 0.20 0.07 -0.50 0.02 0.01 -0.05 -0.10 0.09 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.06 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.23 -0.05 -0.17 -0.04 0.30 -0.20 0.80 -0.35 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.04 -0.05 -0.02 0.12 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.01 0.03 0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.47 -0.11 -0.37 0.01 -0.11 0.08 -0.20 0.09 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.21 0.05 0.18 -0.23 -0.08 0.53 0.10 0.04 -0.24 0.05 -0.04 -0.00 -0.18 -0.04 -0.16 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.01 -0.04 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.04 0.01 -0.00 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 0.52 0.12 0.41 -0.01 0.07 -0.05 0.16 -0.07 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.20 0.04 0.18 -0.12 -0.03 0.27 0.17 0.07 -0.40 -0.04 0.04 0.02 -0.28 -0.06 -0.26 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.06 -0.02 0.00 -0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.18 0.04 0.14 -0.01 0.11 -0.08 -0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.31 0.07 0.27 -0.20 -0.07 0.44 -0.20 -0.08 0.46 0.02 -0.02 -0.02 0.36 0.09 0.33 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.08 0.04 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.01 0.03 0.00 -0.05 0.03 0.04 -0.02 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.05 0.01 0.05 0.04 0.01 -0.09 0.11 0.06 -0.30 0.64 -0.59 -0.13 0.20 0.06 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 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.04 0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.18 -0.28 -0.57 -0.24 -0.40 0.59 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 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 0.04 -0.07 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.01 -0.04 -0.07 0.73 -0.53 -0.35 0.14 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.01 -0.03 0.02 0.01 -0.05 0.04 0.02 -0.10 0.04 -0.03 -0.01 -0.03 -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.10 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.21 0.33 0.64 -0.21 -0.36 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 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 -0.02 -0.01 0.03 -0.00 -0.00 0.00 -0.03 0.02 -0.06 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.27 0.17 -0.39 0.01 0.01 -0.01 0.39 -0.25 0.72 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.03 0.04 0.02 -0.06 -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 -0.25 -0.15 0.35 -0.44 -0.27 0.65 0.13 -0.08 0.24 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.05 -0.03 -0.02 0.04 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.39 -0.24 0.56 0.29 0.18 -0.42 0.19 -0.12 0.35 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.07 -0.00 0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.01 -0.12 0.78 0.01 -0.61 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.08 -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 -0.01 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 -0.33 0.09 0.93 0.10 0.00 -0.08 17 17 8 8 7 7 7 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 1 298.150 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 17 17 8 8 7 7 7 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 34.96885 34.96885 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 327.05413 0.99998 0.00653 -2.5E-4 -0.00652 0.99949 0.03119 4.5E-4 -0.03119 0.99951 asymmetric 1 0.02104 0.00761 0.00692 0.43835 0.15857 0.14415 731235.1 41.54 47.79 65.48 81.59 103.41 139.68 155.88 181.58 215.30 240.46 250.50 284.34 308.98 335.32 371.37 406.35 424.91 465.96 532.68 554.81 580.43 603.50 645.12 671.13 728.32 743.50 828.79 923.19 972.91 979.68 996.77 1039.97 1073.56 1085.44 1149.39 1160.57 1167.90 1214.98 1237.28 1237.62 1268.18 1276.03 1291.08 1383.41 1398.84 1406.02 1409.00 1421.29 1467.52 1484.00 1493.92 1524.54 1550.45 1551.32 1612.89 1614.14 1664.05 1666.29 1680.84 1703.19 1736.51 1763.78 1777.96 1800.10 1841.40 1856.47 1877.38 1879.91 1907.85 1938.04 1956.65 1978.13 1995.82 2004.03 2020.96 2026.26 2045.15 2090.80 2120.33 2148.68 2153.36 2163.72 2168.79 2198.31 2214.23 2288.65 2334.69 4347.34 4362.94 4378.89 4400.46 4416.50 4444.11 4452.45 4456.20 4477.93 4540.35 4602.96 4623.67 4625.83 4669.90 4692.31 0.278513 0.297397 0.298341 0.229336 -1777.638147 -1777.619263 -1777.618319 -1777.687324 186.619 71.138 145.233 0.000 0.000 0.000 0.889 2.981 43.250 0.889 2.981 34.727 184.842 65.176 67.256 1 0.593 1.984 5.905 2 0.594 1.983 5.628 3 0.595 1.979 5.004 4 0.596 1.975 4.569 5 0.598 1.967 4.101 6 0.603 1.951 3.512 7 0.606 1.943 3.298 8 0.611 1.927 3.003 9 0.618 1.903 2.677 10 0.624 1.883 2.468 11 0.627 1.874 2.391 12 0.637 1.843 2.155 13 0.645 1.819 2.003 14 0.654 1.790 1.855 15 0.667 1.749 1.674 16 0.681 1.706 1.519 17 0.690 1.682 1.443 18 0.708 1.628 1.291 19 0.742 1.533 1.079 20 0.754 1.501 1.017 21 0.769 1.463 0.950 22 0.782 1.428 0.894 23 0.807 1.364 0.801 24 0.824 1.324 0.748 25 0.861 1.236 0.643 26 0.872 1.213 0.618 27 0.932 1.083 0.493 0.416712e+23 22.619837 52.084098 0.206733e+08 7.315410 16.844354 0.100000e+01 0.000000 0.000000 0.232479e+09 8.366383 19.264310 0.867048e+07 6.938043 15.975435 0 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1777.9166593 4.486E-9 1.464E-5 0.2785128 0.2973965 -1777.6192628 -1777.6183186 -1777.6873236 5.6609734,-10.4724335,4.8114601,-4.5086744,-3.8971432,-1.3171954 C01 [X(C14H15Cl2N3O2)] -0.4329973 0.9635032 0.4494995 -0.0629654 -0.0366038 -0.1354293 -0.0560659 -0.172407 -0.166958 -0.1363554 -0.1902384 -0.6534805 -0.3337949 -0.4029238 -0.0582586 -0.4290119 -0.6786948 -0.08743 -0.0436467 -0.0632627 -0.0897074 -1.2917603 0.0934974 0.1277788 0.0902387 -0.6281601 0.0220261 0.1141839 -0.0602578 -0.4661803 -1.0004816 -0.1622801 0.2188157 -0.186981 -0.5770507 0.1099864 0.2029768 0.0769765 -0.5520692 -0.298964 -0.29603 -0.0254812 -0.2910567 -0.6383032 -0.076426 0.0432019 -0.029158 -0.0592293 -0.2980822 -0.014876 -0.1308269 0.0747801 -0.0624249 -0.0081769 -0.224504 -0.2910253 -0.3547846 -0.4034218 -0.1909868 -0.0545981 -0.148265 -0.7415123 -0.0054372 -0.0304036 0.1546141 -0.4015749 1.1773719 0.10522 -0.1790431 0.1546954 0.9645102 -0.0793032 -0.0789582 -0.0675182 0.5719389 0.7635291 -0.1383572 -0.0622808 -0.1713108 0.3510151 0.0716057 -0.3216299 0.0941917 0.275582 0.6841058 0.1572425 -0.1847023 0.1099332 0.3076256 0.0262829 0.0303268 0.0252007 0.1973112 0.1468444 0.2032981 0.0353959 0.1892159 0.4766833 0.027912 0.0189483 0.0657351 0.1226364 -0.12371 0.0595173 -0.0067943 -0.0696218 -0.2006465 -0.0571222 0.0055037 -0.0396232 -0.2864633 0.0689954 -0.0002664 -0.012281 0.0676879 -0.0264421 -0.0471826 0.0421189 0.0021227 0.0644112 0.0575754 0.0171014 0.0483112 0.0574578 0.0547923 -0.0093038 0.0335529 -0.0117328 0.1025472 0.0903647 0.1535725 0.2260982 0.1513697 0.2027329 0.2997958 0.0909535 0.1786259 0.9355475 -0.0626951 0.0526321 0.0159875 0.0435273 -0.0034736 0.0240882 0.0721548 0.0946217 0.0257963 -0.1960727 -0.1618363 -0.1172774 -0.1721348 -0.3121333 -0.1836095 -0.1003084 -0.1615212 -0.2086839 -0.1790001 -0.1256185 0.0379017 -0.1195046 -0.2894663 0.0572803 0.0361038 0.0353676 -0.0032543 0.3091186 0.4411371 0.1312591 0.2459743 0.510501 0.0861421 0.1005973 0.1958809 0.1319588 0.4172435 0.6408845 0.0728541 0.6601888 0.966389 0.0971969 0.0897702 0.1133748 0.1609898 0.1274107 -0.0180409 0.1386563 0.0544866 0.2128744 -0.1649686 0.1582475 -0.2172322 0.3571898 -0.0963537 -0.0553759 -0.0351619 -0.0479182 0.0006017 -0.039995 -0.066417 -0.032501 0.0118999 -0.0007594 -0.0078194 0.0651588 0.0181782 0.0491598 -0.0803884 0.1144041 -0.0342931 -0.0501281 -0.0361011 -0.0422889 -0.0074544 -0.0666158 -0.1311423 0.0227465 -0.0478057 -0.0142767 0.044653 0.0073331 -0.054839 -0.0224168 0.0256102 0.0283979 -0.0067944 -0.0662582 -0.0098421 0.0402551 0.0380563 -0.0671342 0.0053827 -0.0184125 0.0425632 -0.0084051 0.0641649 0.0033503 -0.0178431 -0.0706995 -0.0438202 -0.0520995 -0.0376507 0.0078106 -0.0190739 -0.0797876 -0.0590817 -0.0004035 0.0369406 0.0099639 0.03375 0.0209511 -0.0150462 0.0535406 0.0288328 0.0794616 -0.0756804 0.0329322 0.0105455 -0.0222055 -0.0290643 0.0172597 0.1058897 0.030645 0.083099 -0.0974564 0.0053939 0.041199 0.0226735 0.0955558 -0.1263426 -0.0467261 0.0331404 -0.0294386 0.0645978 -0.0774944 -0.0366041 -0.0383795 -0.0926916 0.0332636 -0.0527486 -0.0997539 -0.0540427 -0.019529 0.1350584 0.0019609 0.0185498 0.007069 0.0989001 0.0194822 0.0282831 0.0301773 0.0261249 0.1123486 -0.0320306 0.0095856 -0.0372737 0.079896 0.0244513 0.0128982 0.0272219 0.0448379 0.1052738 -0.0431556 -0.0285275 -0.0456429 0.073128 -0.0353892 -0.0325481 -0.0376497 0.0055824 0.1104828 -0.0116041 -0.0200047 -0.019625 0.0920396 0.0661845 -0.0098393 0.0780572 0.0901436 0.105977 -0.0452805 -0.0149363 -0.0280726 0.0331014 0.0608275 -0.0127926 0.0646164 0.0624643 196.7349991|50.9890527|243.5711037|5.0953006|6.2502368|194.4537339 0.000000039 0.000002001 -0.000004353 0.000007162 0.000010687 0.000002311 0.000004681 0.000024747 0.000004412 0.000005980 -0.000001492 -0.000011935 -0.000030739 -0.000000293 -0.000018565 -0.000038807 -0.000023607 -0.000045536 0.000030715 0.000025044 0.000038586 0.000026078 0.000010026 0.000003195 0.000007054 -0.000002404 0.000016874 -0.000012983 -0.000010968 -0.000014079 -0.000004402 0.000004176 -0.000002466 -0.000028158 -0.000029665 -0.000008914 -0.000006806 -0.000008470 -0.000003731 0.000005289 -0.000000676 -0.000002208 0.000004212 0.000004373 0.000036169 0.000003693 0.000012070 -0.000002874 0.000005361 0.000013193 -0.000030629 0.000012133 0.000019355 -0.000008052 0.000030171 -0.000020963 0.000038138 -0.000027554 -0.000044484 0.000015685 0.000009232 0.000012917 -0.000014237 -0.000003540 -0.000004561 0.000002181 -0.000001639 0.000006782 -0.000002025 -0.000000383 0.000010780 0.000004962 -0.000003476 0.000000211 -0.000001279 0.000001281 -0.000003683 0.000001499 -0.000002209 -0.000000553 -0.000001152 0.000000156 0.000000718 0.000004151 -0.000002381 0.000002082 -0.000002692 0.000001786 -0.000006035 0.000000164 0.000004383 0.000002073 0.000004108 0.000002933 -0.000002352 -0.000001432 0.000000286 -0.000001422 0.000009124 -0.000002167 0.000000321 -0.000004149 0.000003516 0.000003794 -0.000003586 -0.000000897 -0.000003723 0.000002336 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 102 C1[X(C14H15Cl2N3O2)] 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/etaconazole_RR/gas/CONF20/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction etaconazole_RR CONF20 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 589 A 568 A 568 910 589 85 85 2014.6573224852 36 36 36 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 -0.0448729301 0.000000 5.379836 0.000000 3.035676 6.778247 0.000000 4.582184 6.656645 2.278333 0.000000 4.487246 8.220977 2.833150 2.881122 0.000000 5.771617 8.997460 3.893246 3.207930 1.359806 0.000000 6.043085 10.282151 4.065236 4.451091 2.194440 2.265650 0.000000 3.200520 6.090935 1.419907 1.417507 2.475500 3.351199 4.307207 0.000000 4.341747 7.465742 1.441167 2.313503 3.599894 4.321378 4.365631 2.326441 0.000000 5.202607 7.748318 2.297192 1.432960 3.217997 3.478661 4.083668 2.313043 1.528300 0.000000 3.439895 6.797472 2.409547 2.423998 1.448854 2.451884 3.602543 1.546435 3.501552 3.289286 0.000000 2.777750 4.559003 2.451119 2.404814 3.817187 4.674147 5.781420 1.532777 3.329294 3.497495 2.528528 0.000000 4.634569 6.921612 2.449778 3.129216 5.003941 5.733177 5.890543 3.178538 1.528276 2.576341 4.617328 3.555335 0.000000 6.128586 8.103417 3.809930 4.168524 6.104590 6.642655 6.629427 4.545227 2.548403 3.253504 5.936274 5.006412 1.531214 0.000000 1.761831 4.012185 3.029675 3.727762 4.573279 5.633569 6.471258 2.586140 4.122273 4.659049 3.242056 1.401313 4.179030 5.686667 0.000000 4.047148 4.013550 3.593681 2.697581 4.731721 5.296371 6.731433 2.528661 4.099404 3.920363 3.495795 1.398888 4.061104 5.312479 2.391313 0.000000 2.682031 2.716986 4.359775 4.829734 5.895731 6.889193 7.849122 3.866245 5.316812 5.828037 4.507752 2.440072 5.085990 6.509463 1.393512 2.774342 0.000000 4.542046 2.727606 4.774219 4.078392 6.018309 6.610038 8.064784 3.827692 5.300412 5.249930 4.693556 2.441179 4.992112 6.185257 2.782536 1.389846 2.418332 0.000000 4.726251 9.095842 2.996283 3.747551 1.352962 2.215128 1.320538 3.259325 3.643128 3.620638 2.525041 4.654932 5.123422 6.101849 5.217977 5.732673 6.596896 7.013409 0.000000 3.986395 1.754808 5.067138 4.954245 6.499644 7.297139 8.542371 4.336180 5.801274 6.059138 5.093999 2.804237 5.426799 6.720153 2.398710 2.392380 1.388842 1.389825 7.369885 0.000000 6.511994 10.163540 4.440926 4.111916 2.091469 1.322202 1.363980 4.273728 4.674308 3.946675 3.484560 5.718855 6.175162 6.901463 6.612468 6.438881 7.934353 7.785574 2.096823 8.436725 0.000000 4.830694 8.441397 2.039169 3.228069 3.839051 4.551538 4.040979 3.178484 1.093000 2.185141 4.069510 4.295704 2.169326 2.748213 4.945714 5.166597 6.182090 6.363224 3.491015 6.785963 4.597439 0.000000 6.066795 8.000167 3.242132 2.047870 4.227445 4.285988 4.976496 3.189679 2.208910 1.089974 4.261705 4.113358 2.714096 2.949844 5.333883 4.218638 6.363787 5.453110 4.656333 6.399339 4.717519 2.814983 0.000000 5.692426 8.647662 2.772430 2.082023 2.783679 2.796698 3.198472 2.836783 2.188316 1.093798 3.331221 4.237407 3.489931 4.024317 5.361833 4.757890 6.615752 6.130207 3.028542 6.926820 3.004189 2.398947 1.785930 0.000000 4.110951 6.638558 3.342374 2.662673 2.061305 2.534824 4.229443 2.161998 4.299706 3.793458 1.088515 2.761620 5.314854 6.601998 3.583735 3.354157 4.651409 4.472096 3.346381 5.009056 3.782276 4.971001 4.619939 3.842474 0.000000 2.726754 6.663583 2.695881 3.359316 2.079003 3.259162 3.994662 2.171149 4.028084 4.153812 1.088904 2.754959 5.046742 6.457200 2.967201 3.917770 4.205313 4.927847 2.770423 5.031133 4.136009 4.501633 5.162961 4.226820 1.779332 0.000000 4.593186 6.043172 2.747507 2.834374 5.161424 5.828773 6.377617 2.992195 2.148709 2.727160 4.532713 2.994517 1.094941 2.173452 3.733649 3.192402 4.471517 4.030145 5.546978 4.584531 6.474675 3.061531 2.728469 3.789058 5.046749 5.013339 0.000000 4.135464 6.745838 2.584718 3.872429 5.377039 6.295888 6.259220 3.535506 2.128955 3.467001 4.896129 3.707083 1.093760 2.166981 3.953289 4.406689 4.790201 5.178947 5.367288 5.330479 6.719157 2.530150 3.767418 4.295356 5.688113 5.096168 1.756433 0.000000 6.771759 8.470456 4.205872 4.001075 6.120513 6.438247 6.602246 4.705954 2.839611 2.999752 6.050263 5.272193 2.188735 1.093987 6.166012 5.391738 7.006663 6.331256 6.225499 7.066586 6.688918 3.104820 2.365407 3.713490 6.597129 6.726784 2.542239 3.087548 0.000000 6.566392 7.986898 4.610809 4.963206 7.061730 7.637737 7.691220 5.288563 3.494865 4.219472 6.754530 5.483673 2.174483 1.092351 6.037219 5.653165 6.661564 6.316424 7.103208 6.778130 7.960206 3.757261 3.834861 5.063944 7.381868 7.219061 2.517356 2.505720 1.761854 0.000000 6.451046 8.980191 4.081643 4.781133 6.283017 6.846030 6.466285 5.052580 2.807366 3.673512 6.308150 5.694219 2.180033 1.094550 6.287113 6.180713 7.202889 7.112299 6.043098 7.564388 6.906916 2.560655 3.509079 4.214810 7.082832 6.768092 3.086796 2.528234 1.766914 1.765728 0.000000 4.908624 4.869770 3.827713 2.271104 4.657966 4.961975 6.561822 2.682621 4.053986 3.497520 3.634358 2.133582 4.115199 5.175424 3.368093 1.081382 3.855696 2.142518 5.728601 3.374542 6.098888 5.126541 3.613833 4.302055 3.371298 4.310847 3.238056 4.704802 5.034862 5.585267 6.076902 0.000000 2.784755 2.859502 5.051013 5.807303 6.611051 7.690957 8.489019 4.735311 6.071523 6.733917 5.254920 3.415669 5.801347 7.212339 2.150825 3.855372 1.081039 3.399184 7.196099 2.151777 8.685808 6.842935 7.313034 7.491815 5.461604 4.767761 5.287803 5.334192 7.812066 7.304197 7.831472 4.936715 0.000000 5.623699 2.871778 5.681751 4.678778 6.808448 7.247408 8.845260 4.683610 6.051095 5.834455 5.539729 3.420212 5.659559 6.691749 3.864510 2.154966 3.397835 1.081978 7.868624 2.150205 8.448124 7.136710 5.868899 6.724186 5.192081 5.871898 4.619878 5.948356 6.716340 6.742577 7.688207 2.480235 4.292304 0.000000 4.135062 8.931349 2.778377 4.162934 2.136094 3.239515 2.150275 3.390799 3.583991 3.995691 2.847639 4.636342 4.944661 5.985775 4.940787 5.870027 6.311495 7.069010 1.078063 7.241818 3.155068 3.320328 5.058288 3.602766 3.832196 2.750519 5.466138 4.971187 6.295314 6.928234 5.846230 6.038138 6.785297 8.006167 0.000000 7.582466 11.054862 5.424922 4.861623 3.131996 2.100415 2.154632 5.218793 5.498442 4.614498 4.472061 6.650897 6.970418 7.547764 7.615950 7.251891 8.916208 8.600460 3.137913 9.340017 1.079263 5.380101 5.220159 3.598040 4.629632 5.166604 7.264322 7.593793 7.214166 8.617307 7.528596 6.798208 9.700236 9.185033 4.167938 0.000000 C14H15Cl2N3O2 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4383470 0.1585693 0.1441492 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= 568 RedAO= T EigKep= 2.66D-06 NBF= 568 NBsUse= 565 1.00D-06 EigRej= 7.72D-07 NBFU= 565 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= 581 581 581 581 581 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 1 1 -1777.91665930621 -1777.91665931 1 1.772268767080e+03 -8.214135180147e+03 2.649337304206e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839545914 LenY= 1839198404 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. PT623.500S Tue Jul 13 08:43:44 2021 GINC-AMBITE PAULAPLA 13-Jul-2021 0 Wavefunction etaconazole_RR CONF20 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1777.9166593 RMSD=6.591e-09 Dipole=-0.4329967,0.963504,0.4494996 Quadrupole=5.6609718,-10.4724302,4.8114584,-4.5086655,-3.8971391,-1.3171882 PG=C01 [X(C14H15Cl2N3O2)] 0 0.7098792196 0.8426938445 -2.4944260784 0 3.1571260954 4.4379787836 0.6722043125 0 -1.287232202 -0.5064610993 -0.6487133453 0 -0.6530873867 -0.9583571416 1.4924204106 0 -0.0635101064 -3.0495394062 -0.3997262279 0 -0.0316196291 -3.9751281045 0.5959354271 0 -1.5577437576 -4.5493743887 -0.9770734644 0 -0.1582666588 -0.6497602938 0.2004269728 0 -2.4746640428 -0.4367491424 0.164987055 0 -2.0509438196 -1.254559809 1.3845556531 0 0.7038710059 -1.8231534452 -0.3204662274 0 0.6758055058 0.6340338126 0.2752661657 0 -2.8542472145 1.0133041282 0.4631282268 0 -4.2331135981 1.1436366858 1.1160886988 0 1.0978892309 1.3505666735 -0.8526091456 0 1.0633656239 1.1223872732 1.5275422068 0 1.8541715984 2.5153437434 -0.7376886451 0 1.8220007934 2.2783257629 1.6687857617 0 -0.9852741686 -3.4104612297 -1.3220020594 0 2.2072333005 2.9697214255 0.526340337 0 -0.9392154113 -4.8515303651 0.2004514566 0 -3.2661495988 -0.9326062033 -0.4027500985 0 -2.528903822 -0.9449960077 2.3139468475 0 -2.1999655151 -2.3273827561 1.2321188299 0 1.5291933234 -1.9907433489 0.36918631 0 1.0956496431 -1.581585997 -1.3073135607 0 -2.0825094296 1.4575591087 1.1002729445 0 -2.8327268226 1.5587985738 -0.4846498292 0 -4.2772855703 0.6311815443 2.0816173459 0 -4.4825673862 2.1925417708 1.2915899909 0 -5.0141771968 0.7183087751 0.4780636402 0 0.746779061 0.5785014164 2.4069442526 0 2.1590384789 3.0553278586 -1.6231929545 0 2.1070002383 2.6383604362 2.6484935337 0 -1.1980219887 -2.8136035374 -2.1941944855 0 -1.1564647647 -5.7400712669 0.7732571521 Gaussian 16 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 102 C1[X(C14H15Cl2N3O2)] 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/etaconazole_RR/gas/CONF20/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum etaconazole_RR CONF20 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 589 A 568 A 568 910 589 85 85 2014.6573224852 36 36 36 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 -0.0448729301 0.000000 5.379836 0.000000 3.035676 6.778247 0.000000 4.582184 6.656645 2.278333 0.000000 4.487246 8.220977 2.833150 2.881122 0.000000 5.771617 8.997460 3.893246 3.207930 1.359806 0.000000 6.043085 10.282151 4.065236 4.451091 2.194440 2.265650 0.000000 3.200520 6.090935 1.419907 1.417507 2.475500 3.351199 4.307207 0.000000 4.341747 7.465742 1.441167 2.313503 3.599894 4.321378 4.365631 2.326441 0.000000 5.202607 7.748318 2.297192 1.432960 3.217997 3.478661 4.083668 2.313043 1.528300 0.000000 3.439895 6.797472 2.409547 2.423998 1.448854 2.451884 3.602543 1.546435 3.501552 3.289286 0.000000 2.777750 4.559003 2.451119 2.404814 3.817187 4.674147 5.781420 1.532777 3.329294 3.497495 2.528528 0.000000 4.634569 6.921612 2.449778 3.129216 5.003941 5.733177 5.890543 3.178538 1.528276 2.576341 4.617328 3.555335 0.000000 6.128586 8.103417 3.809930 4.168524 6.104590 6.642655 6.629427 4.545227 2.548403 3.253504 5.936274 5.006412 1.531214 0.000000 1.761831 4.012185 3.029675 3.727762 4.573279 5.633569 6.471258 2.586140 4.122273 4.659049 3.242056 1.401313 4.179030 5.686667 0.000000 4.047148 4.013550 3.593681 2.697581 4.731721 5.296371 6.731433 2.528661 4.099404 3.920363 3.495795 1.398888 4.061104 5.312479 2.391313 0.000000 2.682031 2.716986 4.359775 4.829734 5.895731 6.889193 7.849122 3.866245 5.316812 5.828037 4.507752 2.440072 5.085990 6.509463 1.393512 2.774342 0.000000 4.542046 2.727606 4.774219 4.078392 6.018309 6.610038 8.064784 3.827692 5.300412 5.249930 4.693556 2.441179 4.992112 6.185257 2.782536 1.389846 2.418332 0.000000 4.726251 9.095842 2.996283 3.747551 1.352962 2.215128 1.320538 3.259325 3.643128 3.620638 2.525041 4.654932 5.123422 6.101849 5.217977 5.732673 6.596896 7.013409 0.000000 3.986395 1.754808 5.067138 4.954245 6.499644 7.297139 8.542371 4.336180 5.801274 6.059138 5.093999 2.804237 5.426799 6.720153 2.398710 2.392380 1.388842 1.389825 7.369885 0.000000 6.511994 10.163540 4.440926 4.111916 2.091469 1.322202 1.363980 4.273728 4.674308 3.946675 3.484560 5.718855 6.175162 6.901463 6.612468 6.438881 7.934353 7.785574 2.096823 8.436725 0.000000 4.830694 8.441397 2.039169 3.228069 3.839051 4.551538 4.040979 3.178484 1.093000 2.185141 4.069510 4.295704 2.169326 2.748213 4.945714 5.166597 6.182090 6.363224 3.491015 6.785963 4.597439 0.000000 6.066795 8.000167 3.242132 2.047870 4.227445 4.285988 4.976496 3.189679 2.208910 1.089974 4.261705 4.113358 2.714096 2.949844 5.333883 4.218638 6.363787 5.453110 4.656333 6.399339 4.717519 2.814983 0.000000 5.692426 8.647662 2.772430 2.082023 2.783679 2.796698 3.198472 2.836783 2.188316 1.093798 3.331221 4.237407 3.489931 4.024317 5.361833 4.757890 6.615752 6.130207 3.028542 6.926820 3.004189 2.398947 1.785930 0.000000 4.110951 6.638558 3.342374 2.662673 2.061305 2.534824 4.229443 2.161998 4.299706 3.793458 1.088515 2.761620 5.314854 6.601998 3.583735 3.354157 4.651409 4.472096 3.346381 5.009056 3.782276 4.971001 4.619939 3.842474 0.000000 2.726754 6.663583 2.695881 3.359316 2.079003 3.259162 3.994662 2.171149 4.028084 4.153812 1.088904 2.754959 5.046742 6.457200 2.967201 3.917770 4.205313 4.927847 2.770423 5.031133 4.136009 4.501633 5.162961 4.226820 1.779332 0.000000 4.593186 6.043172 2.747507 2.834374 5.161424 5.828773 6.377617 2.992195 2.148709 2.727160 4.532713 2.994517 1.094941 2.173452 3.733649 3.192402 4.471517 4.030145 5.546978 4.584531 6.474675 3.061531 2.728469 3.789058 5.046749 5.013339 0.000000 4.135464 6.745838 2.584718 3.872429 5.377039 6.295888 6.259220 3.535506 2.128955 3.467001 4.896129 3.707083 1.093760 2.166981 3.953289 4.406689 4.790201 5.178947 5.367288 5.330479 6.719157 2.530150 3.767418 4.295356 5.688113 5.096168 1.756433 0.000000 6.771759 8.470456 4.205872 4.001075 6.120513 6.438247 6.602246 4.705954 2.839611 2.999752 6.050263 5.272193 2.188735 1.093987 6.166012 5.391738 7.006663 6.331256 6.225499 7.066586 6.688918 3.104820 2.365407 3.713490 6.597129 6.726784 2.542239 3.087548 0.000000 6.566392 7.986898 4.610809 4.963206 7.061730 7.637737 7.691220 5.288563 3.494865 4.219472 6.754530 5.483673 2.174483 1.092351 6.037219 5.653165 6.661564 6.316424 7.103208 6.778130 7.960206 3.757261 3.834861 5.063944 7.381868 7.219061 2.517356 2.505720 1.761854 0.000000 6.451046 8.980191 4.081643 4.781133 6.283017 6.846030 6.466285 5.052580 2.807366 3.673512 6.308150 5.694219 2.180033 1.094550 6.287113 6.180713 7.202889 7.112299 6.043098 7.564388 6.906916 2.560655 3.509079 4.214810 7.082832 6.768092 3.086796 2.528234 1.766914 1.765728 0.000000 4.908624 4.869770 3.827713 2.271104 4.657966 4.961975 6.561822 2.682621 4.053986 3.497520 3.634358 2.133582 4.115199 5.175424 3.368093 1.081382 3.855696 2.142518 5.728601 3.374542 6.098888 5.126541 3.613833 4.302055 3.371298 4.310847 3.238056 4.704802 5.034862 5.585267 6.076902 0.000000 2.784755 2.859502 5.051013 5.807303 6.611051 7.690957 8.489019 4.735311 6.071523 6.733917 5.254920 3.415669 5.801347 7.212339 2.150825 3.855372 1.081039 3.399184 7.196099 2.151777 8.685808 6.842935 7.313034 7.491815 5.461604 4.767761 5.287803 5.334192 7.812066 7.304197 7.831472 4.936715 0.000000 5.623699 2.871778 5.681751 4.678778 6.808448 7.247408 8.845260 4.683610 6.051095 5.834455 5.539729 3.420212 5.659559 6.691749 3.864510 2.154966 3.397835 1.081978 7.868624 2.150205 8.448124 7.136710 5.868899 6.724186 5.192081 5.871898 4.619878 5.948356 6.716340 6.742577 7.688207 2.480235 4.292304 0.000000 4.135062 8.931349 2.778377 4.162934 2.136094 3.239515 2.150275 3.390799 3.583991 3.995691 2.847639 4.636342 4.944661 5.985775 4.940787 5.870027 6.311495 7.069010 1.078063 7.241818 3.155068 3.320328 5.058288 3.602766 3.832196 2.750519 5.466138 4.971187 6.295314 6.928234 5.846230 6.038138 6.785297 8.006167 0.000000 7.582466 11.054862 5.424922 4.861623 3.131996 2.100415 2.154632 5.218793 5.498442 4.614498 4.472061 6.650897 6.970418 7.547764 7.615950 7.251891 8.916208 8.600460 3.137913 9.340017 1.079263 5.380101 5.220159 3.598040 4.629632 5.166604 7.264322 7.593793 7.214166 8.617307 7.528596 6.798208 9.700236 9.185033 4.167938 0.000000 C14H15Cl2N3O2 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4383470 0.1585693 0.1441492 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= 568 RedAO= T EigKep= 2.66D-06 NBF= 568 NBsUse= 565 1.00D-06 EigRej= 7.72D-07 NBFU= 565 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= 581 581 581 581 581 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 1 1 -1777.91665930621 -1777.91665931 1 1.772268767080e+03 -8.214135180147e+03 2.649337304206e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1839545914 LenY= 1839198404 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.9694 249.50 0.0041 0.000 82 86 -0.11533 83 86 0.39093 84 87 0.17878 85 86 -0.17548 85 87 0.50331 -1777.73403860 2 Singlet-A 5.3842 230.28 0.0836 0.000 81 86 -0.12769 82 86 -0.16539 83 87 -0.13824 84 86 -0.33878 85 86 0.53555 85 87 0.16402 3 Singlet-A 5.4919 225.76 0.0108 0.000 81 86 0.13942 81 87 -0.10153 82 86 0.18071 83 86 0.11429 83 87 -0.26672 84 86 0.36638 84 87 -0.36583 85 86 0.17840 85 87 0.19682 4 Singlet-A 5.5401 223.79 0.0569 0.000 81 86 0.12725 81 87 0.15242 82 86 0.16540 82 87 0.19577 83 86 0.19744 84 86 0.23089 84 87 0.44828 85 86 0.26704 85 87 -0.13167 5 Singlet-A 5.7095 217.15 0.0083 0.000 80 86 -0.10596 81 86 0.25008 82 86 0.42640 83 86 0.21972 83 87 0.17967 84 86 -0.36846 84 87 -0.12463 6 Singlet-A 5.7648 215.07 0.0074 0.000 81 87 0.27232 82 87 0.45468 83 86 -0.11808 83 87 0.30346 84 87 -0.21931 85 87 0.19552 7 Singlet-A 5.7992 213.80 0.0020 0.000 84 88 0.19409 85 88 0.61205 85 89 0.23832 8 Singlet-A 5.8978 210.22 0.0011 0.000 81 86 0.51126 81 88 -0.14137 81 89 0.19154 82 86 -0.30111 82 88 0.13538 82 89 -0.17606 9 Singlet-A 6.0544 204.79 0.0172 0.000 80 86 0.17350 81 87 0.57536 82 87 -0.32298 10 Singlet-A 6.0597 204.60 0.0091 0.000 80 86 0.63883 81 87 -0.14255 82 87 0.16649 83 86 0.13625 PT41584.700S Tue Jul 13 10:10:46 2021 GINC-AMBITE PAULAPLA 13-Jul-2021 0 Electronic spectrum etaconazole_RR CONF20 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1777.9166593 RMSD=6.686e-09 PG=C01 [X(C14H15Cl2N3O2)] 0 0.7098792196 0.8426938445 -2.4944260784 0 3.1571260954 4.4379787836 0.6722043125 0 -1.287232202 -0.5064610993 -0.6487133453 0 -0.6530873867 -0.9583571416 1.4924204106 0 -0.0635101064 -3.0495394062 -0.3997262279 0 -0.0316196291 -3.9751281045 0.5959354271 0 -1.5577437576 -4.5493743887 -0.9770734644 0 -0.1582666588 -0.6497602938 0.2004269728 0 -2.4746640428 -0.4367491424 0.164987055 0 -2.0509438196 -1.254559809 1.3845556531 0 0.7038710059 -1.8231534452 -0.3204662274 0 0.6758055058 0.6340338126 0.2752661657 0 -2.8542472145 1.0133041282 0.4631282268 0 -4.2331135981 1.1436366858 1.1160886988 0 1.0978892309 1.3505666735 -0.8526091456 0 1.0633656239 1.1223872732 1.5275422068 0 1.8541715984 2.5153437434 -0.7376886451 0 1.8220007934 2.2783257629 1.6687857617 0 -0.9852741686 -3.4104612297 -1.3220020594 0 2.2072333005 2.9697214255 0.526340337 0 -0.9392154113 -4.8515303651 0.2004514566 0 -3.2661495988 -0.9326062033 -0.4027500985 0 -2.528903822 -0.9449960077 2.3139468475 0 -2.1999655151 -2.3273827561 1.2321188299 0 1.5291933234 -1.9907433489 0.36918631 0 1.0956496431 -1.581585997 -1.3073135607 0 -2.0825094296 1.4575591087 1.1002729445 0 -2.8327268226 1.5587985738 -0.4846498292 0 -4.2772855703 0.6311815443 2.0816173459 0 -4.4825673862 2.1925417708 1.2915899909 0 -5.0141771968 0.7183087751 0.4780636402 0 0.746779061 0.5785014164 2.4069442526 0 2.1590384789 3.0553278586 -1.6231929545 0 2.1070002383 2.6383604362 2.6484935337 0 -1.1980219887 -2.8136035374 -2.1941944855 0 -1.1564647647 -5.7400712669 0.7732571521 Gaussian 16 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 102 C1[X(C14H15Cl2N3O2)] 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/etaconazole_RR/gas/CONF20/opt #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point etaconazole_RR CONF20 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 35 35 16 16 14 14 14 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 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 0 2 2 2 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 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1096 A 970 A 970 1417 1096 85 85 2014.6573224852 36 36 36 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 -0.0448729301 0.000000 5.379836 0.000000 3.035676 6.778247 0.000000 4.582184 6.656645 2.278333 0.000000 4.487246 8.220977 2.833150 2.881122 0.000000 5.771617 8.997460 3.893246 3.207930 1.359806 0.000000 6.043085 10.282151 4.065236 4.451091 2.194440 2.265650 0.000000 3.200520 6.090935 1.419907 1.417507 2.475500 3.351199 4.307207 0.000000 4.341747 7.465742 1.441167 2.313503 3.599894 4.321378 4.365631 2.326441 0.000000 5.202607 7.748318 2.297192 1.432960 3.217997 3.478661 4.083668 2.313043 1.528300 0.000000 3.439895 6.797472 2.409547 2.423998 1.448854 2.451884 3.602543 1.546435 3.501552 3.289286 0.000000 2.777750 4.559003 2.451119 2.404814 3.817187 4.674147 5.781420 1.532777 3.329294 3.497495 2.528528 0.000000 4.634569 6.921612 2.449778 3.129216 5.003941 5.733177 5.890543 3.178538 1.528276 2.576341 4.617328 3.555335 0.000000 6.128586 8.103417 3.809930 4.168524 6.104590 6.642655 6.629427 4.545227 2.548403 3.253504 5.936274 5.006412 1.531214 0.000000 1.761831 4.012185 3.029675 3.727762 4.573279 5.633569 6.471258 2.586140 4.122273 4.659049 3.242056 1.401313 4.179030 5.686667 0.000000 4.047148 4.013550 3.593681 2.697581 4.731721 5.296371 6.731433 2.528661 4.099404 3.920363 3.495795 1.398888 4.061104 5.312479 2.391313 0.000000 2.682031 2.716986 4.359775 4.829734 5.895731 6.889193 7.849122 3.866245 5.316812 5.828037 4.507752 2.440072 5.085990 6.509463 1.393512 2.774342 0.000000 4.542046 2.727606 4.774219 4.078392 6.018309 6.610038 8.064784 3.827692 5.300412 5.249930 4.693556 2.441179 4.992112 6.185257 2.782536 1.389846 2.418332 0.000000 4.726251 9.095842 2.996283 3.747551 1.352962 2.215128 1.320538 3.259325 3.643128 3.620638 2.525041 4.654932 5.123422 6.101849 5.217977 5.732673 6.596896 7.013409 0.000000 3.986395 1.754808 5.067138 4.954245 6.499644 7.297139 8.542371 4.336180 5.801274 6.059138 5.093999 2.804237 5.426799 6.720153 2.398710 2.392380 1.388842 1.389825 7.369885 0.000000 6.511994 10.163540 4.440926 4.111916 2.091469 1.322202 1.363980 4.273728 4.674308 3.946675 3.484560 5.718855 6.175162 6.901463 6.612468 6.438881 7.934353 7.785574 2.096823 8.436725 0.000000 4.830694 8.441397 2.039169 3.228069 3.839051 4.551538 4.040979 3.178484 1.093000 2.185141 4.069510 4.295704 2.169326 2.748213 4.945714 5.166597 6.182090 6.363224 3.491015 6.785963 4.597439 0.000000 6.066795 8.000167 3.242132 2.047870 4.227445 4.285988 4.976496 3.189679 2.208910 1.089974 4.261705 4.113358 2.714096 2.949844 5.333883 4.218638 6.363787 5.453110 4.656333 6.399339 4.717519 2.814983 0.000000 5.692426 8.647662 2.772430 2.082023 2.783679 2.796698 3.198472 2.836783 2.188316 1.093798 3.331221 4.237407 3.489931 4.024317 5.361833 4.757890 6.615752 6.130207 3.028542 6.926820 3.004189 2.398947 1.785930 0.000000 4.110951 6.638558 3.342374 2.662673 2.061305 2.534824 4.229443 2.161998 4.299706 3.793458 1.088515 2.761620 5.314854 6.601998 3.583735 3.354157 4.651409 4.472096 3.346381 5.009056 3.782276 4.971001 4.619939 3.842474 0.000000 2.726754 6.663583 2.695881 3.359316 2.079003 3.259162 3.994662 2.171149 4.028084 4.153812 1.088904 2.754959 5.046742 6.457200 2.967201 3.917770 4.205313 4.927847 2.770423 5.031133 4.136009 4.501633 5.162961 4.226820 1.779332 0.000000 4.593186 6.043172 2.747507 2.834374 5.161424 5.828773 6.377617 2.992195 2.148709 2.727160 4.532713 2.994517 1.094941 2.173452 3.733649 3.192402 4.471517 4.030145 5.546978 4.584531 6.474675 3.061531 2.728469 3.789058 5.046749 5.013339 0.000000 4.135464 6.745838 2.584718 3.872429 5.377039 6.295888 6.259220 3.535506 2.128955 3.467001 4.896129 3.707083 1.093760 2.166981 3.953289 4.406689 4.790201 5.178947 5.367288 5.330479 6.719157 2.530150 3.767418 4.295356 5.688113 5.096168 1.756433 0.000000 6.771759 8.470456 4.205872 4.001075 6.120513 6.438247 6.602246 4.705954 2.839611 2.999752 6.050263 5.272193 2.188735 1.093987 6.166012 5.391738 7.006663 6.331256 6.225499 7.066586 6.688918 3.104820 2.365407 3.713490 6.597129 6.726784 2.542239 3.087548 0.000000 6.566392 7.986898 4.610809 4.963206 7.061730 7.637737 7.691220 5.288563 3.494865 4.219472 6.754530 5.483673 2.174483 1.092351 6.037219 5.653165 6.661564 6.316424 7.103208 6.778130 7.960206 3.757261 3.834861 5.063944 7.381868 7.219061 2.517356 2.505720 1.761854 0.000000 6.451046 8.980191 4.081643 4.781133 6.283017 6.846030 6.466285 5.052580 2.807366 3.673512 6.308150 5.694219 2.180033 1.094550 6.287113 6.180713 7.202889 7.112299 6.043098 7.564388 6.906916 2.560655 3.509079 4.214810 7.082832 6.768092 3.086796 2.528234 1.766914 1.765728 0.000000 4.908624 4.869770 3.827713 2.271104 4.657966 4.961975 6.561822 2.682621 4.053986 3.497520 3.634358 2.133582 4.115199 5.175424 3.368093 1.081382 3.855696 2.142518 5.728601 3.374542 6.098888 5.126541 3.613833 4.302055 3.371298 4.310847 3.238056 4.704802 5.034862 5.585267 6.076902 0.000000 2.784755 2.859502 5.051013 5.807303 6.611051 7.690957 8.489019 4.735311 6.071523 6.733917 5.254920 3.415669 5.801347 7.212339 2.150825 3.855372 1.081039 3.399184 7.196099 2.151777 8.685808 6.842935 7.313034 7.491815 5.461604 4.767761 5.287803 5.334192 7.812066 7.304197 7.831472 4.936715 0.000000 5.623699 2.871778 5.681751 4.678778 6.808448 7.247408 8.845260 4.683610 6.051095 5.834455 5.539729 3.420212 5.659559 6.691749 3.864510 2.154966 3.397835 1.081978 7.868624 2.150205 8.448124 7.136710 5.868899 6.724186 5.192081 5.871898 4.619878 5.948356 6.716340 6.742577 7.688207 2.480235 4.292304 0.000000 4.135062 8.931349 2.778377 4.162934 2.136094 3.239515 2.150275 3.390799 3.583991 3.995691 2.847639 4.636342 4.944661 5.985775 4.940787 5.870027 6.311495 7.069010 1.078063 7.241818 3.155068 3.320328 5.058288 3.602766 3.832196 2.750519 5.466138 4.971187 6.295314 6.928234 5.846230 6.038138 6.785297 8.006167 0.000000 7.582466 11.054862 5.424922 4.861623 3.131996 2.100415 2.154632 5.218793 5.498442 4.614498 4.472061 6.650897 6.970418 7.547764 7.615950 7.251891 8.916208 8.600460 3.137913 9.340017 1.079263 5.380101 5.220159 3.598040 4.629632 5.166604 7.264322 7.593793 7.214166 8.617307 7.528596 6.798208 9.700236 9.185033 4.167938 0.000000 C14H15Cl2N3O2 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 0 313.0746999999998 AuxInfo=1/0/N:14,13,18,16,17,10,11,21,19,20,9,12,15,8,2,1,7,6,5,4,3/CRV:3.3,4.3,5.3,8.3,9.3,10.3,12.3,13.3,17.2,18.2/rA:36ClClOONN2N2CCCCC3CCC3C3C3C3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s5s8;s8;s9;s13;s1s12;s12;s15;s16;s5s7;s2s17s18;s6s7;s9;s10;s10;s11;s11;s13;s13;s14;s14;s14;s16;s17;s18;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4383470 0.1585693 0.1441492 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= 970 RedAO= T EigKep= 1.04D-06 NBF= 970 NBsUse= 967 1.00D-06 EigRej= 4.99D-07 NBFU= 967 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= 1073 1073 1073 1073 1073 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 1 1 -1777.92067169323 -1777.98622784086 -0.065556147635 -1777.98597176473 0.000256076130 -1777.98676125799 -0.000789493256 -1777.98678741970 -0.000026161713 -1777.98679502309 -0.000007603386 -1777.98679604774 -0.000001024654 -1777.98679611070 -0.000000062956 -1777.98679612225 -0.000000011547 -1777.98679612394 -0.000000001694 -1777.98679612360 0.000000000337 -1777.98679612376 -0.000000000158 -1777.98679612 12 1.771951823547e+03 -8.214282217592e+03 2.649731148366e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1840250880 LenX= 1837829746 LenY= 1836627434 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. PT38032.900S Tue Jul 13 11:30:25 2021 GINC-AMBITE PAULAPLA 13-Jul-2021 0 Single Point etaconazole_RR CONF20 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1777.9867961 RMSD=9.182e-09 Dipole=-0.4123558,0.9475283,0.4321387 Quadrupole=5.5132751,-10.3321629,4.8188877,-4.5478513,-3.6947954,-1.2974663 PG=C01 [X(C14H15Cl2N3O2)] 0 0.7098792196 0.8426938445 -2.4944260784 0 3.1571260954 4.4379787836 0.6722043125 0 -1.287232202 -0.5064610993 -0.6487133453 0 -0.6530873867 -0.9583571416 1.4924204106 0 -0.0635101064 -3.0495394062 -0.3997262279 0 -0.0316196291 -3.9751281045 0.5959354271 0 -1.5577437576 -4.5493743887 -0.9770734644 0 -0.1582666588 -0.6497602938 0.2004269728 0 -2.4746640428 -0.4367491424 0.164987055 0 -2.0509438196 -1.254559809 1.3845556531 0 0.7038710059 -1.8231534452 -0.3204662274 0 0.6758055058 0.6340338126 0.2752661657 0 -2.8542472145 1.0133041282 0.4631282268 0 -4.2331135981 1.1436366858 1.1160886988 0 1.0978892309 1.3505666735 -0.8526091456 0 1.0633656239 1.1223872732 1.5275422068 0 1.8541715984 2.5153437434 -0.7376886451 0 1.8220007934 2.2783257629 1.6687857617 0 -0.9852741686 -3.4104612297 -1.3220020594 0 2.2072333005 2.9697214255 0.526340337 0 -0.9392154113 -4.8515303651 0.2004514566 0 -3.2661495988 -0.9326062033 -0.4027500985 0 -2.528903822 -0.9449960077 2.3139468475 0 -2.1999655151 -2.3273827561 1.2321188299 0 1.5291933234 -1.9907433489 0.36918631 0 1.0956496431 -1.581585997 -1.3073135607 0 -2.0825094296 1.4575591087 1.1002729445 0 -2.8327268226 1.5587985738 -0.4846498292 0 -4.2772855703 0.6311815443 2.0816173459 0 -4.4825673862 2.1925417708 1.2915899909 0 -5.0141771968 0.7183087751 0.4780636402 0 0.746779061 0.5785014164 2.4069442526 0 2.1590384789 3.0553278586 -1.6231929545 0 2.1070002383 2.6383604362 2.6484935337 0 -1.1980219887 -2.8136035374 -2.1941944855 0 -1.1564647647 -5.7400712669 0.7732571521