Gaussian 16 GINC-PALADIO PAULAPLA Optimization cyproconazole_RS CONF4 gas EM64L-G16RevC.01 9-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 38 38 77 77 556 (5D, 7F) 6-311+G(d,p) 108 108 C1[X(C15H18ClN3O)] C1[X(C15H18ClN3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 273.6329999999998 0 1 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2512233/Gau-11553.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2512233/" chk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RS/gas/CONF4/opt-b #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization cyproconazole_RS CONF4 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7276 1.4016 0.9708 1.3366 1.4447 1.3373 1.3125 1.3095 1.3444 1.493 1.5005 1.5124 1.086 1.4967 1.081 1.0824 1.0822 1.084 1.5537 1.5265 1.0979 1.5442 1.5244 1.0898 1.0905 1.0912 1.0925 1.088 1.3919 1.3925 1.3853 1.0807 1.3859 1.0825 1.3845 1.0813 1.384 1.0811 1.0792 1.0784 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 108.2573 121.1425 109.1677 129.6436 103.1033 102.7386 122.0325 116.0465 119.1057 115.1886 113.9947 117.948 118.0694 118.2505 118.3673 113.8649 118.4929 118.0354 118.8323 117.8373 113.7123 111.7346 108.7644 107.7739 114.9686 105.2789 107.9816 105.3724 108.606 111.0727 109.4047 111.4139 110.7948 109.1214 111.9074 113.596 106.974 106.6553 108.2525 112.2128 109.3204 106.6491 108.6238 112.4541 107.438 119.7018 122.5388 117.7381 121.4034 119.513 119.0815 121.6171 120.8079 117.5737 119.5712 120.2407 120.188 119.3272 120.3585 120.314 110.483 123.1462 126.3705 119.8869 119.7704 120.3427 114.5056 121.8803 123.6141 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 36 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 16 -166.2844 -49.1472 72.9371 177.9538 0.1981 -51.7949 68.7828 -175.3494 125.4518 -113.9706 1.8973 -0.4062 179.7912 -177.9115 2.2859 0.0674 -179.854 0.415 -179.7903 -0.3023 179.6175 -0.7596 -144.0782 146.3482 3.0296 139.1127 -4.7334 -1.7984 -145.6446 81.0646 -150.9566 -34.1302 151.993 -80.0281 36.7983 -66.6554 61.3234 178.1499 -144.1785 -0.1 0.1236 144.2021 -62.6421 -179.2362 57.9127 172.7732 56.1791 -66.672 54.0737 -62.5204 174.6285 54.9205 -63.2736 173.7671 -178.9503 62.8557 -60.1036 -61.7731 -179.9672 57.0735 67.5531 -53.4266 -172.2067 -177.9187 61.1016 -57.6785 -54.7002 -175.6799 65.54 20.2055 -161.5116 -96.941 81.3418 141.008 -40.7092 178.2039 -1.2668 -0.1606 -179.6313 -178.2889 1.2955 0.0259 179.6103 0.2012 -179.9108 179.6741 -0.4379 0.0664 -179.7578 -179.5309 0.6448 179.8647 -0.1042 -0.0234 -179.9922 -179.9959 -0.027 -0.1716 179.7973 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 576 A 556 A 881 576 1724.4529685600 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 556 RedAO= T EigKep= 2.30D-06 NBF= 556 NBsUse= 553 1.00D-06 EigRej= 9.71D-07 NBFU= 553 Berny optimization. local minimum Step number 14 out of a maximum of 218 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00170 0.00255 0.00346 0.00565 0.00829 0.00958 0.01589 0.01637 0.01816 0.01994 0.02192 0.02242 0.02265 0.02286 0.02288 0.02290 0.02294 0.02313 0.02362 0.02610 0.02628 0.02985 0.03131 0.03227 0.03536 0.03634 0.03983 0.04605 0.04697 0.05174 0.05308 0.05469 0.05605 0.05756 0.06682 0.07444 0.08953 0.09826 0.09952 0.10530 0.10608 0.12844 0.14857 0.15467 0.15840 0.15997 0.15999 0.16000 0.16001 0.16018 0.16026 0.16052 0.16235 0.16320 0.17310 0.17771 0.18218 0.19582 0.20808 0.22017 0.22525 0.23358 0.23639 0.24926 0.24997 0.26766 0.27113 0.27680 0.28635 0.28869 0.29947 0.30600 0.30990 0.31538 0.32867 0.33708 0.34083 0.34504 0.34761 0.34827 0.35007 0.35154 0.35429 0.35481 0.35591 0.35702 0.35729 0.35823 0.35853 0.35944 0.36091 0.36131 0.36261 0.36737 0.42094 0.42893 0.43472 0.44035 0.47376 0.47657 0.48289 0.49460 0.50963 0.53651 0.54290 0.56952 0.60418 0.65549 -7.24192286e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 3.32480 2.69540 1.83887 2.56926 2.75541 2.54860 2.50340 2.49800 2.56524 2.84206 2.85712 2.87244 2.05243 2.85369 2.04452 2.04806 2.04780 2.05063 2.95645 2.90296 2.07285 2.93235 2.89719 2.06374 2.06502 2.06557 2.06334 2.05525 2.64102 2.64403 2.63060 2.04408 2.63207 2.04660 2.62780 2.04582 2.62689 2.04552 2.03899 2.03908 1.88445 2.11415 1.90303 2.26386 1.79542 1.79485 2.12469 2.02705 2.08212 2.01754 1.98544 2.04185 2.05959 2.06583 2.06541 1.99720 2.06566 2.05350 2.07182 2.05458 1.99309 1.94935 1.90425 1.88169 2.00591 1.82139 1.89526 1.82876 1.88064 1.93571 1.91611 1.95651 1.94151 1.90173 1.94290 1.97677 1.87385 1.87155 1.89301 1.96006 1.90176 1.85878 1.88551 1.96031 1.89602 2.08734 2.13445 2.06105 2.11714 2.07389 2.09216 2.11915 2.10671 2.05732 2.08166 2.10614 2.09538 2.07854 2.10768 2.09696 1.93039 2.14528 2.20752 2.08844 2.08591 2.10883 2.00102 2.12490 2.15725 -2.86136 -0.82150 1.30732 3.08293 0.00506 -0.95532 1.13300 -3.10797 2.10794 -2.08694 -0.04472 -0.01017 3.13343 -3.08084 0.06277 0.00151 3.13943 0.01032 -3.13338 -0.00740 3.13795 -0.01554 -2.50793 2.53653 0.04414 2.43697 -0.07561 -0.03012 -2.54269 1.37132 -2.67506 -0.61987 2.61092 -1.43546 0.61974 -1.19353 1.04328 3.09847 -2.54023 -0.01567 0.00110 2.52567 -1.11768 -3.13301 0.98306 2.98415 0.96882 -1.19830 0.91055 -1.10478 3.01129 0.95129 -1.11200 3.03261 -3.12716 1.09274 -1.04584 -1.09534 3.12456 0.98598 1.17654 -0.92122 -3.01199 -3.12450 1.06092 -1.02985 -0.94869 -3.04645 1.14596 0.34161 -2.82875 -1.69581 1.41701 2.43448 -0.73588 3.11521 -0.02317 0.00118 -3.13720 -3.11574 0.02385 -0.00249 3.13709 0.00064 3.14073 3.13898 -0.00411 0.00196 -3.13563 -3.13768 0.00791 3.13826 -0.00121 -0.00185 -3.14132 -3.13953 -0.00006 -0.00192 3.13755 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 -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 0.00002 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00002 0.00002 -0.00002 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00002 -0.00000 0.00001 0.00001 0.00001 -0.00004 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00003 0.00000 0.00000 0.00001 -0.00002 0.00002 0.00002 -0.00003 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00007 0.00010 0.00005 0.00001 -0.00003 -0.00004 -0.00004 -0.00001 0.00001 0.00001 0.00005 0.00004 -0.00000 -0.00000 -0.00005 0.00001 0.00002 -0.00003 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00002 -0.00001 -0.00001 0.00013 0.00013 0.00014 0.00013 0.00013 0.00013 0.00012 0.00011 0.00012 0.00002 0.00002 0.00001 0.00001 0.00009 0.00008 0.00012 0.00010 0.00009 0.00013 0.00008 0.00007 0.00012 0.00012 0.00013 0.00013 0.00011 0.00012 0.00012 0.00012 0.00013 0.00013 -0.00009 -0.00008 -0.00011 -0.00006 -0.00005 -0.00008 -0.00007 -0.00007 -0.00010 -0.00009 -0.00007 -0.00013 -0.00011 -0.00011 -0.00010 0.00001 0.00003 -0.00000 0.00001 -0.00002 -0.00003 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00005 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00003 -0.00003 0.00000 0.00003 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00001 -0.00002 0.00004 -0.00001 0.00001 -0.00000 -0.00002 -0.00005 0.00002 -0.00002 -0.00001 0.00000 0.00006 0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 0.00002 0.00001 0.00002 -0.00004 -0.00001 0.00003 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00006 -0.00009 -0.00003 0.00021 0.00017 0.00006 0.00006 0.00002 0.00010 0.00010 0.00006 -0.00012 -0.00008 -0.00015 -0.00012 -0.00018 -0.00002 0.00001 -0.00003 0.00011 -0.00005 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00001 -0.00003 -0.00003 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 0.00001 0.00003 0.00003 -0.00001 0.00001 -0.00000 0.00002 0.00002 0.00003 -0.00003 -0.00001 -0.00001 -0.00007 0.00000 0.00001 -0.00005 0.00011 0.00011 0.00011 0.00011 0.00011 0.00011 0.00011 0.00011 0.00010 0.00011 0.00012 0.00015 0.00006 0.00007 0.00010 0.00009 0.00011 0.00014 -0.00002 -0.00002 0.00005 0.00005 0.00002 0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00004 -0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00003 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00003 0.00000 0.00003 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00002 0.00000 0.00001 -0.00003 0.00003 -0.00004 0.00002 -0.00003 0.00002 -0.00001 0.00001 -0.00000 -0.00001 -0.00003 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00001 -0.00003 -0.00001 0.00002 0.00002 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00002 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00003 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 0.00022 0.00014 0.00002 0.00003 0.00001 0.00011 0.00011 0.00010 -0.00008 -0.00009 -0.00016 -0.00016 -0.00016 -0.00001 -0.00002 -0.00001 0.00012 -0.00004 0.00001 0.00000 0.00001 0.00001 -0.00003 -0.00003 -0.00004 -0.00005 0.00012 0.00014 0.00014 0.00012 0.00014 0.00014 0.00013 0.00014 0.00015 0.00001 0.00003 0.00001 0.00003 0.00011 0.00010 0.00008 0.00009 0.00008 0.00006 0.00009 0.00008 0.00006 0.00023 0.00024 0.00024 0.00023 0.00023 0.00023 0.00023 0.00023 0.00023 0.00003 0.00004 0.00004 0.00000 0.00002 0.00002 0.00002 0.00004 0.00004 -0.00011 -0.00009 -0.00007 -0.00006 -0.00009 -0.00007 0.00002 0.00002 0.00000 -0.00000 -0.00002 -0.00004 -0.00000 -0.00003 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00002 0.00002 3.32484 2.69539 1.83888 2.56925 2.75540 2.54858 2.50338 2.49799 2.56523 2.84204 2.85711 2.87243 2.05243 2.85368 2.04453 2.04806 2.04780 2.05063 2.95643 2.90296 2.07285 2.93236 2.89720 2.06374 2.06502 2.06558 2.06333 2.05525 2.64101 2.64404 2.63061 2.04409 2.63207 2.04660 2.62779 2.04581 2.62688 2.04551 2.03900 2.03908 1.88446 2.11412 1.90304 2.26389 1.79542 1.79485 2.12469 2.02704 2.08211 2.01754 1.98545 2.04185 2.05959 2.06581 2.06543 1.99720 2.06567 2.05347 2.07185 2.05454 1.99311 1.94933 1.90428 1.88169 2.00593 1.82139 1.89526 1.82874 1.88065 1.93570 1.91611 1.95651 1.94152 1.90174 1.94290 1.97679 1.87384 1.87154 1.89300 1.96004 1.90175 1.85880 1.88553 1.96032 1.89600 2.08734 2.13445 2.06105 2.11714 2.07388 2.09216 2.11916 2.10671 2.05732 2.08165 2.10615 2.09539 2.07852 2.10769 2.09697 1.93038 2.14528 2.20752 2.08843 2.08590 2.10886 2.00102 2.12491 2.15725 -2.86135 -0.82150 1.30734 3.08314 0.00521 -0.95529 1.13302 -3.10796 2.10805 -2.08682 -0.04462 -0.01025 3.13335 -3.08100 0.06260 0.00134 3.13942 0.01030 -3.13339 -0.00728 3.13791 -0.01553 -2.50793 2.53655 0.04415 2.43694 -0.07564 -0.03016 -2.54273 1.37144 -2.67492 -0.61972 2.61104 -1.43532 0.61987 -1.19340 1.04342 3.09862 -2.54022 -0.01564 0.00111 2.52570 -1.11757 -3.13291 0.98314 2.98423 0.96890 -1.19824 0.91063 -1.10470 3.01135 0.95152 -1.11176 3.03284 -3.12693 1.09297 -1.04561 -1.09511 3.12479 0.98621 1.17657 -0.92117 -3.01195 -3.12450 1.06094 -1.02983 -0.94867 -3.04641 1.14600 0.34150 -2.82884 -1.69589 1.41696 2.43439 -0.73595 3.11523 -0.02315 0.00118 -3.13720 -3.11576 0.02381 -0.00250 3.13707 0.00064 3.14073 3.13899 -0.00411 0.00196 -3.13564 -3.13766 0.00792 3.13825 -0.00122 -0.00185 -3.14132 -3.13953 -0.00005 -0.00190 3.13757 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000003 0.000605 0.000131 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.831673e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7594 1.4263 0.9731 1.3596 1.4581 1.3487 1.3247 1.3219 1.3575 1.504 1.5119 1.52 1.0861 1.5101 1.0819 1.0838 1.0837 1.0851 1.5645 1.5362 1.0969 1.5517 1.5331 1.0921 1.0928 1.0931 1.0919 1.0876 1.3976 1.3992 1.3921 1.0817 1.3928 1.083 1.3906 1.0826 1.3901 1.0824 1.079 1.079 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 107.971 121.1318 109.0359 129.7099 102.8702 102.8371 121.7357 116.1415 119.2969 115.5966 113.7573 116.9895 118.0057 118.3631 118.3394 114.431 118.3533 117.6569 118.7066 117.7185 114.1957 111.6896 109.1057 107.813 114.9304 104.3581 108.5905 104.7804 107.7527 110.9081 109.7848 112.0995 111.2405 108.9612 111.3197 113.2606 107.3634 107.2317 108.4614 112.3033 108.963 106.5002 108.0319 112.3175 108.634 119.5957 122.2953 118.0893 121.3031 118.825 119.8717 121.4185 120.7055 117.8759 119.2704 120.6729 120.0566 119.0915 120.7613 120.1469 110.6031 122.9153 126.4815 119.6588 119.514 120.8271 114.6503 121.7481 123.6013 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 -163.9438 -47.0687 74.9041 176.6386 0.2902 -54.7356 64.9159 -178.0738 120.7758 -119.5727 -2.5624 -0.583 179.5325 -176.5193 3.5962 0.0864 179.876 0.5914 -179.5292 -0.4238 179.7911 -0.8903 -143.694 145.3327 2.529 139.6278 -4.3319 -1.7256 -145.6853 78.5707 -153.2698 -35.5157 149.5948 -82.2457 35.5083 -68.3841 59.7754 177.5295 -145.5447 -0.8976 0.063 144.7102 -64.0385 -179.5084 56.3249 170.9789 55.5091 -68.6577 52.1705 -63.2993 172.5339 54.5049 -63.7129 173.7555 -179.1729 62.6094 -59.9223 -62.7583 179.024 56.4924 67.4109 -52.7818 -172.5744 -179.0209 60.7864 -59.0062 -54.3559 -174.5487 65.6587 19.5725 -162.0756 -97.1629 81.1889 139.4852 -42.163 178.4884 -1.3273 0.0675 -179.7481 -178.5185 1.3666 -0.1429 179.7422 0.0366 179.9508 179.8503 -0.2355 0.1123 -179.6585 -179.776 0.4532 179.8088 -0.0695 -0.1059 -179.9842 -179.8821 -0.0036 -0.1098 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0458838315 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.665875 0.000000 6.609021 2.938632 0.000000 6.843467 2.779114 1.336572 0.000000 6.805847 4.808280 2.174556 2.234666 0.000000 6.571066 2.869153 5.015835 5.382084 7.009842 0.000000 7.444301 3.045743 5.753265 5.814718 7.724234 1.492954 0.000000 7.860109 4.010503 6.313177 6.655534 8.383396 1.500453 1.496688 0.000000 6.747315 2.352269 3.827191 4.422915 5.926549 1.512429 2.628998 2.597403 0.000000 6.045180 1.401643 2.481553 2.953964 4.500592 2.538061 3.377826 3.883507 1.553697 0.000000 6.832854 3.749043 4.362885 5.288244 6.338306 2.470421 3.834505 3.259229 1.526503 2.597402 0.000000 6.782787 2.393765 1.444656 2.422940 3.585111 3.884191 4.740708 5.080322 2.528349 1.544151 3.023675 0.000000 4.521468 2.413484 2.922615 3.358554 4.429043 3.000032 3.984859 4.499127 2.543079 1.524405 3.156208 2.525787 0.000000 3.985440 2.755376 3.890530 3.899119 5.090851 3.308159 3.925829 4.732393 3.422333 2.522663 4.255756 3.726765 1.391892 0.000000 3.982773 3.703374 3.240227 4.004723 4.379457 3.912704 5.128677 5.355991 3.320924 2.558629 3.298313 2.975629 1.392546 2.383446 0.000000 2.699109 4.131306 4.857215 4.875651 5.639592 4.365162 5.014288 5.722703 4.619464 3.809523 5.200245 4.869840 2.421953 1.385308 2.762313 0.000000 2.697125 4.822185 4.350260 4.961290 5.000941 4.846070 6.012486 6.255174 4.547148 3.835908 4.447877 4.319182 2.425565 2.767401 1.385893 2.401798 0.000000 6.583489 4.226519 1.337289 2.179102 1.309495 6.109527 6.973955 7.452233 4.906267 3.621522 5.148604 2.518044 3.683247 4.640691 3.527258 5.326159 4.382208 0.000000 1.727570 4.985648 5.042732 5.331578 5.594116 5.029005 5.956717 6.409356 5.076813 4.317701 5.274979 5.102874 2.793898 2.393566 2.390661 1.384548 1.384042 5.209716 0.000000 6.929462 4.034965 2.074733 1.312510 1.344358 6.567493 7.047290 7.897118 5.617396 4.113331 6.341487 3.463027 4.198083 4.632972 4.562904 5.335051 5.273313 2.073267 5.619846 0.000000 5.668717 3.386336 5.282604 5.674227 7.105312 1.086014 2.198232 2.194955 2.191514 2.886242 2.770505 4.292194 2.763278 2.863184 3.499267 3.652806 4.177533 6.240066 4.236115 6.744623 0.000000 8.087869 2.706074 5.514245 5.443410 7.498486 2.215939 1.081043 2.222702 2.820879 3.373047 4.195390 4.556038 4.283536 4.305444 5.523804 5.529310 6.532242 6.809907 6.527150 6.714726 3.090011 0.000000 7.236955 3.595961 6.373621 6.300891 8.204142 2.218355 1.082353 2.225062 3.521958 4.044776 4.684647 5.509424 4.343935 3.930735 5.506705 4.828949 6.191803 7.561589 5.894444 7.462360 2.479726 1.812986 0.000000 7.949582 4.944712 7.214317 7.578581 9.233942 2.229736 2.230108 1.082185 3.482354 4.751402 3.878564 5.999060 5.125207 5.224176 5.863010 6.018801 6.588352 8.297229 6.652456 8.784578 2.479304 3.109957 2.532822 0.000000 8.728580 4.330885 6.462116 6.873493 8.606768 2.226104 2.220474 1.084047 2.771311 4.189431 3.278897 5.134008 5.069852 5.504722 5.878069 6.588073 6.908344 7.614176 7.215838 8.150407 3.089596 2.514593 3.105307 1.813787 0.000000 7.795530 2.484522 4.059719 4.568910 6.231059 2.122860 2.733293 2.694399 1.097879 2.125633 2.137826 2.714818 3.447672 4.284797 4.283395 5.567301 5.568637 5.229202 6.104452 5.833234 3.064527 2.559099 3.768827 3.720164 2.486005 0.000000 7.588600 4.494756 5.391664 6.276746 7.403928 2.651985 3.880945 2.913151 2.146573 3.520285 1.089805 4.004370 4.121655 5.081745 4.295802 5.994780 5.342828 6.204879 6.102747 7.375794 3.029213 4.308769 4.753382 3.386840 2.742357 2.464294 0.000000 5.954767 4.165857 4.578990 5.532588 6.350815 2.761700 4.247270 3.714958 2.182088 2.900208 1.090475 3.437875 2.893393 3.934547 2.694730 4.632645 3.634249 5.191059 4.503253 6.461452 2.618282 4.789501 4.916223 4.124197 3.979786 3.064376 1.752340 0.000000 7.332515 4.108619 4.055714 5.143737 5.964560 3.449491 4.720880 4.204114 2.203246 2.905087 1.091153 2.735035 3.596498 4.867450 3.542825 5.822056 4.764120 4.699903 5.773656 6.119083 3.811402 4.906436 5.629445 4.886822 4.040372 2.501060 1.749268 1.767796 0.000000 7.837722 2.583484 2.079684 2.784732 4.145956 4.148596 4.797685 5.108090 2.749097 2.157683 3.342145 1.092547 3.459912 4.559363 4.033405 5.798716 5.393070 3.171447 6.140549 3.894753 4.784436 4.408441 5.672021 6.112020 4.958121 2.478269 4.141260 4.026096 2.947693 0.000000 6.759027 3.348961 2.042397 3.280690 3.871153 4.198671 5.289686 5.355883 2.777217 2.202601 2.674836 1.087983 2.847771 4.205476 2.804722 5.186333 4.125259 2.609832 5.147869 4.100131 4.497374 5.249503 6.092528 6.188937 5.361224 3.084834 3.670721 2.976785 2.108775 1.757782 0.000000 6.686247 0.970814 2.496401 1.967443 4.106984 3.806877 3.955118 4.978405 3.203491 1.938989 4.480912 2.461663 2.680257 2.936832 3.879670 4.215584 4.925217 3.740785 5.054221 3.183982 4.219877 3.550727 4.398515 5.900300 5.287978 3.317237 5.315873 4.831799 4.695168 2.690644 3.506948 0.000000 4.830354 2.387745 4.233885 3.973848 5.527055 3.198496 3.390014 4.477034 3.526113 2.707027 4.656675 4.036339 2.141799 1.080702 3.367360 2.131277 3.848031 5.169508 3.368210 4.822445 2.956642 3.649015 3.265384 5.015542 5.263769 4.203011 5.383788 4.535552 5.323074 4.672897 4.713298 2.598804 0.000000 4.814034 4.104150 3.119180 4.174249 4.306212 4.265592 5.585814 5.612467 3.369374 2.789725 2.971823 2.720578 2.157554 3.377233 1.082487 3.844292 2.116918 3.240133 3.357206 4.712751 4.011411 5.916592 6.123401 6.165419 5.961304 4.223179 3.987732 2.429664 2.912486 3.730219 2.172868 4.293955 4.280641 0.000000 2.845400 4.745505 5.732794 5.562705 6.395255 4.966161 5.368917 6.203001 5.433065 4.666393 6.125074 5.803239 3.399064 2.144122 3.843652 1.081341 3.381839 6.225276 2.142881 5.966734 4.233111 5.893193 4.971280 6.410116 7.141572 6.331156 6.850268 5.583130 6.811659 6.675309 6.204522 4.793313 2.455220 4.925606 0.000000 2.844444 5.789029 4.952271 5.692914 5.363148 5.705224 6.958403 7.059470 5.322578 4.703142 4.958834 4.964430 3.402494 3.848508 2.145702 3.382550 1.081117 4.733593 2.143567 5.864905 5.024021 7.500422 7.173288 7.340684 7.661440 6.332159 5.811012 4.059516 5.143046 6.037258 4.570079 5.873580 4.929147 2.433541 4.276041 0.000000 6.680167 4.905779 2.128639 3.207891 2.134336 6.383470 7.414260 7.696226 5.113016 4.044470 5.030120 2.856981 4.034730 5.141804 3.537188 5.731163 4.337569 1.079164 5.382283 3.130060 6.463316 7.339590 8.055174 8.490367 7.812825 5.485649 6.057955 4.991737 4.442789 3.527708 2.507963 4.575232 5.804979 2.964418 6.705285 4.466623 0.000000 7.346707 4.626634 3.113197 2.093038 2.139041 7.286534 7.609610 8.592507 6.458366 4.938846 7.298213 4.445603 4.970716 5.161638 5.426659 5.769556 6.008771 3.115376 6.162101 1.078426 7.453165 7.223571 7.925401 9.473708 8.884770 6.643378 8.317618 7.415871 7.135261 4.800655 5.151387 3.690836 5.216643 5.688553 6.239948 6.626460 4.142687 0.000000 C15H18ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3214382 0.2822523 0.1799732 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.718914 0.000000 6.660419 2.951091 0.000000 6.947125 2.805155 1.359596 0.000000 6.786387 4.819478 2.195666 2.257811 0.000000 6.622527 2.896942 5.049831 5.443085 7.036658 0.000000 7.433295 3.027950 5.755219 5.824141 7.708594 1.503954 0.000000 7.932469 4.009948 6.348033 6.694891 8.416226 1.511923 1.510106 0.000000 6.816337 2.370791 3.860018 4.475919 5.965735 1.520032 2.641462 2.616403 0.000000 6.090102 1.426343 2.500255 3.008036 4.517934 2.552623 3.370548 3.900364 1.564488 0.000000 6.947403 3.777928 4.403907 5.353590 6.394643 2.489765 3.870117 3.310817 1.536182 2.614111 0.000000 6.837951 2.406667 1.458099 2.454469 3.619000 3.909201 4.751310 5.112684 2.549309 1.551734 3.043272 0.000000 4.557544 2.438384 2.948468 3.434439 4.427422 3.015662 3.957666 4.525751 2.569601 1.533127 3.208652 2.545998 0.000000 4.022372 2.768883 3.901928 3.956426 5.059566 3.334405 3.882428 4.755698 3.453152 2.533787 4.321256 3.741678 1.397566 0.000000 4.020110 3.735687 3.284668 4.101507 4.397261 3.922003 5.107772 5.392235 3.347752 2.569104 3.352986 3.006077 1.399161 2.398385 0.000000 2.729563 4.151031 4.874424 4.940945 5.597655 4.396128 4.972791 5.758180 4.659553 3.826866 5.282781 4.892815 2.431589 1.392054 2.779984 0.000000 2.727191 4.856491 4.392630 5.059369 5.001911 4.862823 5.988188 6.300507 4.583535 3.852440 4.520795 4.352914 2.435035 2.783620 1.392834 2.418096 0.000000 6.558145 4.231513 1.348660 2.205334 1.321885 6.124814 6.959872 7.483763 4.934161 3.622441 5.189590 2.541201 3.662056 4.599437 3.518845 5.277859 4.360671 0.000000 1.759407 5.009067 5.067723 5.410953 5.562718 5.049821 5.918863 6.449512 5.113072 4.330754 5.354739 5.127543 2.798141 2.400920 2.398974 1.390574 1.390088 5.164990 0.000000 6.986548 4.055808 2.099002 1.324740 1.357467 6.616979 7.043585 7.933377 5.667889 4.154137 6.408563 3.499259 4.243289 4.652755 4.633394 5.356130 5.339289 2.094627 5.658578 0.000000 5.735751 3.442516 5.327093 5.765942 7.136879 1.086099 2.209264 2.210068 2.195516 2.909806 2.774166 4.318678 2.792978 2.929853 3.503866 3.720355 4.193529 6.250548 4.274555 6.817753 0.000000 8.034777 2.626893 5.471436 5.390562 7.440040 2.215697 1.081916 2.236798 2.813814 3.328065 4.215489 4.532808 4.215385 4.210054 5.470589 5.438396 6.473126 6.760749 6.446872 6.654654 3.089403 0.000000 7.190470 3.593619 6.372373 6.316858 8.172792 2.228722 1.083787 2.238038 3.534141 4.038701 4.714837 5.518135 4.304150 3.872640 5.464925 4.762145 6.139293 7.530822 5.827245 7.455659 2.491812 1.820734 0.000000 8.041387 4.955691 7.258594 7.632957 9.274228 2.239728 2.242041 1.083650 3.502547 4.775138 3.932012 6.037103 5.162868 5.265437 5.908312 6.074911 6.646524 8.333855 6.711327 8.833629 2.496090 3.126804 2.545079 0.000000 8.810970 4.303876 6.487029 6.886436 8.639841 2.233060 2.232119 1.085145 2.784697 4.196544 3.336299 5.159422 5.095267 5.519921 5.924064 6.620842 6.966165 7.652025 7.262358 8.169778 3.100477 2.528869 3.118650 1.820920 0.000000 7.851240 2.464803 4.076804 4.582903 6.264340 2.129274 2.749002 2.706211 1.096904 2.121777 2.153474 2.728493 3.458946 4.289275 4.307728 5.583973 5.600185 5.261016 6.126451 5.857083 3.067825 2.562537 3.785605 3.732406 2.490929 0.000000 7.704415 4.519795 5.435380 6.338333 7.465218 2.666871 3.927505 2.970153 2.154697 3.537613 1.092082 4.029315 4.169684 5.143489 4.347194 6.075267 5.414313 6.253975 6.181803 7.442077 3.021182 4.351097 4.792940 3.441481 2.817518 2.487054 0.000000 6.076898 4.195904 4.609597 5.602880 6.388790 2.777402 4.274303 3.773249 2.185090 2.905771 1.092760 3.443039 2.939440 4.006797 2.737514 4.726057 3.704749 5.206063 4.590514 6.525796 2.619302 4.795851 4.936144 4.192342 4.045166 3.073514 1.760413 0.000000 7.457186 4.123559 4.091853 5.193893 6.030424 3.466558 4.750954 4.250895 2.209264 2.914767 1.093055 2.746957 3.649187 4.927495 3.611830 5.903548 4.852337 4.754561 5.860996 6.180918 3.817017 4.918657 5.655068 4.938276 4.093186 2.511496 1.759162 1.773520 0.000000 7.886955 2.573130 2.086369 2.780496 4.192076 4.164453 4.807329 5.126272 2.757913 2.156150 3.347805 1.091870 3.471670 4.561128 4.060913 5.810109 5.424325 3.217689 6.158380 3.917526 4.800623 4.391872 5.683124 6.133563 4.966823 2.483261 4.154575 4.020962 2.943610 0.000000 6.817709 3.365474 2.051757 3.311821 3.902247 4.228684 5.313451 5.409655 2.806341 2.207366 2.705076 1.087590 2.867105 4.224637 2.833133 5.214365 4.159487 2.629070 5.176019 4.134777 4.517658 5.245291 6.107635 6.247494 5.419245 3.119461 3.710881 2.982896 2.142386 1.770283 0.000000 6.759270 0.973087 2.487172 1.974170 4.105309 3.840659 3.942717 4.981200 3.217891 1.959035 4.503607 2.452771 2.717926 2.972124 3.923585 4.257484 4.975142 3.729438 5.097709 3.192477 4.290297 3.472282 4.406159 5.918386 5.257146 3.287347 5.334784 4.861436 4.697847 2.649742 3.501497 0.000000 4.876028 2.376710 4.221064 3.996343 5.478562 3.225215 3.339182 4.485713 3.541956 2.703999 4.704453 4.029888 2.140312 1.081681 3.377368 2.146570 3.865294 5.115214 3.382677 4.813882 3.040214 3.533263 3.215324 5.046929 5.252313 4.184075 5.429546 4.594398 5.357998 4.648787 4.713615 2.611942 0.000000 4.854041 4.134819 3.174311 4.272233 4.352951 4.266380 5.572140 5.647601 3.387867 2.795325 3.008805 2.754203 2.162888 3.390675 1.083014 3.862656 2.126850 3.261111 3.368807 4.796609 3.994968 5.877957 6.089265 6.205620 6.011832 4.250552 4.024990 2.438748 2.976387 3.766193 2.206805 4.330276 4.286390 0.000000 2.865214 4.767464 5.745961 5.619683 6.340193 5.007793 5.331795 6.242847 5.478806 4.689135 6.213165 5.826923 3.412925 2.155788 3.862573 1.082599 3.396581 6.170458 2.147959 5.975243 4.319199 5.803221 4.909800 6.473488 7.174585 6.350096 6.937799 5.684148 6.895618 6.685978 6.233314 4.838478 2.483081 4.945178 0.000000 2.862984 5.829179 5.007274 5.800682 5.381933 5.722342 6.940102 7.111905 5.363673 4.724972 5.036025 5.008324 3.416442 3.866046 2.157287 3.397121 1.082441 4.729773 2.148345 5.945230 5.030484 7.451589 7.122601 7.403938 7.733148 6.374805 5.888720 4.129222 5.244042 6.082337 4.615883 5.927584 4.947725 2.452997 4.287154 0.000000 6.600589 4.901805 2.136491 3.233797 2.146542 6.378547 7.391149 7.723421 5.128816 4.025626 5.058748 2.875376 3.977804 5.067833 3.477154 5.642287 4.258689 1.078988 5.286719 3.151367 6.437132 7.292719 8.006740 8.518162 7.860727 5.523352 6.100969 4.978867 4.500744 3.589191 2.524964 4.555938 5.726293 2.938385 6.611358 4.404003 0.000000 7.427050 4.654663 3.138581 2.103224 2.151337 7.345205 7.608565 8.628518 6.513601 4.989113 7.370099 4.483226 5.031492 5.201280 5.512377 5.812812 6.094890 3.136941 6.224484 1.079033 7.544376 7.160495 7.926321 9.524905 8.896406 6.664163 8.386608 7.491139 7.197137 4.818204 5.187102 3.712979 5.227769 5.782324 6.270595 6.725468 4.164405 0.000000 C15H18ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3189524 0.2776801 0.1780916 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1709.5005323936 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0454498765 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1710.0172696710 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0454548661 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1716.4949472812 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0460493730 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1716.2651354964 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0460602119 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1712.3503533316 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457324980 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1712.6989958406 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457184606 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1712.7104775578 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457016000 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1712.8653921320 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457265977 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.0084963058 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457388832 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.1384257461 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457542262 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.1076792159 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457513645 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.1132463712 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457500339 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.1045625359 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457484861 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 556 RedAO= T EigKep= 1.07D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 8.88D-07 NBFU= 554 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1281.80844829963 -1281.38446946137 0.423978838261 -1282.33306991864 -0.948600457270 -1282.33904031909 -0.005970400452 -1282.35295728586 -0.013916966772 -1282.35351803205 -0.000560746189 -1282.35361188733 -0.000093855276 -1282.35362135829 -0.000009470967 -1282.35362176267 -0.000000404375 -1282.35362185050 -0.000000087828 -1282.35362185468 -0.000000004183 -1282.35362185543 -0.000000000753 -1282.35362185558 -0.000000000146 -1282.35362185550 0.000000000078 -1282.35362185558 -0.000000000085 -1282.35362186 15 1.278292778126e+03 -6.454846678780e+03 2.169793194070e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953844707 LenY= 4953512355 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 8.53642929e-01 -4.04990590e-02 8.73638330e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.013034179 -0.006379378 -0.000597736 0.006506866 0.001631004 -0.012251159 0.006255878 -0.005328060 0.008814170 0.009612133 -0.002860870 -0.016672075 -0.012534381 0.009423178 0.001716115 -0.005103625 -0.000452691 0.002186003 0.000997637 0.001464270 -0.009908226 0.006802059 -0.006098541 0.004486252 0.003673764 -0.000293703 0.001009677 -0.002494809 -0.002101349 0.009918790 0.000295810 -0.000901368 0.005473424 0.005859963 -0.000346084 0.006317951 -0.000703849 0.000106020 -0.000725421 0.002473949 -0.000499220 -0.004512382 0.001456180 0.002188934 0.005278480 -0.000683690 -0.001723928 -0.005105865 -0.002178044 0.000609722 0.004961155 -0.002486167 -0.002023346 0.017063374 0.005562996 0.002675924 0.000265398 -0.007323539 0.008353298 -0.013847757 -0.000394276 0.000514734 0.000043468 -0.000491539 0.001573554 0.000271866 -0.000548781 -0.000649421 -0.000880028 -0.000138345 -0.001227353 0.000127691 0.000506214 0.000747206 0.000565167 -0.000689414 0.000665633 -0.001218611 0.001359422 -0.001120725 0.000084225 -0.001401138 -0.000497792 -0.000340919 -0.000227457 0.001404402 0.000553704 0.000325022 -0.000344575 -0.001681873 -0.000659129 -0.000495308 -0.000453975 -0.000683106 0.001807162 -0.000505286 0.001415847 0.000838616 -0.000001213 0.000241545 0.000386209 0.000101102 -0.000782836 -0.000615641 -0.000696864 -0.001026750 -0.000269363 0.000635543 0.000285054 -0.000431750 0.000092524 -0.000045285 0.000270599 -0.000566687 0.017063374 0.004637827 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1282.35666236281 -1282.35666366597 -0.000001303159 -1282.35666367153 -0.000000005559 -1282.35666367900 -0.000000007474 -1282.35666367951 -0.000000000504 -1282.35666367992 -0.000000000417 -1282.35666367993 -0.000000000003 -1282.35666367987 0.000000000055 -1282.35666368007 -0.000000000202 -1282.35666368 9 1.277730091711e+03 -6.431735257637e+03 2.158589688196e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953844707 LenY= 4953512355 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) PT151506S Fri Jul 9 11:59:03 2021 8.85736084e-01 -3.82662709e-02 9.08501804e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1282.3566637 2.999E-9 5.29E-6 -5.4638758,-4.1109267,9.5748025,2.2423973,3.5139494,1.8339113 C01 [X(C15H18Cl1N3O1)] 0.8664478 -0.1169139 0.9203084 -0.000009118 -0.000003636 -0.000000090 0.000004779 -0.000012941 0.000002909 -0.000012781 0.000007842 0.000004572 -0.000010808 -0.000013810 -0.000001960 -0.000000831 -0.000006701 -0.000005429 0.000004806 0.000003905 -0.000005951 -0.000003852 -0.000002407 0.000007323 -0.000004011 -0.000003782 0.000000818 -0.000008280 0.000000578 -0.000006025 0.000001975 -0.000002264 0.000005343 0.000000323 0.000003115 -0.000005229 0.000005021 0.000002368 -0.000010098 0.000007116 -0.000001703 -0.000008667 0.000003815 0.000002271 0.000007934 -0.000004695 0.000000432 0.000000967 -0.000010993 -0.000005796 -0.000000684 -0.000006916 -0.000000358 0.000005836 0.000009030 0.000001303 -0.000011665 0.000015924 0.000007207 -0.000003033 0.000017282 0.000006529 0.000012910 -0.000001808 -0.000001153 -0.000001471 0.000000929 0.000000370 0.000001635 -0.000000461 -0.000000699 0.000001954 -0.000000814 0.000000485 0.000002132 -0.000001796 0.000003473 -0.000000208 0.000003590 -0.000000026 0.000000199 0.000000243 0.000000502 0.000003387 0.000001237 -0.000000371 0.000003159 -0.000001041 0.000001447 0.000003001 -0.000000050 0.000001973 0.000002845 0.000005028 0.000003483 0.000003261 -0.000002945 0.000007152 -0.000005068 0.000001209 0.000000013 -0.000001802 -0.000000735 -0.000000149 0.000000138 0.000001091 0.000000297 0.000000925 0.000001301 0.000001662 -0.000000503 -0.000002947 0.000000153 -0.000001136 0.000000184 -0.000000764 -0.000002230 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-PALADIO PAULAPLA Optimization cyproconazole_RS CONF4 gas EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization cyproconazole_RS CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RS/gas/CONF4/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7594 1.4263 0.9731 1.3596 1.4581 1.3487 1.3247 1.3219 1.3575 1.504 1.5119 1.52 1.0861 1.5101 1.0819 1.0838 1.0837 1.0851 1.5645 1.5362 1.0969 1.5517 1.5331 1.0921 1.0928 1.0931 1.0919 1.0876 1.3976 1.3992 1.3921 1.0817 1.3928 1.083 1.3906 1.0826 1.3901 1.0824 1.079 1.079 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 107.971 121.1318 109.0359 129.7099 102.8702 102.8371 121.7357 116.1415 119.2969 115.5966 113.7573 116.9895 118.0057 118.3631 118.3394 114.431 118.3533 117.6569 118.7066 117.7185 114.1957 111.6896 109.1057 107.813 114.9304 104.3581 108.5905 104.7804 107.7527 110.9081 109.7848 112.0995 111.2405 108.9612 111.3197 113.2606 107.3634 107.2317 108.4614 112.3033 108.963 106.5002 108.0319 112.3175 108.634 119.5957 122.2953 118.0893 121.3031 118.825 119.8717 121.4185 120.7055 117.8759 119.2704 120.6729 120.0566 119.0915 120.7613 120.1469 110.6031 122.9153 126.4815 119.6588 119.514 120.8271 114.6503 121.7481 123.6013 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 36 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 16 -163.9438 -47.0687 74.9041 176.6386 0.2902 -54.7356 64.9159 -178.0738 120.7758 -119.5727 -2.5624 -0.583 179.5325 -176.5193 3.5962 0.0864 179.876 0.5914 -179.5292 -0.4238 179.7911 -0.8903 -143.694 145.3327 2.529 139.6278 -4.3319 -1.7256 -145.6853 78.5707 -153.2698 -35.5157 149.5948 -82.2457 35.5083 -68.3841 59.7754 177.5295 -145.5447 -0.8976 0.063 144.7102 -64.0385 -179.5084 56.3249 170.9789 55.5091 -68.6577 52.1705 -63.2993 172.5339 54.5049 -63.7129 173.7555 -179.1729 62.6094 -59.9223 -62.7583 179.024 56.4924 67.4109 -52.7818 -172.5744 -179.0209 60.7864 -59.0062 -54.3559 -174.5487 65.6587 19.5725 -162.0756 -97.1629 81.1889 139.4852 -42.163 178.4884 -1.3273 0.0675 -179.7481 -178.5185 1.3666 -0.1429 179.7422 0.0366 179.9508 179.8503 -0.2355 0.1123 -179.6585 -179.776 0.4532 179.8088 -0.0695 -0.1059 -179.9842 -179.8821 -0.0036 -0.1098 179.7686 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00171 0.00214 0.00336 0.00482 0.00608 0.00831 0.00984 0.01502 0.01696 0.01725 0.01731 0.01773 0.01843 0.02144 0.02195 0.02283 0.02347 0.02560 0.02621 0.02826 0.02952 0.02967 0.03192 0.03333 0.03671 0.03811 0.04372 0.04414 0.04564 0.04669 0.04844 0.05372 0.05776 0.05843 0.05992 0.06525 0.06994 0.07215 0.07636 0.08140 0.08553 0.08682 0.10887 0.11311 0.11626 0.11645 0.11889 0.12032 0.12564 0.12765 0.14098 0.14678 0.15146 0.15934 0.16447 0.17445 0.18060 0.18314 0.18583 0.19036 0.19799 0.20032 0.21299 0.22357 0.23134 0.23575 0.24223 0.25239 0.25549 0.25673 0.26154 0.26889 0.28158 0.29186 0.29551 0.30169 0.31242 0.31986 0.33182 0.33299 0.33541 0.33817 0.34350 0.34671 0.34853 0.35088 0.35246 0.35329 0.35416 0.35924 0.36048 0.36122 0.36163 0.36692 0.36878 0.37089 0.37956 0.40576 0.41346 0.42401 0.42770 0.46400 0.46603 0.47872 0.49668 0.50574 0.52151 0.60151 Angle between quadratic step and forces= 73.97 degrees. 1 2 0.00018670 0.00000002 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 3.32480 2.69540 1.83887 2.56926 2.75541 2.54860 2.50340 2.49800 2.56524 2.84206 2.85712 2.87244 2.05243 2.85369 2.04452 2.04806 2.04780 2.05063 2.95645 2.90296 2.07285 2.93235 2.89719 2.06374 2.06502 2.06557 2.06334 2.05525 2.64102 2.64403 2.63060 2.04408 2.63207 2.04660 2.62780 2.04582 2.62689 2.04552 2.03899 2.03908 1.88445 2.11415 1.90303 2.26386 1.79542 1.79485 2.12469 2.02705 2.08212 2.01754 1.98544 2.04185 2.05959 2.06583 2.06541 1.99720 2.06566 2.05350 2.07182 2.05458 1.99309 1.94935 1.90425 1.88169 2.00591 1.82139 1.89526 1.82876 1.88064 1.93571 1.91611 1.95651 1.94151 1.90173 1.94290 1.97677 1.87385 1.87155 1.89301 1.96006 1.90176 1.85878 1.88551 1.96031 1.89602 2.08734 2.13445 2.06105 2.11714 2.07389 2.09216 2.11915 2.10671 2.05732 2.08166 2.10614 2.09538 2.07854 2.10768 2.09696 1.93039 2.14528 2.20752 2.08844 2.08591 2.10883 2.00102 2.12490 2.15725 -2.86136 -0.82150 1.30732 3.08293 0.00506 -0.95532 1.13300 -3.10797 2.10794 -2.08694 -0.04472 -0.01017 3.13343 -3.08084 0.06277 0.00151 3.13943 0.01032 -3.13338 -0.00740 3.13795 -0.01554 -2.50793 2.53653 0.04414 2.43697 -0.07561 -0.03012 -2.54269 1.37132 -2.67506 -0.61987 2.61092 -1.43546 0.61974 -1.19353 1.04328 3.09847 -2.54023 -0.01567 0.00110 2.52567 -1.11768 -3.13301 0.98306 2.98415 0.96882 -1.19830 0.91055 -1.10478 3.01129 0.95129 -1.11200 3.03261 -3.12716 1.09274 -1.04584 -1.09534 3.12456 0.98598 1.17654 -0.92122 -3.01199 -3.12450 1.06092 -1.02985 -0.94869 -3.04645 1.14596 0.34161 -2.82875 -1.69581 1.41701 2.43448 -0.73588 3.11521 -0.02317 0.00118 -3.13720 -3.11574 0.02385 -0.00249 3.13709 0.00064 3.14073 3.13898 -0.00411 0.00196 -3.13563 -3.13768 0.00791 3.13826 -0.00121 -0.00185 -3.14132 -3.13953 -0.00006 -0.00192 3.13755 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 0.00001 0.00002 -0.00001 -0.00001 -0.00003 -0.00002 -0.00000 -0.00001 -0.00003 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00005 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00002 0.00002 0.00001 0.00000 0.00000 -0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00006 0.00001 0.00007 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00002 -0.00000 -0.00000 -0.00002 0.00002 0.00000 0.00003 -0.00005 0.00004 -0.00005 0.00003 -0.00002 0.00003 -0.00002 0.00001 0.00002 -0.00002 -0.00002 0.00000 -0.00002 0.00001 0.00000 0.00002 0.00001 0.00002 0.00002 -0.00002 -0.00002 -0.00003 -0.00001 -0.00002 0.00002 0.00002 0.00003 -0.00006 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00001 0.00002 -0.00002 0.00000 0.00002 -0.00000 0.00002 -0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00000 -0.00001 0.00002 0.00002 0.00004 0.00029 0.00007 -0.00008 -0.00007 -0.00014 0.00019 0.00020 0.00013 -0.00002 -0.00009 -0.00026 -0.00033 -0.00011 0.00001 -0.00005 0.00003 0.00010 -0.00003 -0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00005 -0.00005 -0.00006 0.00018 0.00020 0.00018 0.00017 0.00020 0.00017 0.00018 0.00021 0.00018 0.00002 0.00004 0.00002 0.00005 0.00019 0.00019 0.00015 0.00016 0.00016 0.00013 0.00016 0.00016 0.00013 0.00026 0.00026 0.00026 0.00027 0.00026 0.00027 0.00028 0.00028 0.00028 0.00009 0.00010 0.00014 0.00008 0.00009 0.00013 0.00010 0.00011 0.00015 -0.00006 -0.00004 -0.00003 -0.00001 -0.00006 -0.00004 0.00002 0.00000 0.00000 -0.00002 -0.00003 -0.00005 -0.00001 -0.00003 0.00000 -0.00001 0.00002 0.00002 0.00000 -0.00000 0.00002 0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00005 0.00001 0.00002 -0.00001 -0.00001 -0.00003 -0.00002 -0.00000 -0.00001 -0.00003 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00005 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00002 0.00002 0.00001 0.00000 0.00000 -0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00006 0.00001 0.00007 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00002 -0.00000 -0.00000 -0.00002 0.00002 0.00000 0.00003 -0.00005 0.00004 -0.00005 0.00003 -0.00002 0.00003 -0.00002 0.00001 0.00002 -0.00002 -0.00002 0.00000 -0.00002 0.00001 0.00000 0.00002 0.00001 0.00002 0.00002 -0.00002 -0.00002 -0.00003 -0.00001 -0.00002 0.00002 0.00002 0.00003 -0.00006 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00002 -0.00001 0.00002 -0.00002 0.00000 0.00002 -0.00000 0.00002 -0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00000 -0.00001 0.00002 0.00002 0.00004 0.00029 0.00007 -0.00008 -0.00007 -0.00014 0.00019 0.00020 0.00013 -0.00002 -0.00009 -0.00026 -0.00033 -0.00011 0.00001 -0.00005 0.00003 0.00010 -0.00003 -0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00005 -0.00005 -0.00006 0.00018 0.00020 0.00018 0.00017 0.00020 0.00017 0.00018 0.00021 0.00018 0.00002 0.00004 0.00002 0.00005 0.00019 0.00019 0.00015 0.00016 0.00016 0.00013 0.00016 0.00016 0.00013 0.00026 0.00026 0.00026 0.00027 0.00026 0.00027 0.00028 0.00028 0.00028 0.00009 0.00010 0.00014 0.00008 0.00009 0.00013 0.00010 0.00011 0.00015 -0.00006 -0.00004 -0.00003 -0.00001 -0.00006 -0.00004 0.00002 0.00000 0.00000 -0.00002 -0.00003 -0.00005 -0.00001 -0.00003 0.00000 -0.00001 0.00002 0.00002 0.00000 -0.00000 0.00002 0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 3.32485 2.69540 1.83889 2.56925 2.75540 2.54857 2.50338 2.49800 2.56523 2.84203 2.85711 2.87243 2.05243 2.85368 2.04453 2.04806 2.04780 2.05063 2.95640 2.90296 2.07286 2.93235 2.89719 2.06374 2.06502 2.06558 2.06334 2.05526 2.64100 2.64405 2.63062 2.04409 2.63208 2.04660 2.62778 2.04581 2.62689 2.04551 2.03899 2.03908 1.88445 2.11408 1.90304 2.26394 1.79542 1.79484 2.12468 2.02704 2.08210 2.01755 1.98546 2.04185 2.05959 2.06581 2.06543 1.99720 2.06568 2.05345 2.07186 2.05452 1.99312 1.94933 1.90428 1.88167 2.00593 1.82141 1.89524 1.82875 1.88064 1.93570 1.91612 1.95651 1.94153 1.90175 1.94292 1.97679 1.87383 1.87153 1.89298 1.96005 1.90175 1.85880 1.88553 1.96034 1.89596 2.08734 2.13446 2.06104 2.11715 2.07389 2.09215 2.11916 2.10670 2.05732 2.08165 2.10613 2.09541 2.07852 2.10768 2.09697 1.93039 2.14530 2.20750 2.08843 2.08590 2.10886 2.00103 2.12491 2.15724 -2.86134 -0.82148 1.30736 3.08322 0.00514 -0.95540 1.13292 -3.10811 2.10812 -2.08674 -0.04459 -0.01019 3.13334 -3.08110 0.06244 0.00140 3.13944 0.01028 -3.13335 -0.00730 3.13792 -0.01554 -2.50793 2.53654 0.04414 2.43693 -0.07565 -0.03017 -2.54275 1.37149 -2.67486 -0.61969 2.61109 -1.43526 0.61991 -1.19334 1.04349 3.09866 -2.54022 -0.01562 0.00112 2.52571 -1.11750 -3.13283 0.98321 2.98430 0.96897 -1.19818 0.91071 -1.10462 3.01142 0.95155 -1.11174 3.03287 -3.12689 1.09300 -1.04558 -1.09505 3.12484 0.98626 1.17663 -0.92111 -3.01185 -3.12443 1.06101 -1.02973 -0.94859 -3.04634 1.14611 0.34154 -2.82879 -1.69584 1.41701 2.43442 -0.73592 3.11523 -0.02316 0.00118 -3.13721 -3.11576 0.02380 -0.00250 3.13707 0.00064 3.14073 3.13900 -0.00409 0.00196 -3.13564 -3.13766 0.00793 3.13825 -0.00122 -0.00185 -3.14132 -3.13953 -0.00006 -0.00191 3.13757 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000003 0.000854 0.000187 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.240342e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 2 2 3 3 3 4 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 20 19 10 32 4 12 18 20 18 20 7 8 9 21 8 22 23 24 25 10 11 26 12 13 27 28 29 30 31 14 15 16 33 17 34 19 35 19 36 37 38 1.7594 1.4263 0.9731 1.3596 1.4581 1.3487 1.3247 1.3219 1.3575 1.504 1.5119 1.52 1.0861 1.5101 1.0819 1.0838 1.0837 1.0851 1.5645 1.5362 1.0969 1.5517 1.5331 1.0921 1.0928 1.0931 1.0919 1.0876 1.3976 1.3992 1.3921 1.0817 1.3928 1.083 1.3906 1.0826 1.3901 1.0824 1.079 1.079 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 10 4 4 12 3 18 7 7 8 8 9 6 6 8 8 22 6 6 7 7 24 6 6 6 10 10 11 2 2 2 9 9 12 9 9 9 27 27 28 3 3 3 10 10 30 10 10 14 13 13 16 13 13 17 14 14 19 15 15 19 3 3 5 1 1 16 4 4 5 2 3 3 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 32 12 18 18 20 20 9 21 9 21 21 22 23 22 23 23 24 25 24 25 25 10 11 26 11 26 26 9 12 13 12 13 13 27 28 29 28 29 29 10 30 31 30 31 31 14 15 15 16 33 33 17 34 34 19 35 35 19 36 36 5 37 37 16 17 17 5 38 38 107.971 121.1318 109.0359 129.7099 102.8702 102.8371 121.7357 116.1415 119.2969 115.5966 113.7573 116.9895 118.0057 118.3631 118.3394 114.431 118.3533 117.6569 118.7066 117.7185 114.1957 111.6896 109.1057 107.813 114.9304 104.3581 108.5905 104.7804 107.7527 110.9081 109.7848 112.0995 111.2405 108.9612 111.3197 113.2606 107.3634 107.2317 108.4614 112.3033 108.963 106.5002 108.0319 112.3175 108.634 119.5957 122.2953 118.0893 121.3031 118.825 119.8717 121.4185 120.7055 117.8759 119.2704 120.6729 120.0566 119.0915 120.7613 120.1469 110.6031 122.9153 126.4815 119.6588 119.514 120.8271 114.6503 121.7481 123.6013 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 32 32 32 12 18 4 4 4 18 18 18 4 4 12 12 3 3 20 20 18 18 9 9 21 21 9 9 21 21 7 7 7 8 8 8 21 21 21 22 22 23 23 6 6 6 11 11 11 26 26 26 6 6 6 10 10 10 26 26 26 2 2 2 9 9 9 13 13 13 2 2 9 9 12 12 10 10 15 15 10 10 14 14 13 13 33 33 13 13 34 34 14 14 35 35 15 15 36 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 10 10 10 4 4 12 12 12 12 12 12 18 18 18 18 20 20 18 18 20 20 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 19 19 19 9 12 13 20 20 10 30 31 10 30 31 5 37 5 37 5 38 3 37 4 38 22 23 22 23 24 25 24 25 10 11 26 10 11 26 10 11 26 24 25 24 25 2 12 13 2 12 13 2 12 13 27 28 29 27 28 29 27 28 29 3 30 31 3 30 31 3 30 31 14 15 14 15 14 15 16 33 16 33 17 34 17 34 19 35 19 35 19 36 19 36 1 17 1 17 1 16 1 -163.9438 -47.0687 74.9041 176.6386 0.2902 -54.7356 64.9159 -178.0738 120.7758 -119.5727 -2.5624 -0.583 179.5325 -176.5193 3.5962 0.0864 179.876 0.5914 -179.5292 -0.4238 179.7911 -0.8903 -143.694 145.3327 2.529 139.6278 -4.3319 -1.7256 -145.6853 78.5707 -153.2698 -35.5157 149.5948 -82.2457 35.5083 -68.3841 59.7754 177.5295 -145.5447 -0.8976 0.063 144.7102 -64.0385 -179.5084 56.3249 170.9789 55.5091 -68.6577 52.1705 -63.2993 172.5339 54.5049 -63.7129 173.7555 -179.1729 62.6094 -59.9223 -62.7583 179.024 56.4924 67.4109 -52.7818 -172.5744 -179.0209 60.7864 -59.0062 -54.3559 -174.5487 65.6587 19.5725 -162.0756 -97.1629 81.1889 139.4852 -42.163 178.4884 -1.3273 0.0675 -179.7481 -178.5185 1.3666 -0.1429 179.7422 0.0366 179.9508 179.8503 -0.2355 0.1123 -179.6585 -179.776 0.4532 179.8088 -0.0695 -0.1059 -179.9842 -179.8821 -0.0036 -0.1098 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.1045625359 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457484861 0.000000 6.718914 0.000000 6.660419 2.951091 0.000000 6.947125 2.805155 1.359596 0.000000 6.786387 4.819478 2.195666 2.257811 0.000000 6.622527 2.896942 5.049831 5.443085 7.036658 0.000000 7.433295 3.027950 5.755219 5.824141 7.708594 1.503954 0.000000 7.932469 4.009948 6.348033 6.694891 8.416226 1.511923 1.510106 0.000000 6.816337 2.370791 3.860018 4.475919 5.965735 1.520032 2.641462 2.616403 0.000000 6.090102 1.426343 2.500255 3.008036 4.517934 2.552623 3.370548 3.900364 1.564488 0.000000 6.947403 3.777928 4.403907 5.353590 6.394643 2.489765 3.870117 3.310817 1.536182 2.614111 0.000000 6.837951 2.406667 1.458099 2.454469 3.619000 3.909201 4.751310 5.112684 2.549309 1.551734 3.043272 0.000000 4.557544 2.438384 2.948468 3.434439 4.427422 3.015662 3.957666 4.525751 2.569601 1.533127 3.208652 2.545998 0.000000 4.022372 2.768883 3.901928 3.956426 5.059566 3.334405 3.882428 4.755698 3.453152 2.533787 4.321256 3.741678 1.397566 0.000000 4.020110 3.735687 3.284668 4.101507 4.397261 3.922003 5.107772 5.392235 3.347752 2.569104 3.352986 3.006077 1.399161 2.398385 0.000000 2.729563 4.151031 4.874424 4.940945 5.597655 4.396128 4.972791 5.758180 4.659553 3.826866 5.282781 4.892815 2.431589 1.392054 2.779984 0.000000 2.727191 4.856491 4.392630 5.059369 5.001911 4.862823 5.988188 6.300507 4.583535 3.852440 4.520795 4.352914 2.435035 2.783620 1.392834 2.418096 0.000000 6.558145 4.231513 1.348660 2.205334 1.321885 6.124814 6.959872 7.483763 4.934161 3.622441 5.189590 2.541201 3.662056 4.599437 3.518845 5.277859 4.360671 0.000000 1.759407 5.009067 5.067723 5.410953 5.562718 5.049821 5.918863 6.449512 5.113072 4.330754 5.354739 5.127543 2.798141 2.400920 2.398974 1.390574 1.390088 5.164990 0.000000 6.986548 4.055808 2.099002 1.324740 1.357467 6.616979 7.043585 7.933377 5.667889 4.154137 6.408563 3.499259 4.243289 4.652755 4.633394 5.356130 5.339289 2.094627 5.658578 0.000000 5.735751 3.442516 5.327093 5.765942 7.136879 1.086099 2.209264 2.210068 2.195516 2.909806 2.774166 4.318678 2.792978 2.929853 3.503866 3.720355 4.193529 6.250548 4.274555 6.817753 0.000000 8.034777 2.626893 5.471436 5.390562 7.440040 2.215697 1.081916 2.236798 2.813814 3.328065 4.215489 4.532808 4.215385 4.210054 5.470589 5.438396 6.473126 6.760749 6.446872 6.654654 3.089403 0.000000 7.190470 3.593619 6.372373 6.316858 8.172792 2.228722 1.083787 2.238038 3.534141 4.038701 4.714837 5.518135 4.304150 3.872640 5.464925 4.762145 6.139293 7.530822 5.827245 7.455659 2.491812 1.820734 0.000000 8.041387 4.955691 7.258594 7.632957 9.274228 2.239728 2.242041 1.083650 3.502547 4.775138 3.932012 6.037103 5.162868 5.265437 5.908312 6.074911 6.646524 8.333855 6.711327 8.833629 2.496090 3.126804 2.545079 0.000000 8.810970 4.303876 6.487029 6.886436 8.639841 2.233060 2.232119 1.085145 2.784697 4.196544 3.336299 5.159422 5.095267 5.519921 5.924064 6.620842 6.966165 7.652025 7.262358 8.169778 3.100477 2.528869 3.118650 1.820920 0.000000 7.851240 2.464803 4.076804 4.582903 6.264340 2.129274 2.749002 2.706211 1.096904 2.121777 2.153474 2.728493 3.458946 4.289275 4.307728 5.583973 5.600185 5.261016 6.126451 5.857083 3.067825 2.562537 3.785605 3.732406 2.490929 0.000000 7.704415 4.519795 5.435380 6.338333 7.465218 2.666871 3.927505 2.970153 2.154697 3.537613 1.092082 4.029315 4.169684 5.143489 4.347194 6.075267 5.414313 6.253975 6.181803 7.442077 3.021182 4.351097 4.792940 3.441481 2.817518 2.487054 0.000000 6.076898 4.195904 4.609597 5.602880 6.388790 2.777402 4.274303 3.773249 2.185090 2.905771 1.092760 3.443039 2.939440 4.006797 2.737514 4.726057 3.704749 5.206063 4.590514 6.525796 2.619302 4.795851 4.936144 4.192342 4.045166 3.073514 1.760413 0.000000 7.457186 4.123559 4.091853 5.193893 6.030424 3.466558 4.750954 4.250895 2.209264 2.914767 1.093055 2.746957 3.649187 4.927495 3.611830 5.903548 4.852337 4.754561 5.860996 6.180918 3.817017 4.918657 5.655068 4.938276 4.093186 2.511496 1.759162 1.773520 0.000000 7.886955 2.573130 2.086369 2.780496 4.192076 4.164453 4.807329 5.126272 2.757913 2.156150 3.347805 1.091870 3.471670 4.561128 4.060913 5.810109 5.424325 3.217689 6.158380 3.917526 4.800623 4.391872 5.683124 6.133563 4.966823 2.483261 4.154575 4.020962 2.943610 0.000000 6.817709 3.365474 2.051757 3.311821 3.902247 4.228684 5.313451 5.409655 2.806341 2.207366 2.705076 1.087590 2.867105 4.224637 2.833133 5.214365 4.159487 2.629070 5.176019 4.134777 4.517658 5.245291 6.107635 6.247494 5.419245 3.119461 3.710881 2.982896 2.142386 1.770283 0.000000 6.759270 0.973087 2.487172 1.974170 4.105309 3.840659 3.942717 4.981200 3.217891 1.959035 4.503607 2.452771 2.717926 2.972124 3.923585 4.257484 4.975142 3.729438 5.097709 3.192477 4.290297 3.472282 4.406159 5.918386 5.257146 3.287347 5.334784 4.861436 4.697847 2.649742 3.501497 0.000000 4.876028 2.376710 4.221064 3.996343 5.478562 3.225215 3.339182 4.485713 3.541956 2.703999 4.704453 4.029888 2.140312 1.081681 3.377368 2.146570 3.865294 5.115214 3.382677 4.813882 3.040214 3.533263 3.215324 5.046929 5.252313 4.184075 5.429546 4.594398 5.357998 4.648787 4.713615 2.611942 0.000000 4.854041 4.134819 3.174311 4.272233 4.352951 4.266380 5.572140 5.647601 3.387867 2.795325 3.008805 2.754203 2.162888 3.390675 1.083014 3.862656 2.126850 3.261111 3.368807 4.796609 3.994968 5.877957 6.089265 6.205620 6.011832 4.250552 4.024990 2.438748 2.976387 3.766193 2.206805 4.330276 4.286390 0.000000 2.865214 4.767464 5.745961 5.619683 6.340193 5.007793 5.331795 6.242847 5.478806 4.689135 6.213165 5.826923 3.412925 2.155788 3.862573 1.082599 3.396581 6.170458 2.147959 5.975243 4.319199 5.803221 4.909800 6.473488 7.174585 6.350096 6.937799 5.684148 6.895618 6.685978 6.233314 4.838478 2.483081 4.945178 0.000000 2.862984 5.829179 5.007274 5.800682 5.381933 5.722342 6.940102 7.111905 5.363673 4.724972 5.036025 5.008324 3.416442 3.866046 2.157287 3.397121 1.082441 4.729773 2.148345 5.945230 5.030484 7.451589 7.122601 7.403938 7.733148 6.374805 5.888720 4.129222 5.244042 6.082337 4.615883 5.927584 4.947725 2.452997 4.287154 0.000000 6.600589 4.901805 2.136491 3.233797 2.146542 6.378547 7.391149 7.723421 5.128816 4.025626 5.058748 2.875376 3.977804 5.067833 3.477154 5.642287 4.258689 1.078988 5.286719 3.151367 6.437132 7.292719 8.006740 8.518162 7.860727 5.523352 6.100969 4.978867 4.500744 3.589191 2.524964 4.555938 5.726293 2.938385 6.611358 4.404003 0.000000 7.427050 4.654663 3.138581 2.103224 2.151337 7.345205 7.608565 8.628518 6.513601 4.989113 7.370099 4.483226 5.031492 5.201280 5.512377 5.812812 6.094890 3.136941 6.224484 1.079033 7.544376 7.160495 7.926321 9.524905 8.896406 6.664163 8.386608 7.491139 7.197137 4.818204 5.187102 3.712979 5.227769 5.782324 6.270595 6.725468 4.164405 0.000000 C15H18ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3189524 0.2776801 0.1780916 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 556 RedAO= T EigKep= 1.07D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 8.88D-07 NBFU= 554 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.35666367998 -1282.35666367991 0.000000000070 -1282.35666368 2 1.277730091742e+03 -6.431735257681e+03 2.158589688209e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953844707 LenY= 4953512355 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11745 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4954521600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 850000000 NMat= 114 IRICut= 285 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 114 NMatS0= 114 NMatT0= 0 NMatD0= 114 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 84.11% of shell-pairs survive, threshold= 0.20 IRatSp=84. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 3.67D-14 1.00D-09 XBig12= 2.17D+02 6.05D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 3.67D-14 1.00D-09 XBig12= 5.82D+01 1.13D+00. 114 vectors produced by pass 2 Test12= 3.67D-14 1.00D-09 XBig12= 5.44D-01 5.60D-02. 114 vectors produced by pass 3 Test12= 3.67D-14 1.00D-09 XBig12= 3.10D-03 3.92D-03. 114 vectors produced by pass 4 Test12= 3.67D-14 1.00D-09 XBig12= 6.87D-06 1.89D-04. 107 vectors produced by pass 5 Test12= 3.67D-14 1.00D-09 XBig12= 1.16D-08 7.04D-06. 39 vectors produced by pass 6 Test12= 3.67D-14 1.00D-09 XBig12= 1.48D-11 2.57D-07. 3 vectors produced by pass 7 Test12= 3.67D-14 1.00D-09 XBig12= 1.74D-14 1.38D-08. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 719 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 204.24 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 233.552 2.608 193.144 -1.650 4.528 186.031 338.092 14.416 264.732 -11.704 11.053 323.354 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT135391.500S Fri Jul 9 15:07:17 2021 8.85735995e-01 -3.82663532e-02 9.08501852e-01 2.33552322e+02 2.60766012e+00 1.93143852e+02 -1.64986149e+00 4.52837177e+00 1.86030975e+02 -4.4582 -3.7474 -0.0006 0.0014 0.0015 3.2197 28.6290 34.0404 39.6257 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.6270 34.0378 39.6220 68.1165 68.3839 88.5741 127.1107 144.9684 165.5142 192.0826 201.0762 252.6814 269.9008 288.0179 303.8578 327.8957 335.1053 342.4421 375.9389 384.1983 425.0970 445.5159 487.2245 507.6310 543.0662 603.4763 632.2738 640.3149 649.9589 663.9866 690.4879 742.2392 746.7149 767.1433 789.0760 831.4481 833.4370 840.7508 852.0281 854.2376 895.7712 902.8477 932.7715 939.0889 960.8689 974.7693 981.9517 998.3526 1014.8330 1025.3343 1033.4841 1044.8201 1050.3721 1064.6016 1069.7747 1103.4662 1119.6744 1124.7553 1136.2968 1150.5556 1168.4026 1191.6361 1194.3972 1214.3972 1218.6241 1230.6553 1233.2979 1240.9644 1309.0104 1314.9381 1319.7415 1328.8305 1331.2142 1355.9067 1374.2730 1382.0690 1416.0541 1427.7422 1428.7129 1432.7741 1472.4349 1473.3428 1490.0861 1505.0862 1511.6800 1515.4101 1521.8115 1538.2354 1608.8494 1634.4708 3013.7825 3030.2881 3069.7712 3091.9950 3100.6976 3109.3702 3125.0620 3130.5520 3140.7830 3177.4497 3190.4971 3191.5841 3199.3401 3209.6108 3216.9906 3247.2538 3251.6625 3626.2285 6.1216 4.5705 4.6816 5.0407 3.8201 4.2658 3.2097 4.6955 5.9250 6.0101 3.1230 1.7929 2.2017 2.9929 7.0896 4.9031 3.3178 4.7963 3.4370 3.1594 2.9856 2.8377 4.9046 3.1150 3.2952 3.4869 1.6509 2.8446 2.8947 3.7584 3.4694 3.3535 3.1258 4.3204 1.5071 1.5461 1.4818 1.3478 1.3888 1.4306 2.4960 1.4146 3.2619 2.7208 1.4782 5.3777 1.7107 1.3683 1.6081 3.9442 4.1577 1.7859 1.8204 3.6206 1.3414 3.3831 1.9860 2.3630 1.1430 1.5229 1.8165 1.8258 1.6865 1.7214 1.3105 1.8539 1.9337 2.6970 2.5765 4.6245 1.8125 1.5984 1.3144 2.1086 1.5220 2.2406 1.2539 1.8931 1.7511 1.4454 1.1054 3.2387 1.1341 1.0610 1.1367 1.2651 2.1995 3.5084 6.8086 5.5747 1.0834 1.0361 1.0650 1.1005 1.1011 1.0536 1.0675 1.0778 1.0998 1.0875 1.1178 1.0896 1.0943 1.0935 1.1154 1.0962 1.1010 1.0672 0.0030 0.0031 0.0043 0.0138 0.0105 0.0197 0.0306 0.0581 0.0956 0.1307 0.0744 0.0674 0.0945 0.1463 0.3857 0.3106 0.2195 0.3314 0.2862 0.2748 0.3179 0.3319 0.6860 0.4729 0.5726 0.7482 0.3888 0.6872 0.7205 0.9763 0.9746 1.0885 1.0269 1.4981 0.5529 0.6297 0.6064 0.5613 0.5940 0.6151 1.1800 0.6794 1.6721 1.4137 0.8041 3.0106 0.9718 0.8035 0.9758 2.4431 2.6165 1.1487 1.1833 2.4177 0.9044 2.4270 1.4669 1.7613 0.8695 1.1878 1.4611 1.5275 1.4175 1.4957 1.1466 1.6543 1.7329 2.4471 2.6012 4.7111 1.8599 1.6629 1.3724 2.2840 1.6936 2.5216 1.4814 2.2736 2.1060 1.7483 1.4121 4.1422 1.4836 1.4161 1.5305 1.7117 3.0012 4.8911 10.3834 8.7746 5.7977 5.6057 5.9131 6.1992 6.2372 6.0019 6.1423 6.2232 6.3919 6.4690 6.7038 6.5391 6.5997 6.6370 6.8010 6.8105 6.8591 8.2684 0.0478 0.0303 0.3082 0.0319 0.1830 1.5363 0.3226 0.9538 0.8615 0.4680 0.2741 0.4281 1.0488 0.4245 0.1693 0.4125 4.2223 0.8624 1.7047 4.4235 0.5240 0.7235 13.4307 12.5959 6.1163 11.3791 52.6203 38.5926 27.4240 19.3538 34.7103 8.0445 4.8207 15.4354 2.2676 5.0571 36.9121 7.0727 13.6058 14.1912 13.9640 7.4840 2.9575 9.5469 2.9841 10.6555 3.4482 0.4942 1.0297 26.2629 27.7391 3.5744 36.0645 25.5561 6.3613 55.4076 9.1099 2.4573 2.9946 2.5476 33.3365 5.6823 6.5483 9.4627 1.0686 7.1521 5.3431 2.9769 40.5311 9.1481 5.3765 3.0902 1.0314 11.6861 16.4572 22.4573 17.5463 8.4734 25.1957 28.7190 3.5520 26.0946 14.8553 11.3204 2.0207 0.4390 54.0559 66.9321 0.6163 15.1230 15.7053 22.3802 17.8243 35.6674 24.9139 24.1501 15.3503 8.6148 6.3230 10.2702 8.2155 0.7194 3.7268 1.0553 11.6362 2.1783 1.3877 307.8077 -0.10 0.20 0.01 0.01 -0.05 -0.01 -0.02 -0.06 -0.01 -0.08 -0.11 -0.02 -0.09 -0.17 0.01 0.14 0.03 -0.06 0.28 0.12 0.00 0.16 0.07 0.04 0.04 -0.02 0.00 0.03 -0.04 -0.01 -0.03 -0.10 -0.02 0.02 -0.02 -0.03 0.02 -0.03 0.01 -0.01 -0.02 0.01 0.03 -0.01 0.02 -0.04 0.04 0.02 -0.00 0.06 0.02 -0.03 -0.10 0.00 -0.04 0.09 0.01 -0.12 -0.16 -0.01 0.14 -0.00 -0.19 0.31 0.16 0.10 0.38 0.16 -0.08 0.18 0.06 -0.02 0.11 0.06 0.16 0.02 0.04 0.08 0.00 -0.04 0.00 -0.00 -0.19 -0.10 -0.15 -0.13 0.03 0.00 -0.00 -0.07 0.06 -0.01 -0.02 -0.01 -0.07 -0.02 -0.01 -0.04 0.01 0.06 -0.02 0.02 -0.07 0.06 0.01 -0.00 0.09 0.02 0.00 -0.08 0.01 -0.17 -0.21 -0.01 -0.01 -0.09 0.04 -0.05 -0.04 -0.02 0.02 0.02 -0.01 -0.01 -0.02 -0.02 0.13 0.20 0.04 0.04 0.02 -0.08 0.19 0.12 -0.01 0.06 0.05 0.02 -0.06 -0.03 -0.00 -0.05 -0.02 -0.02 -0.16 -0.13 -0.03 -0.01 -0.02 -0.02 -0.05 -0.01 -0.01 -0.01 -0.10 0.02 -0.08 0.07 -0.03 0.00 -0.12 0.04 -0.08 0.05 -0.02 0.11 0.15 0.03 -0.03 -0.05 0.02 0.06 0.09 0.01 0.03 -0.01 -0.22 0.22 0.16 0.09 0.28 0.16 -0.11 0.07 0.04 -0.05 0.01 0.04 0.15 -0.06 0.01 0.10 -0.16 -0.11 -0.00 -0.16 -0.18 -0.13 -0.25 -0.16 0.03 0.01 -0.05 -0.03 -0.00 -0.01 -0.02 -0.05 -0.04 -0.03 0.01 -0.15 0.04 -0.12 0.13 -0.06 0.03 -0.19 0.06 -0.10 0.10 -0.04 0.16 0.21 0.04 0.05 0.09 0.02 -0.02 -0.03 0.06 -0.03 0.00 0.03 0.01 0.01 -0.01 0.21 0.17 0.02 -0.02 -0.06 -0.16 0.02 0.02 -0.05 0.08 0.09 -0.02 0.02 0.03 -0.02 -0.03 -0.01 0.01 -0.03 -0.01 0.02 -0.04 -0.08 -0.00 -0.04 -0.02 0.04 -0.03 -0.01 0.02 -0.08 0.08 -0.01 0.02 -0.09 0.06 -0.08 0.08 0.00 0.02 -0.10 0.07 -0.13 -0.13 -0.12 -0.03 -0.02 0.04 0.19 0.12 -0.07 0.01 0.01 -0.13 0.10 0.12 0.04 0.12 0.13 -0.08 0.02 0.03 -0.07 0.00 0.02 0.05 -0.03 0.01 0.05 0.00 -0.03 -0.01 -0.00 -0.17 -0.05 -0.13 -0.10 0.03 -0.03 -0.03 0.10 -0.10 -0.03 0.03 0.06 0.08 0.06 -0.12 0.15 -0.03 0.06 -0.16 0.08 -0.12 0.14 -0.02 0.07 -0.18 0.10 -0.30 -0.27 -0.16 0.32 0.22 -0.07 -0.09 0.06 -0.05 -0.06 -0.04 0.01 -0.07 -0.05 -0.02 -0.06 -0.07 -0.03 0.10 0.21 -0.01 0.09 0.01 0.06 -0.01 -0.01 0.01 0.13 0.10 -0.01 0.05 0.03 0.00 -0.03 -0.05 0.01 0.16 0.10 0.02 -0.09 -0.05 0.01 0.00 -0.12 0.03 -0.04 -0.03 0.00 0.04 -0.21 0.06 -0.06 0.01 -0.02 0.03 -0.18 0.04 0.03 0.13 -0.01 -0.03 -0.06 -0.00 0.04 0.08 -0.02 0.14 -0.05 0.16 -0.11 -0.00 -0.07 -0.02 -0.08 0.08 0.23 0.11 0.04 0.13 0.19 -0.11 0.01 0.08 -0.08 0.21 0.16 -0.00 0.20 0.07 0.11 0.15 0.14 -0.03 -0.09 -0.04 0.07 -0.14 -0.07 0.00 -0.08 -0.05 0.01 -0.07 0.03 -0.02 0.08 -0.28 0.09 -0.10 0.10 -0.05 0.06 -0.24 0.06 0.04 0.18 0.00 0.08 0.10 -0.02 0.05 -0.05 0.03 0.04 0.01 -0.01 0.00 0.01 -0.02 -0.09 -0.08 -0.04 0.02 0.05 0.02 -0.04 -0.00 -0.02 0.10 -0.02 0.06 -0.09 -0.10 0.12 -0.02 -0.01 -0.00 0.01 0.02 -0.02 -0.04 -0.03 -0.00 0.01 0.02 -0.03 -0.01 0.05 -0.04 -0.09 0.20 -0.08 0.07 -0.08 0.02 -0.09 0.19 -0.07 0.08 -0.11 0.03 0.06 0.09 0.02 0.01 0.02 -0.01 -0.07 -0.06 -0.01 -0.11 0.06 -0.13 0.22 -0.04 0.13 0.13 0.03 -0.01 -0.18 -0.10 0.10 -0.09 -0.17 0.24 -0.01 -0.03 0.02 -0.01 0.03 0.00 -0.01 -0.10 -0.03 -0.12 -0.04 0.01 0.01 0.02 -0.04 0.02 0.03 -0.02 0.02 -0.01 -0.03 -0.15 0.30 -0.13 0.13 -0.18 0.05 -0.15 0.30 -0.11 0.15 -0.23 0.08 0.14 0.17 0.04 -0.13 -0.12 -0.02 -0.03 0.01 0.02 -0.05 -0.02 -0.11 -0.02 -0.00 -0.01 0.00 0.17 0.03 -0.03 0.00 0.12 0.01 -0.02 0.00 0.16 -0.13 0.09 -0.01 -0.09 0.20 0.02 0.03 -0.08 -0.01 -0.01 -0.09 0.08 0.12 -0.06 -0.00 -0.01 -0.09 -0.00 -0.03 -0.06 -0.01 -0.06 -0.04 0.01 -0.00 -0.05 -0.01 -0.06 -0.02 0.00 0.01 -0.03 -0.04 -0.10 0.04 -0.01 -0.02 -0.01 -0.00 0.17 0.11 -0.04 0.03 -0.05 0.25 -0.17 0.09 0.21 -0.15 0.08 -0.08 -0.08 0.26 -0.04 -0.11 0.27 0.01 0.02 -0.15 0.07 0.11 -0.06 0.07 0.17 0.01 0.14 0.15 -0.12 -0.01 -0.00 -0.12 0.05 -0.03 -0.08 -0.03 -0.01 -0.09 -0.02 -0.08 -0.05 0.01 0.02 -0.07 -0.02 -0.08 -0.00 0.01 0.03 -0.03 -0.06 -0.25 0.02 0.01 0.30 0.16 0.00 -0.05 0.04 0.03 -0.06 -0.04 0.05 -0.00 -0.01 0.02 0.03 -0.00 0.02 -0.05 0.06 0.06 -0.05 0.10 -0.08 -0.06 0.03 0.17 0.16 0.00 -0.03 -0.02 0.03 -0.00 -0.03 -0.04 -0.10 0.01 0.03 0.05 -0.02 -0.06 -0.03 0.02 -0.06 -0.07 0.07 -0.07 -0.02 0.03 -0.05 -0.09 0.09 -0.06 -0.03 0.04 -0.04 0.05 -0.06 0.03 -0.05 0.05 -0.03 -0.00 0.00 0.05 0.17 -0.16 0.26 -0.28 -0.04 -0.12 -0.06 -0.21 0.16 0.38 0.18 0.10 0.13 0.36 -0.15 -0.03 -0.00 0.06 -0.11 0.03 0.08 -0.10 0.01 -0.00 -0.13 0.02 0.02 0.06 -0.05 -0.10 0.09 -0.00 -0.05 0.05 -0.06 -0.05 -0.09 0.08 -0.08 -0.00 0.02 -0.05 -0.11 0.12 -0.06 -0.01 0.03 -0.02 0.08 -0.10 0.03 -0.03 0.03 0.07 -0.03 -0.11 -0.06 -0.11 -0.01 0.00 0.11 0.04 0.05 0.09 -0.06 0.03 0.03 -0.09 -0.03 0.02 0.02 -0.05 0.10 0.02 -0.01 0.01 0.00 0.03 0.04 0.02 -0.06 -0.03 -0.00 0.03 0.22 0.12 -0.04 0.05 -0.02 0.06 -0.07 0.03 0.07 -0.08 0.06 0.05 -0.13 0.06 0.04 -0.08 0.08 0.01 -0.15 0.08 -0.01 0.08 0.02 0.01 -0.11 0.05 -0.01 0.04 -0.14 -0.02 -0.00 0.04 -0.09 0.13 0.03 0.03 0.14 0.04 -0.04 -0.01 0.00 0.01 -0.00 -0.02 0.09 0.00 0.04 -0.19 0.17 0.00 -0.12 0.17 0.28 0.14 0.47 0.15 -0.10 0.09 -0.08 0.08 0.03 -0.03 0.05 -0.10 0.02 0.05 -0.06 0.06 0.06 -0.15 0.06 0.05 -0.05 0.08 -0.00 -0.17 0.09 -0.02 0.09 0.08 0.02 0.01 -0.23 -0.05 0.04 -0.02 0.13 0.12 0.09 0.07 -0.18 -0.15 0.07 -0.04 -0.13 0.07 0.01 0.11 -0.07 0.05 -0.04 -0.02 0.05 -0.05 -0.02 0.05 -0.05 -0.01 0.05 -0.03 -0.01 0.03 -0.03 0.01 0.11 -0.02 -0.01 -0.16 -0.10 0.13 0.03 -0.02 -0.10 -0.00 0.01 -0.10 -0.01 0.09 -0.12 -0.05 0.07 -0.09 -0.04 0.18 -0.11 -0.15 0.01 -0.01 -0.04 0.11 -0.07 0.07 0.02 -0.02 0.05 -0.04 -0.01 0.05 -0.06 -0.02 0.04 -0.06 -0.01 0.04 -0.05 -0.00 0.05 -0.05 -0.02 0.04 -0.02 -0.05 0.05 -0.12 -0.05 0.06 0.10 0.05 0.26 -0.02 -0.02 -0.19 0.01 0.29 -0.27 -0.21 0.10 0.08 0.07 0.07 0.00 -0.03 -0.10 -0.00 0.10 -0.13 -0.06 0.04 -0.07 -0.05 0.24 -0.12 -0.25 0.04 -0.02 0.20 0.06 -0.04 -0.09 0.06 0.10 0.03 0.16 -0.01 0.13 0.10 0.12 0.11 -0.05 0.09 0.02 -0.09 -0.04 -0.07 0.03 0.00 -0.01 0.04 0.03 -0.03 0.09 0.07 -0.07 0.04 -0.04 -0.04 0.05 -0.06 -0.07 0.10 -0.03 -0.00 -0.03 0.11 -0.02 0.00 -0.16 -0.01 -0.07 -0.13 0.03 -0.07 -0.13 0.01 -0.15 -0.07 0.08 -0.14 -0.07 0.07 0.07 0.05 0.03 -0.14 -0.05 0.04 -0.17 -0.01 -0.05 0.02 -0.00 -0.04 0.06 0.03 0.06 -0.00 0.03 0.02 0.10 0.08 -0.08 0.14 0.11 -0.06 0.02 -0.06 -0.14 -0.00 -0.04 -0.13 0.23 0.02 0.09 0.11 -0.06 0.06 -0.12 0.26 -0.11 -0.15 0.08 0.03 0.20 0.04 -0.04 -0.05 -0.15 0.02 -0.04 -0.15 -0.00 -0.17 -0.06 0.11 -0.15 -0.05 0.07 0.17 0.06 0.01 -0.31 -0.07 -0.02 -0.01 0.04 0.06 -0.09 -0.00 0.01 -0.06 -0.05 -0.00 -0.00 -0.03 0.04 -0.01 0.05 -0.02 0.04 0.06 -0.03 0.25 0.03 -0.08 -0.04 -0.08 0.02 0.01 0.09 0.02 -0.04 -0.00 0.03 0.13 0.11 0.02 -0.03 -0.06 0.02 -0.04 -0.04 -0.01 -0.03 -0.04 0.00 -0.02 -0.05 -0.03 -0.00 -0.04 -0.01 0.01 -0.05 0.04 -0.07 0.00 -0.03 0.00 -0.04 0.01 0.03 0.03 -0.07 0.08 -0.04 0.02 0.32 0.23 -0.07 0.44 -0.13 -0.19 -0.07 -0.29 -0.03 -0.21 0.03 0.02 0.00 0.07 -0.03 0.06 0.13 -0.02 0.25 0.19 0.16 0.17 0.04 0.02 -0.03 -0.10 0.05 -0.00 -0.05 0.07 -0.11 -0.04 -0.02 -0.04 -0.05 0.01 -0.02 -0.05 -0.04 0.01 -0.05 -0.01 0.02 -0.04 0.06 -0.12 -0.00 -0.00 0.08 0.06 0.05 0.03 -0.03 -0.05 -0.02 -0.04 -0.04 -0.08 0.01 -0.00 -0.06 0.01 0.03 0.01 -0.00 -0.05 -0.03 -0.02 0.01 0.03 0.00 -0.00 0.06 0.02 -0.05 -0.03 -0.03 -0.01 -0.01 -0.02 -0.07 0.04 -0.02 -0.00 -0.04 -0.00 -0.01 0.02 0.02 0.00 0.03 0.02 0.01 0.02 0.03 0.02 0.02 0.03 0.04 -0.02 0.05 -0.02 -0.04 -0.00 0.04 -0.00 0.04 0.04 -0.00 0.00 -0.03 -0.06 -0.04 -0.05 0.06 0.02 0.09 -0.00 -0.02 0.07 0.06 0.00 -0.06 0.11 0.07 -0.03 -0.06 -0.03 -0.37 -0.37 -0.07 -0.32 0.52 0.06 0.44 0.04 -0.06 -0.02 -0.00 -0.01 0.02 -0.06 -0.00 -0.04 0.00 -0.01 -0.00 0.04 0.01 0.00 0.05 0.02 -0.00 0.03 0.03 0.04 -0.03 0.06 -0.04 -0.05 -0.01 0.08 0.03 0.01 -0.06 -0.02 0.02 0.11 0.01 0.07 0.02 0.09 -0.04 -0.03 0.10 -0.04 -0.06 0.01 -0.00 0.04 -0.04 -0.01 0.03 -0.04 -0.02 0.05 -0.04 -0.03 0.03 -0.04 0.03 0.03 0.01 0.04 0.04 -0.08 0.03 0.01 0.06 -0.01 0.00 0.01 0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.05 -0.01 0.00 0.05 -0.02 -0.02 -0.05 -0.01 -0.08 0.04 -0.02 0.05 -0.06 -0.01 0.03 -0.04 -0.02 0.03 -0.04 -0.02 0.05 -0.04 -0.03 0.05 -0.03 -0.04 0.03 -0.05 0.04 -0.24 -0.51 -0.08 -0.19 0.37 0.10 0.56 -0.11 0.06 0.02 0.04 -0.02 0.01 0.10 -0.00 0.09 -0.03 0.01 -0.01 0.01 -0.00 -0.05 0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.06 -0.01 0.03 0.05 -0.01 -0.12 0.02 -0.01 0.04 0.03 0.02 -0.00 -0.06 0.03 0.01 0.01 -0.03 -0.02 0.02 -0.03 -0.01 -0.00 0.01 -0.16 -0.05 -0.02 -0.04 0.08 0.04 -0.06 0.16 0.10 -0.09 -0.07 -0.00 -0.04 -0.02 0.03 0.20 -0.15 0.01 -0.00 -0.00 -0.02 -0.03 0.02 -0.02 0.01 0.01 -0.03 -0.00 0.01 -0.01 0.03 -0.03 -0.03 0.00 0.01 -0.03 0.01 -0.01 -0.01 0.03 0.00 -0.03 -0.02 0.02 -0.00 -0.13 -0.09 -0.04 -0.17 0.15 0.08 0.16 -0.01 0.01 0.14 0.16 0.06 -0.21 0.32 0.22 -0.08 -0.11 -0.10 0.34 -0.07 -0.20 0.30 -0.27 0.16 0.21 -0.18 0.05 0.01 -0.03 -0.06 0.02 0.04 -0.01 0.01 -0.07 -0.01 0.03 0.01 -0.01 0.02 -0.01 -0.01 0.05 -0.06 -0.02 -0.01 -0.00 -0.04 0.03 -0.03 -0.01 -0.04 0.04 0.01 -0.13 -0.06 -0.10 0.32 0.16 0.05 -0.04 -0.17 -0.07 -0.03 -0.10 -0.05 0.09 0.00 0.05 -0.06 0.03 -0.04 -0.01 0.00 -0.01 -0.04 0.09 0.04 -0.01 0.02 -0.04 0.08 0.07 -0.03 0.04 0.02 -0.04 0.04 0.01 -0.02 -0.03 0.14 -0.05 -0.10 0.06 0.02 -0.01 0.11 -0.02 -0.04 -0.08 0.17 0.01 -0.01 0.12 0.03 -0.14 -0.02 -0.04 -0.11 0.18 0.05 0.03 0.03 -0.06 0.04 -0.04 -0.04 -0.01 -0.06 0.05 -0.07 0.02 0.03 0.10 0.09 -0.10 0.17 0.07 0.01 -0.01 -0.05 0.17 0.20 -0.04 0.14 -0.16 -0.03 -0.15 0.03 -0.06 -0.00 0.09 -0.03 0.04 0.01 -0.02 0.28 0.09 -0.05 -0.19 0.05 -0.04 -0.01 0.14 -0.04 -0.04 -0.13 0.20 0.09 0.03 0.18 0.03 -0.22 -0.03 0.08 0.14 0.07 -0.03 -0.02 0.07 -0.07 0.19 0.06 0.04 -0.11 -0.15 -0.02 -0.03 -0.14 0.09 -0.04 0.07 -0.02 0.13 -0.03 -0.03 -0.03 -0.01 -0.07 0.07 0.07 0.05 0.09 -0.02 0.03 0.03 0.06 -0.05 -0.05 -0.05 0.01 -0.01 0.02 0.06 -0.08 0.11 0.10 -0.04 0.07 -0.02 -0.10 0.06 0.04 0.06 -0.08 -0.06 -0.01 -0.09 0.12 -0.14 -0.05 -0.05 0.06 -0.13 -0.00 0.03 0.01 -0.05 0.17 0.01 0.03 -0.11 -0.12 -0.07 -0.10 0.08 -0.10 0.08 0.19 -0.06 0.10 0.02 0.06 0.10 0.04 -0.17 -0.22 -0.08 -0.14 0.07 -0.17 0.05 -0.12 0.06 0.02 -0.02 0.09 -0.12 0.05 0.00 -0.18 0.14 0.11 0.16 -0.03 0.11 -0.07 -0.16 0.11 0.10 0.10 -0.13 -0.12 -0.03 -0.13 0.19 -0.24 -0.05 -0.05 0.13 0.07 0.05 0.01 -0.02 -0.01 0.16 0.06 0.06 0.04 -0.09 -0.02 0.07 -0.10 -0.01 -0.03 0.04 -0.02 -0.18 0.02 0.04 0.02 0.01 0.06 -0.05 -0.05 -0.06 -0.13 -0.02 -0.03 -0.04 0.01 -0.03 0.09 0.01 -0.09 -0.08 0.06 -0.01 -0.04 -0.01 -0.01 -0.03 -0.01 0.02 -0.01 0.01 -0.02 0.00 0.04 -0.00 0.04 0.05 0.08 -0.01 -0.03 -0.00 0.05 0.05 -0.07 0.03 -0.01 0.02 -0.25 -0.03 -0.07 0.14 0.14 0.16 0.06 -0.10 0.15 -0.07 -0.19 0.01 -0.04 0.05 -0.05 -0.17 -0.08 0.06 0.26 0.13 0.04 0.02 0.13 -0.13 0.21 -0.16 -0.02 -0.16 0.32 -0.36 -0.09 0.01 -0.09 0.12 0.09 -0.02 -0.04 -0.01 0.07 -0.03 0.00 -0.06 -0.01 0.06 0.01 0.06 0.05 0.15 -0.05 -0.03 -0.15 0.03 0.02 -0.01 0.06 0.07 -0.08 -0.00 0.06 -0.03 -0.08 -0.04 -0.02 -0.05 -0.03 0.04 0.01 0.02 0.05 -0.08 -0.00 0.06 -0.04 -0.02 0.08 -0.08 -0.07 -0.03 -0.06 0.01 -0.04 0.02 0.07 0.01 0.07 0.03 0.04 0.04 0.00 -0.11 0.17 0.05 -0.01 0.19 0.00 -0.17 0.11 0.01 0.13 -0.05 -0.08 -0.03 -0.13 -0.08 0.00 -0.07 -0.02 0.12 -0.19 -0.09 0.02 0.02 0.01 0.07 -0.12 -0.03 0.05 -0.01 0.01 0.05 -0.00 -0.06 0.07 -0.09 -0.11 0.09 -0.10 -0.07 -0.05 -0.04 -0.03 0.11 0.26 0.12 0.09 -0.03 0.09 -0.14 0.16 -0.09 0.01 0.06 -0.10 0.09 0.13 0.02 -0.07 0.00 0.05 0.04 0.33 0.04 -0.29 0.15 0.03 0.23 -0.05 -0.13 -0.11 -0.21 -0.14 0.00 -0.11 -0.02 0.04 0.08 0.03 -0.02 -0.02 0.03 0.15 -0.09 0.05 -0.02 0.02 0.04 0.00 0.01 0.04 -0.03 0.02 -0.02 -0.11 -0.07 -0.12 0.05 -0.03 -0.08 -0.03 0.07 -0.01 -0.05 -0.07 -0.06 0.04 -0.00 0.03 -0.08 0.16 -0.05 0.04 0.05 -0.01 0.04 -0.03 0.09 0.09 -0.05 0.09 -0.00 -0.07 0.07 0.03 0.06 -0.04 -0.03 -0.03 -0.04 -0.04 0.04 0.02 -0.04 0.07 -0.08 0.00 -0.00 0.00 -0.09 -0.10 -0.18 -0.02 -0.00 -0.09 0.19 -0.12 -0.08 0.12 0.08 0.00 -0.16 0.20 0.10 -0.01 -0.14 -0.10 -0.02 0.33 0.14 -0.03 0.11 0.02 -0.21 0.29 -0.26 0.02 0.07 -0.09 0.11 0.08 0.01 0.16 -0.15 -0.07 0.16 -0.10 0.14 -0.04 -0.12 0.11 0.09 0.09 -0.08 -0.05 -0.08 -0.05 -0.07 0.06 0.02 0.02 -0.02 -0.02 -0.06 -0.04 0.00 -0.09 0.17 -0.06 -0.05 -0.03 0.04 -0.01 -0.03 0.05 -0.00 0.03 -0.04 -0.02 -0.15 0.09 -0.02 0.06 0.08 0.04 -0.04 0.00 0.01 -0.08 -0.02 0.05 0.03 -0.02 0.01 -0.04 -0.01 0.14 0.09 -0.07 0.06 -0.00 0.01 0.04 -0.02 0.02 0.05 -0.03 0.00 0.01 0.02 -0.00 0.01 0.01 -0.03 -0.06 0.02 0.00 -0.04 0.03 -0.03 0.03 -0.00 -0.02 0.00 -0.18 0.10 -0.16 0.20 0.22 0.09 0.12 -0.03 0.11 -0.06 -0.17 0.01 -0.05 0.09 0.06 -0.17 -0.04 0.03 -0.02 -0.00 0.03 -0.06 0.00 -0.01 -0.04 -0.01 0.06 0.15 -0.43 0.44 0.22 0.01 -0.15 0.21 0.09 0.04 -0.04 0.02 0.06 -0.05 0.01 0.03 0.03 -0.02 0.03 0.02 -0.02 -0.11 0.05 -0.00 0.08 -0.01 -0.04 -0.01 -0.00 0.00 0.01 -0.02 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.09 0.19 -0.05 0.10 -0.19 0.07 0.10 -0.16 0.06 -0.09 0.17 -0.07 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.02 0.00 0.01 -0.01 0.01 -0.06 -0.03 0.01 -0.04 0.06 0.01 0.03 0.02 -0.01 -0.00 0.01 0.02 -0.02 -0.02 -0.01 0.07 0.03 0.01 -0.19 0.39 -0.12 0.20 -0.39 0.15 0.22 -0.36 0.12 -0.20 0.36 -0.14 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.07 0.03 -0.01 -0.03 0.07 0.13 -0.01 -0.02 0.01 0.00 -0.03 0.01 0.02 0.00 -0.01 0.01 0.05 -0.08 0.05 -0.07 -0.08 -0.01 0.01 -0.02 -0.07 -0.00 0.06 -0.08 -0.02 0.08 0.00 0.04 0.10 0.08 0.07 -0.05 -0.06 -0.06 -0.07 -0.06 -0.08 -0.08 0.01 -0.05 -0.04 -0.07 -0.05 -0.01 -0.01 0.01 0.03 -0.00 -0.02 0.00 -0.02 0.04 0.03 0.03 -0.00 -0.00 0.01 0.04 -0.14 0.14 -0.16 -0.18 -0.01 -0.11 -0.01 -0.02 0.02 0.09 -0.01 0.04 -0.07 -0.10 0.06 0.08 0.02 0.06 0.09 0.01 0.07 0.22 0.06 0.08 0.03 0.05 0.02 -0.49 0.40 0.34 0.04 -0.10 0.01 0.11 -0.08 -0.10 -0.10 0.11 -0.04 -0.07 -0.15 -0.10 0.05 0.00 0.03 0.04 -0.01 -0.02 0.00 0.05 0.01 -0.00 0.14 0.07 0.02 0.19 0.08 -0.02 -0.01 0.00 0.02 0.01 -0.01 0.03 -0.00 0.00 -0.01 0.06 -0.00 0.10 -0.05 0.06 0.09 0.04 -0.05 0.01 -0.01 0.06 -0.08 -0.06 0.00 -0.08 0.01 -0.03 -0.15 0.01 -0.02 -0.08 -0.16 0.00 0.05 -0.09 -0.06 0.06 -0.15 -0.10 0.10 -0.06 -0.07 -0.03 -0.15 -0.08 0.03 -0.01 0.01 0.01 -0.07 0.05 -0.06 0.01 -0.01 0.00 0.07 -0.01 0.20 -0.07 0.12 0.19 -0.07 0.16 0.01 -0.07 -0.07 -0.07 0.13 -0.17 -0.04 -0.04 0.10 -0.12 -0.02 -0.11 -0.25 -0.00 -0.04 -0.23 0.04 -0.11 -0.02 0.01 -0.03 -0.20 0.14 -0.02 -0.06 0.23 0.07 -0.09 0.01 -0.08 0.12 -0.14 -0.19 0.15 -0.02 -0.16 0.01 -0.20 -0.23 -0.01 -0.02 0.03 0.01 0.03 -0.03 -0.01 -0.02 -0.03 0.01 -0.01 -0.01 -0.08 -0.00 -0.01 -0.01 -0.00 -0.03 -0.01 0.02 -0.00 0.01 0.02 0.01 -0.01 0.03 -0.04 -0.02 0.03 -0.03 -0.03 -0.11 0.00 0.05 -0.05 0.08 -0.05 0.02 -0.02 0.11 -0.03 0.01 0.00 -0.08 0.20 -0.06 0.06 -0.03 0.03 0.04 -0.03 0.03 0.06 -0.04 0.02 0.05 -0.05 0.02 0.01 -0.03 0.00 -0.10 0.21 -0.08 0.01 -0.01 0.01 0.05 -0.03 -0.05 0.09 -0.07 -0.04 -0.02 -0.02 -0.01 -0.01 -0.02 0.01 0.06 -0.04 -0.09 -0.12 0.03 0.10 0.08 -0.02 -0.04 0.06 -0.02 0.27 0.14 -0.02 0.11 -0.02 0.03 0.16 -0.14 -0.12 -0.03 0.08 0.05 -0.08 0.19 -0.26 0.13 0.16 -0.28 0.12 0.23 -0.30 0.11 0.20 -0.33 0.12 0.00 -0.06 -0.00 0.01 0.01 0.01 0.02 0.01 0.01 0.04 0.11 -0.17 -0.01 -0.00 0.02 0.01 0.02 0.03 -0.01 -0.00 -0.01 -0.02 0.02 -0.05 0.04 -0.04 -0.06 -0.03 0.03 -0.01 -0.04 -0.03 0.09 0.03 -0.02 -0.12 0.02 -0.02 0.21 -0.02 -0.10 -0.11 0.03 -0.08 0.08 -0.00 -0.00 0.07 -0.05 0.00 0.06 -0.01 0.04 -0.02 -0.06 0.00 -0.01 -0.00 0.04 0.01 0.03 -0.09 0.00 -0.01 -0.02 -0.01 -0.03 0.02 -0.14 0.09 -0.11 -0.15 -0.01 -0.09 0.01 0.02 0.04 0.06 -0.07 0.09 -0.01 -0.01 -0.06 0.18 0.10 0.04 0.13 0.07 -0.05 0.35 0.06 0.01 0.15 -0.02 -0.08 -0.04 -0.01 -0.23 -0.12 0.28 0.40 0.08 -0.03 0.15 0.06 -0.17 0.10 0.05 -0.05 0.20 -0.09 -0.17 0.10 -0.09 -0.00 0.08 0.02 -0.01 -0.05 -0.02 0.07 0.04 0.00 -0.04 -0.01 -0.08 0.01 0.01 0.00 -0.03 -0.02 -0.02 -0.01 0.02 -0.00 -0.05 -0.04 -0.03 0.01 -0.00 -0.03 -0.04 0.04 0.01 0.21 -0.05 0.04 0.18 0.05 0.02 0.01 -0.01 0.08 0.08 0.08 0.10 0.01 0.05 -0.03 -0.10 -0.02 0.01 -0.08 -0.03 -0.07 -0.09 -0.07 0.03 -0.06 -0.08 -0.02 -0.02 -0.02 -0.02 -0.11 0.01 -0.01 -0.01 0.03 -0.00 -0.12 0.06 -0.06 -0.08 0.01 -0.09 0.09 -0.10 0.02 0.12 0.04 -0.06 -0.17 0.14 0.16 0.28 -0.18 0.06 -0.08 0.01 0.33 -0.06 0.03 -0.11 -0.14 0.03 0.03 0.05 0.20 0.35 -0.14 -0.05 0.05 -0.18 -0.08 -0.04 -0.13 -0.14 -0.02 -0.09 -0.12 -0.02 -0.03 -0.19 0.08 0.02 -0.18 0.04 -0.06 -0.07 -0.03 -0.00 0.04 0.00 -0.01 -0.00 0.00 -0.04 -0.03 0.03 -0.04 -0.06 -0.02 0.02 0.06 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.01 0.02 0.08 -0.02 -0.00 0.01 -0.05 0.04 0.00 0.01 -0.02 -0.00 -0.05 -0.03 -0.02 0.01 -0.03 0.04 0.02 -0.05 -0.04 0.01 -0.04 0.05 -0.00 0.03 -0.02 -0.04 0.05 0.03 0.05 0.01 -0.02 0.06 0.00 -0.03 -0.02 -0.01 -0.03 0.05 -0.00 -0.03 0.01 -0.03 -0.00 -0.02 0.02 0.00 0.01 -0.00 -0.04 0.03 0.05 0.06 -0.00 -0.04 -0.05 0.00 0.10 -0.04 0.04 -0.12 -0.06 0.03 -0.05 -0.02 -0.03 -0.11 0.06 0.01 -0.01 0.59 0.56 0.36 0.05 0.02 -0.04 0.01 -0.02 -0.04 0.07 -0.10 0.08 0.05 -0.13 0.09 0.09 0.14 0.03 -0.06 -0.04 -0.02 0.01 0.01 0.01 -0.02 -0.06 -0.05 0.03 0.07 -0.00 -0.04 -0.08 -0.03 0.06 0.04 0.03 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.03 -0.03 -0.02 -0.10 0.03 -0.01 -0.02 0.11 0.01 -0.00 -0.00 -0.02 0.01 0.15 0.07 0.02 -0.03 -0.04 0.10 -0.04 -0.05 -0.05 -0.12 -0.08 0.02 0.09 0.05 -0.12 0.01 0.04 -0.03 -0.09 -0.01 0.01 -0.06 0.06 0.01 -0.00 0.01 0.04 -0.08 0.03 0.00 0.02 0.07 0.04 0.02 -0.04 0.00 -0.03 -0.03 0.07 -0.06 -0.05 -0.08 0.00 0.00 0.06 0.01 -0.14 0.04 -0.03 0.08 0.06 -0.02 0.01 0.02 0.17 0.21 -0.11 0.09 0.04 0.52 0.37 0.11 0.01 0.03 -0.11 -0.05 -0.02 -0.12 -0.11 0.24 0.02 -0.16 0.19 0.01 -0.10 -0.27 -0.04 -0.01 0.01 0.02 0.01 -0.00 -0.01 -0.03 -0.05 0.01 0.01 0.02 -0.01 -0.02 -0.02 -0.02 0.03 0.03 0.02 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.03 0.02 -0.00 0.00 -0.03 0.01 0.06 0.04 -0.01 0.01 0.05 -0.15 -0.07 0.11 0.12 0.09 0.10 -0.13 -0.10 -0.11 0.15 0.05 -0.11 -0.01 -0.04 -0.01 0.01 -0.02 -0.05 -0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.02 -0.02 -0.01 -0.01 0.01 -0.02 -0.01 -0.00 -0.03 -0.00 0.01 -0.02 0.01 0.00 -0.02 0.01 0.07 0.10 -0.03 0.07 0.04 0.59 0.49 0.26 -0.13 0.02 0.12 0.05 0.08 0.12 -0.11 -0.03 -0.15 0.10 0.04 -0.14 -0.05 -0.13 -0.03 -0.04 -0.02 0.00 -0.02 -0.01 0.00 0.01 0.03 0.03 0.16 0.19 0.07 -0.11 -0.08 -0.01 0.04 0.17 0.00 0.02 0.03 -0.00 -0.01 0.02 -0.01 -0.03 0.02 0.02 0.06 -0.03 -0.00 -0.02 -0.11 -0.01 0.00 0.01 -0.00 0.07 -0.16 -0.04 -0.02 -0.02 0.00 0.02 0.04 -0.03 -0.02 0.05 0.02 0.06 -0.01 0.00 0.01 -0.02 0.04 -0.14 -0.13 -0.06 0.01 0.06 -0.01 -0.05 -0.00 -0.02 -0.01 0.07 -0.02 0.01 -0.02 -0.05 -0.06 -0.00 0.03 -0.03 0.02 0.05 -0.03 0.03 0.02 0.03 0.02 -0.02 -0.04 0.01 0.10 -0.03 0.03 -0.07 -0.04 0.02 -0.03 0.14 -0.32 -0.10 0.14 -0.11 -0.02 0.00 0.07 0.13 0.07 0.05 -0.00 0.03 0.01 0.02 0.09 -0.10 0.04 0.05 -0.13 0.06 -0.45 -0.49 -0.15 -0.09 -0.10 -0.06 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.07 0.07 0.02 -0.15 -0.18 -0.04 -0.15 -0.18 -0.05 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.06 -0.04 0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.04 0.08 0.00 0.01 0.02 -0.00 0.12 0.22 0.03 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.03 0.01 0.01 -0.02 0.01 0.03 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.10 -0.11 0.04 0.04 -0.05 0.02 0.16 0.16 0.10 0.01 0.03 -0.01 0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.12 0.26 0.04 0.42 0.66 0.13 0.02 0.01 -0.00 -0.02 -0.01 0.01 0.01 -0.09 0.01 -0.03 0.07 -0.01 -0.06 0.05 -0.03 0.06 0.06 -0.00 -0.04 0.03 0.01 -0.01 0.00 0.04 -0.08 -0.07 -0.02 0.05 -0.05 0.01 -0.02 0.01 -0.04 0.20 -0.13 0.10 -0.02 0.15 -0.05 0.02 -0.05 0.07 0.03 -0.08 -0.04 -0.05 0.08 0.04 -0.03 0.04 -0.08 -0.01 0.03 -0.05 -0.01 -0.12 0.03 -0.07 0.03 -0.03 0.10 -0.01 -0.06 0.23 -0.07 0.07 -0.29 0.22 -0.03 -0.07 0.04 0.34 0.09 0.06 -0.24 -0.08 -0.04 0.04 0.06 0.08 -0.10 0.03 0.00 0.15 0.07 0.07 -0.15 0.18 -0.09 0.12 0.14 -0.16 0.08 -0.02 0.02 0.08 0.05 -0.24 0.09 0.06 -0.24 0.03 -0.01 0.12 -0.00 0.00 0.12 -0.06 -0.05 0.12 -0.04 -0.08 -0.02 -0.05 0.03 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.02 0.02 -0.01 -0.02 0.00 0.01 0.01 -0.01 0.01 -0.13 -0.01 -0.01 0.03 -0.00 0.00 -0.02 0.00 -0.03 0.03 0.01 0.03 0.16 -0.15 0.07 -0.06 0.10 0.05 -0.04 0.06 -0.11 0.04 -0.07 0.12 0.06 -0.12 -0.05 -0.00 -0.00 -0.01 -0.15 0.10 -0.05 -0.01 0.00 -0.00 0.10 -0.09 -0.03 0.18 -0.03 0.14 -0.15 0.19 -0.09 -0.04 0.02 0.24 0.10 0.03 -0.23 -0.11 -0.03 0.06 0.11 0.07 -0.22 0.07 -0.04 0.20 0.09 0.02 -0.07 0.03 0.01 0.03 0.02 0.01 0.03 -0.00 0.00 0.01 -0.27 0.31 -0.09 -0.25 0.29 -0.17 0.12 -0.05 0.07 0.14 -0.09 0.01 -0.00 0.02 -0.01 -0.02 -0.00 -0.00 -0.04 -0.02 -0.00 0.03 0.00 -0.10 -0.02 -0.08 -0.01 0.00 0.05 -0.02 -0.02 0.03 -0.00 0.03 0.02 -0.01 -0.03 0.02 0.00 -0.01 -0.00 0.03 -0.03 -0.05 -0.02 0.05 0.00 -0.00 -0.01 -0.01 -0.00 0.14 0.07 0.17 -0.08 -0.13 0.02 0.01 -0.03 -0.18 -0.04 0.06 0.16 0.02 -0.09 -0.17 -0.03 0.00 0.19 0.00 0.00 -0.03 0.13 0.13 -0.01 -0.04 0.01 -0.01 0.06 -0.03 -0.06 0.19 -0.04 0.10 -0.20 0.20 -0.08 0.02 0.03 0.29 0.03 0.11 -0.20 0.01 -0.08 0.05 0.04 0.05 -0.01 0.02 -0.00 0.11 0.03 0.04 -0.08 0.11 0.17 0.28 0.01 0.05 0.14 -0.05 -0.05 -0.09 0.08 0.18 -0.14 0.04 0.25 0.04 -0.18 -0.12 -0.08 -0.20 -0.07 0.07 0.03 0.09 -0.02 -0.07 -0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.05 -0.01 0.01 -0.03 0.01 0.03 -0.03 0.01 0.03 -0.01 -0.02 -0.04 0.01 -0.00 -0.02 -0.02 0.04 0.06 -0.07 0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.01 -0.11 0.05 -0.07 -0.01 0.02 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.01 0.03 0.01 -0.02 0.01 0.04 -0.02 0.01 0.03 -0.04 -0.11 0.31 -0.04 0.23 -0.27 0.35 -0.19 0.18 0.04 0.46 -0.04 0.29 -0.30 0.06 -0.10 -0.02 -0.03 0.00 0.16 -0.03 0.05 -0.03 -0.03 0.07 -0.14 -0.10 0.05 -0.07 -0.09 0.09 -0.06 -0.01 0.01 0.02 0.03 -0.05 0.02 0.05 -0.09 0.03 0.01 -0.01 0.00 0.02 -0.05 0.02 0.01 -0.07 0.02 0.04 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 -0.02 0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.08 -0.04 0.03 0.04 -0.06 -0.00 -0.02 -0.01 -0.06 0.03 0.09 0.01 -0.02 0.03 -0.00 0.01 0.03 0.04 0.03 -0.05 -0.00 -0.02 0.04 -0.01 -0.00 0.00 -0.00 0.03 -0.05 0.02 -0.00 0.00 -0.00 0.03 -0.05 0.02 -0.01 -0.01 -0.01 -0.02 0.03 -0.01 -0.01 0.01 -0.00 -0.06 -0.04 0.10 0.17 0.03 0.31 0.16 0.16 -0.29 0.20 0.02 0.13 -0.07 0.21 -0.23 0.02 0.06 -0.11 -0.05 -0.08 -0.00 -0.02 -0.03 -0.21 -0.08 -0.11 0.26 0.04 -0.07 0.00 0.05 -0.11 -0.01 0.03 -0.01 -0.02 0.02 -0.03 0.01 -0.17 0.32 -0.11 0.01 -0.03 0.01 -0.19 0.37 -0.13 0.02 0.08 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.05 0.03 -0.03 -0.04 0.06 0.02 0.02 -0.02 0.04 0.02 -0.08 -0.00 -0.02 0.00 -0.01 0.01 -0.02 -0.02 -0.02 0.01 -0.01 -0.03 0.06 -0.02 0.00 -0.00 0.01 0.04 -0.07 0.02 0.00 0.00 0.01 0.04 -0.08 0.02 -0.01 -0.02 0.00 -0.03 0.04 -0.02 0.01 -0.01 0.00 -0.03 0.09 -0.19 -0.07 -0.06 -0.24 -0.22 -0.08 0.26 0.02 -0.04 -0.09 -0.02 -0.05 0.16 -0.00 -0.03 0.02 0.01 0.04 0.11 -0.01 0.05 0.05 -0.00 0.08 -0.18 -0.02 0.01 -0.01 -0.02 0.03 -0.01 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 -0.24 0.43 -0.15 0.00 0.02 -0.00 -0.26 0.51 -0.18 0.05 0.06 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.06 0.01 -0.02 -0.00 0.02 0.09 0.06 -0.08 -0.04 -0.01 0.04 0.01 -0.01 0.01 -0.00 -0.00 0.02 -0.01 0.02 -0.02 0.01 0.00 -0.00 0.00 0.01 -0.02 0.01 -0.01 0.02 -0.01 0.02 -0.03 0.01 -0.01 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.26 0.19 -0.39 0.12 -0.14 -0.12 -0.26 0.01 0.25 0.52 -0.09 -0.16 -0.16 0.25 0.01 -0.01 0.03 -0.03 -0.01 -0.03 -0.09 0.01 -0.03 -0.07 0.00 -0.05 0.10 0.02 -0.03 0.00 0.02 -0.04 0.00 -0.00 -0.01 -0.02 -0.08 0.14 -0.05 0.06 -0.11 0.03 -0.09 0.18 -0.06 0.08 -0.14 0.05 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.00 -0.03 -0.02 0.02 0.02 0.03 -0.02 -0.01 -0.02 0.02 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.03 0.06 -0.02 0.04 -0.07 0.03 0.00 -0.00 0.00 0.05 -0.10 0.04 -0.00 0.01 -0.00 0.01 0.02 0.00 -0.02 0.05 -0.02 -0.00 -0.00 0.00 0.07 -0.05 0.11 -0.04 0.05 0.04 0.06 0.01 -0.08 -0.14 0.03 0.07 0.03 -0.06 0.01 0.01 -0.00 -0.03 -0.03 -0.01 0.11 -0.02 0.03 -0.04 -0.03 0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.04 -0.02 -0.03 -0.05 -0.03 -0.24 0.44 -0.16 0.02 -0.04 0.01 -0.34 0.64 -0.22 0.02 -0.03 0.01 -0.06 -0.09 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.03 0.01 0.00 0.01 -0.00 0.03 0.04 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.10 -0.15 -0.03 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.03 0.05 -0.02 0.03 -0.06 0.02 -0.03 0.08 -0.02 0.05 -0.08 0.03 0.51 0.79 0.18 0.06 0.10 0.02 0.00 0.00 0.00 0.06 0.01 -0.15 0.00 -0.01 0.01 0.02 0.01 -0.06 -0.00 0.01 0.01 0.04 -0.03 0.01 -0.01 0.01 -0.04 -0.03 -0.01 0.02 0.03 0.00 -0.02 -0.14 -0.07 0.03 0.03 0.00 0.05 -0.06 0.01 0.21 -0.02 -0.02 -0.00 0.00 0.02 0.04 0.01 -0.00 -0.02 0.03 0.03 0.05 0.03 0.01 -0.05 0.03 -0.00 -0.03 -0.02 -0.02 -0.00 -0.03 -0.02 -0.00 -0.01 0.02 -0.03 -0.02 0.02 -0.03 -0.05 0.03 -0.03 0.07 -0.00 0.04 -0.09 0.07 0.07 -0.07 0.12 -0.19 -0.09 -0.07 0.20 -0.05 0.03 -0.18 -0.10 -0.04 0.12 -0.05 -0.15 -0.36 0.32 0.46 0.34 0.07 0.02 -0.16 0.01 0.02 0.04 0.02 -0.01 -0.02 0.09 0.04 0.02 0.08 -0.02 -0.01 0.03 -0.05 -0.03 0.03 0.17 0.06 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.02 0.02 0.01 0.02 0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.02 0.01 0.00 0.00 0.00 -0.10 -0.15 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.02 0.02 0.01 0.01 -0.02 0.01 -0.00 0.02 0.01 0.00 -0.01 0.00 0.01 0.03 -0.03 -0.04 -0.03 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.07 -0.10 -0.02 0.53 0.79 0.17 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 0.14 -0.12 0.25 0.11 0.03 -0.17 -0.20 0.04 -0.01 -0.04 0.00 0.06 0.04 -0.05 -0.03 -0.02 0.04 -0.09 -0.01 0.04 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.02 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.04 0.03 -0.10 0.23 -0.11 -0.35 -0.22 -0.02 0.07 0.22 0.04 -0.12 -0.38 0.24 0.12 -0.03 0.02 0.11 0.07 0.00 -0.39 0.07 -0.09 -0.02 0.11 -0.08 0.09 -0.02 0.08 0.05 -0.06 0.03 -0.02 -0.05 0.01 0.09 0.02 -0.02 0.02 0.02 -0.04 0.02 -0.04 0.08 -0.03 -0.06 0.08 -0.03 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.07 0.00 -0.03 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.13 -0.11 -0.09 -0.11 0.06 -0.14 0.03 -0.09 0.16 -0.01 0.08 -0.05 -0.06 0.08 -0.05 0.00 0.04 0.09 0.06 0.00 -0.04 0.01 -0.04 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.03 -0.00 -0.01 0.03 -0.01 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.09 -0.09 -0.16 -0.29 0.19 -0.07 -0.15 0.11 -0.17 0.15 -0.08 0.19 -0.14 0.05 0.37 -0.06 0.14 -0.14 -0.04 -0.08 0.00 0.00 -0.05 -0.10 -0.06 -0.13 0.35 0.08 0.03 0.16 -0.07 -0.22 -0.09 0.07 -0.03 -0.08 -0.03 0.05 -0.03 -0.06 0.09 -0.03 0.08 -0.15 0.06 0.10 -0.15 0.05 -0.03 0.00 -0.01 0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 0.06 0.04 -0.00 0.02 -0.04 0.03 -0.04 0.01 -0.05 0.00 -0.05 0.05 -0.02 0.03 -0.03 -0.01 0.03 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.02 0.01 0.04 -0.08 0.03 -0.01 0.03 -0.00 -0.04 0.08 -0.04 0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.13 -0.08 -0.07 -0.06 -0.02 0.10 -0.06 0.03 -0.05 0.00 -0.00 -0.08 -0.01 -0.05 -0.10 -0.04 -0.01 0.19 -0.04 0.06 -0.09 -0.07 0.04 -0.10 0.04 -0.00 0.07 -0.03 -0.08 -0.03 0.03 -0.02 -0.07 -0.10 0.19 -0.07 -0.28 0.50 -0.17 0.11 -0.19 0.08 0.28 -0.48 0.17 -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 0.03 0.14 -0.15 0.11 -0.04 0.34 -0.20 -0.11 0.00 -0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.02 0.01 0.04 -0.01 0.01 -0.02 0.01 -0.01 -0.02 -0.03 0.04 0.00 0.03 -0.01 -0.00 -0.00 0.00 0.01 -0.03 0.01 -0.00 -0.01 -0.01 -0.02 0.02 0.01 0.01 -0.05 0.20 0.01 0.00 0.00 -0.09 0.11 -0.22 -0.01 0.01 0.01 -0.05 0.04 0.04 0.04 0.01 -0.05 0.03 -0.01 0.01 -0.01 0.01 0.03 0.03 0.01 0.10 0.05 0.04 -0.12 0.03 -0.03 0.08 0.05 -0.01 0.01 -0.06 0.00 -0.09 0.16 -0.05 0.08 -0.06 -0.02 0.05 -0.01 0.00 -0.00 -0.10 0.18 -0.06 -0.02 0.01 -0.02 0.05 -0.14 0.06 -0.42 0.23 0.16 -0.37 0.27 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.01 0.02 -0.01 0.03 -0.02 -0.02 -0.04 0.02 0.02 0.01 -0.01 -0.05 -0.04 -0.01 -0.03 0.03 -0.04 0.03 0.01 0.05 0.05 0.09 -0.05 0.04 -0.06 0.02 -0.04 -0.07 -0.03 0.02 0.00 0.06 -0.02 -0.01 0.01 -0.00 0.03 -0.07 0.03 0.00 -0.04 -0.02 -0.05 0.05 0.01 0.00 0.00 -0.02 0.01 0.00 -0.00 0.02 -0.01 0.03 -0.03 0.07 0.06 -0.15 0.11 0.13 0.14 0.02 -0.16 0.14 -0.04 0.02 -0.05 0.05 0.08 0.07 0.07 0.32 0.13 0.10 -0.34 0.07 -0.07 0.23 0.15 0.00 -0.03 -0.09 -0.03 -0.18 0.10 0.14 0.07 -0.05 0.03 0.09 0.04 -0.09 0.03 -0.22 0.39 -0.13 -0.09 0.11 -0.06 0.11 -0.28 0.11 0.07 -0.04 -0.02 0.02 -0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 0.02 0.01 0.02 0.02 0.01 0.01 -0.02 -0.00 -0.02 -0.02 -0.02 0.01 -0.00 0.03 -0.01 0.05 -0.11 0.04 -0.01 0.02 -0.01 -0.04 0.07 -0.04 0.00 -0.02 0.02 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.04 0.04 -0.05 0.04 0.05 0.04 0.01 -0.06 0.05 -0.01 -0.00 -0.04 0.03 0.03 0.04 0.02 0.15 0.04 0.05 -0.08 0.02 -0.01 0.10 0.06 0.03 -0.07 -0.03 -0.03 -0.09 0.07 0.03 0.03 -0.03 -0.03 -0.01 -0.35 0.62 -0.23 0.07 -0.13 0.04 0.23 -0.44 0.14 -0.08 0.11 -0.04 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.02 0.01 0.02 0.02 0.03 0.03 -0.01 -0.05 -0.01 -0.04 0.11 -0.11 0.02 0.01 0.08 0.05 -0.04 0.02 -0.01 0.01 0.05 -0.02 0.00 -0.02 0.03 0.01 -0.02 -0.01 -0.01 -0.00 -0.03 -0.02 0.00 0.03 -0.01 0.00 0.01 0.01 0.01 -0.00 0.01 -0.01 0.00 0.07 -0.19 -0.16 0.05 -0.07 -0.13 -0.18 0.01 0.15 -0.27 0.04 0.12 0.16 -0.15 -0.05 -0.03 -0.15 -0.33 -0.06 -0.14 -0.19 0.02 -0.10 -0.27 -0.09 -0.19 0.48 -0.06 0.07 -0.02 -0.03 0.11 0.01 -0.10 0.02 0.18 -0.08 0.14 -0.02 -0.04 0.09 -0.06 0.04 -0.07 -0.02 -0.01 -0.03 0.04 0.02 -0.02 0.02 0.01 -0.00 0.01 0.01 0.00 0.00 0.03 0.02 -0.05 0.03 -0.02 -0.06 -0.10 0.02 0.25 0.04 -0.01 -0.05 -0.01 0.02 -0.03 -0.02 -0.02 0.00 0.01 -0.02 0.01 -0.01 0.02 0.03 0.00 -0.19 0.05 0.00 0.01 -0.01 0.04 0.10 -0.04 -0.09 -0.01 -0.01 0.07 -0.04 -0.12 0.02 0.04 0.13 0.01 0.07 0.13 0.06 -0.01 -0.13 0.07 -0.03 -0.06 -0.08 -0.04 -0.00 -0.05 0.03 -0.03 -0.04 0.09 0.05 -0.06 0.05 0.10 0.15 -0.02 -0.09 0.08 -0.02 -0.03 -0.02 0.04 0.00 -0.10 0.18 0.02 -0.00 -0.02 -0.07 0.00 -0.00 -0.04 0.00 -0.01 0.02 0.06 0.12 0.27 -0.35 0.20 -0.09 -0.15 0.02 0.19 -0.09 0.07 -0.22 -0.14 0.09 0.16 -0.04 -0.03 0.21 0.00 -0.09 -0.18 0.13 -0.08 -0.07 0.20 -0.08 -0.18 -0.01 -0.01 -0.00 0.02 0.00 -0.03 0.04 -0.02 -0.04 -0.10 0.02 0.24 0.02 -0.00 -0.06 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.04 -0.01 0.03 0.01 -0.02 -0.02 -0.01 0.02 -0.01 0.01 0.00 0.01 -0.08 0.03 0.20 -0.02 -0.08 -0.21 0.01 -0.04 -0.14 -0.04 0.03 0.14 0.10 -0.04 -0.10 0.11 0.06 0.00 -0.06 0.04 -0.03 -0.01 0.03 0.04 -0.04 0.03 0.03 0.01 0.01 -0.04 0.05 -0.01 0.00 -0.06 0.04 0.06 -0.05 0.09 0.02 -0.01 0.00 0.08 -0.02 0.04 -0.01 -0.01 0.04 -0.11 0.02 -0.04 0.03 -0.13 0.15 -0.02 -0.01 -0.01 -0.03 0.08 0.15 0.33 0.19 -0.02 -0.32 0.21 0.02 -0.25 0.13 0.16 0.26 0.19 -0.09 -0.10 0.20 -0.08 -0.18 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.02 -0.00 0.01 -0.03 0.01 0.06 -0.00 0.00 -0.02 -0.02 -0.02 0.01 0.07 -0.02 0.00 0.04 0.00 -0.08 -0.00 -0.01 0.05 0.00 0.12 0.06 0.01 0.02 -0.04 -0.05 -0.07 0.00 0.05 0.01 0.01 0.02 0.00 -0.06 0.00 0.02 0.04 -0.02 -0.02 0.00 -0.01 -0.01 -0.01 0.05 -0.02 -0.05 -0.03 -0.01 0.01 -0.02 0.02 -0.01 0.05 -0.13 -0.06 -0.26 0.11 -0.06 -0.40 0.17 0.09 -0.28 0.06 0.44 -0.16 -0.01 0.38 0.07 -0.14 0.05 -0.00 -0.00 -0.04 0.01 -0.00 -0.08 -0.00 -0.01 0.01 -0.05 -0.10 -0.18 0.13 -0.01 0.04 0.05 -0.01 -0.11 0.01 -0.11 -0.08 -0.05 -0.04 0.10 -0.12 -0.02 0.04 -0.04 -0.03 -0.03 0.10 -0.04 -0.05 0.05 -0.03 -0.05 -0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.02 -0.00 -0.01 0.04 -0.01 -0.07 0.00 -0.00 0.02 -0.01 0.04 0.00 0.05 -0.05 0.02 0.04 -0.02 -0.11 -0.00 0.01 0.00 -0.03 -0.11 0.01 0.00 -0.02 -0.01 0.07 0.06 -0.03 -0.06 -0.02 -0.00 -0.02 0.00 0.05 -0.00 -0.02 -0.04 0.02 0.01 0.01 0.02 0.01 -0.01 -0.06 0.03 0.07 0.02 0.01 -0.00 0.03 -0.02 0.01 -0.05 0.12 0.10 -0.33 0.17 0.12 -0.19 0.15 -0.04 -0.10 0.03 0.37 -0.30 0.11 0.44 -0.10 0.18 0.03 -0.00 0.00 0.05 -0.01 0.03 0.03 0.00 0.03 -0.08 0.10 0.06 0.24 -0.18 -0.02 -0.08 -0.06 0.02 0.09 0.02 0.06 0.08 0.04 0.03 -0.09 0.08 0.03 -0.02 0.07 0.04 0.02 -0.15 0.07 0.06 -0.06 0.03 0.06 0.00 -0.00 -0.00 0.03 0.03 -0.14 0.00 -0.01 -0.02 0.02 0.00 -0.04 -0.00 -0.00 0.02 -0.01 -0.03 -0.04 -0.05 0.03 -0.06 0.02 -0.02 0.08 -0.08 0.00 0.24 -0.04 0.04 0.26 0.09 0.05 -0.13 0.05 -0.04 -0.09 0.00 0.01 0.03 0.01 0.00 -0.02 -0.00 -0.01 -0.03 -0.03 -0.02 -0.03 0.02 0.01 -0.00 -0.07 0.03 0.06 -0.01 0.00 0.02 0.03 -0.02 -0.00 0.10 -0.21 -0.09 0.11 -0.06 -0.10 0.17 -0.11 -0.06 0.06 -0.05 -0.08 0.14 -0.08 -0.12 -0.13 0.03 0.07 -0.10 -0.09 0.06 -0.05 0.10 -0.52 -0.15 0.01 -0.07 0.14 -0.16 0.16 -0.17 -0.08 -0.13 -0.09 0.02 0.00 0.08 0.04 0.03 -0.02 -0.05 -0.01 -0.10 -0.05 0.01 0.11 0.09 0.06 -0.19 0.10 0.06 -0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.12 0.07 0.01 0.05 -0.02 -0.08 0.00 -0.01 0.02 -0.00 0.00 -0.03 -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 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.07 -0.07 0.12 0.56 -0.30 -0.09 0.41 -0.22 -0.02 -0.13 0.02 0.28 -0.22 0.06 0.41 0.01 -0.01 0.01 0.00 -0.00 -0.03 0.01 -0.01 -0.02 0.00 -0.01 0.02 -0.01 0.01 -0.02 0.02 0.00 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.03 -0.02 -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 -0.03 -0.01 -0.02 0.01 0.01 -0.00 0.01 0.01 0.02 0.05 -0.03 0.07 -0.02 0.03 -0.03 -0.01 0.04 -0.03 0.00 0.01 0.01 -0.07 -0.04 -0.00 -0.10 -0.03 0.06 -0.07 -0.06 -0.06 0.02 0.06 0.14 0.06 -0.01 -0.13 0.01 -0.01 -0.01 0.30 0.16 0.00 -0.01 0.00 0.00 0.02 -0.09 -0.07 -0.03 0.00 -0.04 -0.03 -0.01 0.03 -0.08 0.01 0.05 0.10 -0.06 -0.10 0.15 -0.17 0.15 0.03 0.00 -0.21 0.05 -0.07 -0.05 0.04 -0.05 0.11 -0.01 0.02 -0.03 0.04 -0.05 0.01 0.04 -0.00 -0.06 -0.25 -0.17 -0.03 -0.22 -0.12 0.01 -0.29 -0.03 0.33 -0.22 -0.24 -0.36 0.03 -0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.04 0.02 0.03 -0.00 -0.01 -0.01 -0.02 -0.02 -0.01 -0.11 0.05 -0.10 0.08 -0.01 0.08 0.04 -0.07 0.05 -0.02 -0.03 -0.02 0.12 0.07 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.00 -0.04 -0.02 -0.00 -0.03 -0.02 -0.01 -0.01 0.00 0.01 0.09 0.05 0.01 0.01 -0.00 -0.00 0.05 0.05 0.20 0.08 -0.03 0.03 -0.04 0.05 -0.04 0.18 -0.04 -0.16 -0.17 0.09 0.18 -0.25 0.24 -0.25 -0.05 -0.01 0.37 -0.09 0.14 0.02 -0.11 0.09 -0.19 -0.04 -0.02 -0.06 0.01 0.04 -0.00 -0.06 0.02 0.12 -0.16 -0.12 -0.12 -0.21 -0.08 0.11 -0.27 -0.10 0.13 -0.18 -0.13 -0.12 -0.00 -0.00 0.01 0.03 -0.01 -0.02 -0.00 -0.00 -0.00 0.02 0.01 -0.05 0.01 0.00 -0.04 -0.01 0.00 0.02 0.01 -0.01 0.02 0.02 -0.03 0.03 0.00 0.02 0.02 -0.02 0.02 -0.02 0.09 0.00 -0.17 -0.03 0.05 0.17 -0.10 -0.01 0.07 0.01 -0.03 -0.04 -0.05 -0.00 0.05 0.04 0.01 -0.03 -0.04 -0.04 -0.04 -0.04 -0.02 -0.01 0.07 0.02 -0.04 -0.04 0.02 0.04 0.00 0.01 0.04 0.02 -0.01 -0.01 -0.02 0.03 0.03 0.16 -0.08 -0.04 -0.03 -0.02 0.09 -0.05 0.03 0.00 -0.01 0.01 -0.02 0.16 -0.10 -0.12 0.10 0.09 -0.24 0.06 -0.13 0.41 0.17 -0.04 0.11 0.09 -0.16 0.04 -0.11 0.07 -0.05 0.06 -0.01 -0.13 0.24 0.19 0.12 -0.17 -0.07 0.01 -0.29 -0.11 0.13 0.27 0.18 0.10 -0.09 0.05 0.04 0.08 -0.04 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 0.03 -0.07 0.03 -0.01 -0.00 -0.01 -0.00 0.03 0.02 -0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.32 -0.30 0.58 0.22 -0.12 -0.05 -0.36 0.20 0.03 0.17 -0.04 -0.34 -0.11 0.02 0.22 0.04 -0.04 0.02 0.01 0.00 -0.07 0.02 -0.02 0.01 0.02 -0.02 0.05 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.04 0.02 -0.02 0.05 0.02 -0.02 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.05 -0.01 0.01 0.02 0.01 -0.01 0.02 0.00 -0.01 0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.04 -0.00 -0.04 -0.03 0.03 0.09 -0.04 0.00 0.01 0.02 -0.02 -0.02 0.03 0.00 -0.03 -0.06 -0.03 0.01 0.06 0.04 0.02 0.04 0.03 0.02 -0.06 -0.02 0.03 -0.04 0.02 0.03 0.01 -0.01 -0.03 0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.04 -0.02 -0.03 0.01 -0.02 0.04 -0.02 0.01 0.03 0.01 -0.00 -0.04 0.05 -0.03 -0.05 0.03 0.02 -0.09 0.02 -0.05 0.12 0.06 -0.01 0.03 0.12 -0.21 0.07 -0.13 0.16 -0.03 0.06 0.00 -0.09 -0.35 -0.27 -0.19 0.33 0.15 -0.12 0.36 0.14 -0.15 -0.34 -0.24 -0.16 -0.14 0.09 0.03 0.08 -0.05 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.04 -0.00 0.02 -0.02 0.03 0.06 -0.02 -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.03 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.12 0.00 0.00 0.00 -0.05 -0.01 0.19 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.09 0.11 -0.03 0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.03 -0.01 0.01 -0.00 0.00 -0.00 -0.53 0.39 -0.18 -0.45 0.20 0.44 0.00 0.00 -0.00 -0.01 0.00 0.02 0.00 -0.01 -0.05 -0.01 0.00 0.02 0.01 -0.01 0.02 0.02 0.06 -0.05 0.04 0.06 0.04 -0.07 -0.09 -0.02 0.02 -0.08 0.03 -0.07 -0.02 -0.07 -0.00 0.04 -0.00 0.02 0.02 0.02 0.12 0.05 -0.00 0.03 0.02 -0.00 -0.01 -0.00 0.01 -0.04 -0.03 -0.03 -0.02 -0.00 0.02 -0.03 0.01 0.03 0.01 0.00 -0.00 0.01 -0.01 -0.01 0.17 -0.05 0.32 -0.28 0.14 -0.12 0.23 -0.21 0.20 0.13 -0.05 0.25 -0.13 0.21 -0.28 -0.05 0.03 0.01 -0.01 -0.05 -0.15 0.03 -0.06 -0.08 0.00 -0.05 0.14 0.12 -0.19 0.01 -0.11 0.20 0.02 0.07 -0.00 -0.11 -0.01 -0.02 -0.04 -0.22 -0.09 0.13 -0.18 -0.08 0.05 -0.00 0.01 0.04 -0.12 0.07 0.02 0.08 -0.04 -0.04 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.06 0.01 -0.01 -0.02 -0.01 0.01 -0.03 -0.02 -0.01 -0.01 0.06 0.10 0.00 -0.04 -0.09 -0.01 -0.02 0.05 -0.04 0.05 0.01 0.08 -0.00 -0.03 0.01 -0.01 -0.01 -0.02 -0.09 -0.03 0.00 -0.03 -0.02 -0.00 0.01 0.00 -0.01 0.03 0.02 0.02 0.02 0.00 -0.02 0.03 -0.02 -0.03 -0.01 -0.00 0.00 -0.01 0.01 0.01 0.14 -0.17 0.25 -0.19 0.08 -0.30 0.14 -0.20 0.25 0.11 -0.05 0.35 -0.04 0.13 -0.31 -0.00 0.01 -0.08 0.01 0.04 0.09 -0.03 0.05 0.08 -0.00 0.03 -0.08 -0.13 0.23 -0.00 0.12 -0.25 -0.03 -0.07 0.01 0.10 -0.02 0.00 0.00 0.15 0.06 -0.09 0.16 0.07 -0.05 0.02 0.00 -0.02 0.16 -0.10 -0.02 -0.11 0.06 0.06 0.00 0.00 0.00 -0.01 -0.01 0.02 0.03 -0.02 -0.05 -0.02 0.02 0.00 0.00 -0.01 0.05 -0.09 -0.06 0.03 0.03 0.05 -0.05 0.04 -0.02 0.03 -0.01 0.12 0.01 0.04 -0.01 -0.08 0.02 -0.06 -0.01 -0.01 -0.01 0.03 -0.03 -0.01 -0.02 0.03 0.02 0.02 0.02 0.01 -0.00 -0.03 -0.01 0.02 -0.01 -0.01 -0.01 -0.03 0.01 0.02 -0.01 -0.01 -0.01 0.02 -0.01 -0.02 -0.04 -0.14 0.02 0.03 -0.03 -0.24 -0.10 0.02 0.04 -0.01 -0.01 0.19 0.15 -0.10 -0.08 0.09 -0.03 0.07 0.02 0.04 0.16 -0.05 0.10 0.06 -0.03 0.07 -0.19 0.08 -0.17 -0.01 -0.07 0.30 0.05 -0.00 -0.01 0.01 0.27 0.24 0.19 0.21 0.08 -0.11 -0.24 -0.08 0.14 -0.16 -0.13 -0.12 -0.26 0.17 0.00 0.21 -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.02 0.01 -0.01 0.00 -0.00 0.00 -0.02 0.06 0.04 -0.02 -0.01 -0.03 0.03 -0.03 0.00 -0.02 -0.01 -0.07 -0.01 -0.00 0.02 0.03 0.00 0.03 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.03 0.02 0.02 0.06 0.02 -0.03 -0.03 -0.01 0.02 -0.04 -0.03 -0.02 0.01 -0.00 -0.01 -0.02 -0.01 0.00 -0.01 0.00 0.01 0.04 0.07 -0.00 -0.05 0.04 0.14 0.08 -0.03 -0.02 0.03 -0.00 -0.09 -0.10 0.08 0.03 -0.04 -0.02 -0.02 -0.03 -0.04 -0.06 0.03 -0.05 -0.07 -0.01 -0.04 0.11 -0.04 0.06 0.03 0.04 -0.09 -0.01 -0.00 -0.01 -0.03 0.30 0.24 0.22 0.43 0.16 -0.23 -0.32 -0.11 0.18 -0.34 -0.27 -0.23 0.10 -0.06 0.00 -0.07 0.04 0.05 0.00 0.00 0.00 0.01 0.00 -0.01 -0.06 0.04 -0.03 0.05 -0.04 0.04 0.01 0.01 -0.08 -0.10 -0.01 0.05 0.02 0.03 -0.09 0.08 -0.02 0.04 0.04 -0.00 0.02 -0.07 -0.04 -0.00 -0.03 -0.01 -0.01 0.05 -0.00 0.01 0.07 0.03 0.00 0.01 0.01 0.00 0.02 0.01 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 -0.02 0.00 0.04 0.00 0.00 0.00 -0.02 0.01 0.00 -0.23 0.19 0.19 0.08 -0.04 -0.21 -0.09 0.08 -0.09 0.03 -0.01 0.13 0.19 -0.14 -0.01 -0.01 0.01 -0.13 0.03 0.04 -0.05 0.01 -0.02 0.09 0.05 0.01 -0.04 0.09 -0.08 0.05 -0.05 -0.05 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.00 0.01 -0.11 -0.05 0.04 -0.10 -0.07 -0.04 0.44 -0.31 0.09 -0.41 0.21 0.24 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.01 0.03 -0.03 0.13 0.08 0.01 0.00 -0.10 0.07 -0.06 0.04 -0.07 -0.12 -0.03 0.06 0.06 0.01 0.02 0.03 0.01 -0.03 -0.02 -0.00 -0.06 -0.04 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.02 0.01 0.01 0.02 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.26 0.49 0.36 -0.06 0.05 -0.09 0.10 0.05 -0.22 0.23 -0.06 0.05 0.05 -0.04 0.09 0.06 -0.38 -0.15 -0.05 -0.09 -0.05 0.02 -0.04 -0.13 -0.07 -0.04 0.12 -0.05 0.02 -0.05 0.03 0.07 0.02 0.02 -0.01 -0.04 0.00 0.00 0.01 0.04 0.01 -0.02 0.10 0.04 -0.03 0.09 0.06 0.03 -0.17 0.12 -0.03 0.14 -0.08 -0.07 0.00 0.00 0.00 0.02 0.01 -0.02 0.04 -0.07 0.17 -0.05 0.05 -0.09 -0.03 0.01 0.05 -0.07 -0.02 0.02 0.01 0.02 -0.04 0.05 0.01 0.02 0.07 -0.03 0.02 -0.12 -0.08 0.04 -0.05 0.00 -0.01 -0.04 0.10 -0.05 0.10 0.05 0.01 0.01 0.01 0.00 0.03 0.01 -0.01 -0.02 -0.02 -0.02 -0.04 -0.01 0.02 0.09 -0.04 -0.09 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.18 0.14 0.13 0.09 -0.05 -0.12 -0.08 0.06 -0.04 -0.04 0.01 0.07 0.14 -0.10 -0.03 -0.11 0.20 -0.19 0.03 0.05 -0.12 0.03 -0.07 0.12 0.10 -0.01 0.01 -0.11 0.26 0.07 0.04 -0.38 -0.09 -0.03 0.02 0.05 -0.03 -0.03 -0.03 -0.03 -0.01 0.02 -0.13 -0.05 0.03 -0.14 -0.10 -0.05 -0.24 0.18 -0.13 0.32 -0.16 -0.20 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.07 0.09 -0.11 -0.09 0.06 -0.04 0.08 -0.03 -0.10 -0.02 -0.05 -0.02 0.01 0.01 0.00 0.01 0.02 0.00 0.01 -0.03 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.01 0.05 -0.07 0.05 -0.01 0.01 0.06 -0.02 -0.02 -0.02 0.03 0.01 -0.02 0.03 0.01 -0.02 -0.02 -0.02 -0.02 -0.02 0.01 0.03 -0.01 0.01 0.05 0.03 -0.07 0.21 -0.12 0.11 0.12 0.07 -0.03 -0.03 -0.07 0.01 0.06 -0.09 0.02 0.03 0.05 -0.01 -0.06 -0.19 0.37 0.19 -0.03 -0.01 0.03 0.01 -0.01 -0.02 -0.01 -0.02 0.06 -0.17 0.33 -0.04 0.17 -0.18 0.06 0.05 -0.01 -0.09 0.00 -0.01 -0.01 0.02 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.03 -0.03 0.03 0.51 -0.32 -0.05 0.00 -0.00 -0.00 0.00 0.01 0.01 0.04 -0.02 -0.01 0.07 -0.06 0.06 -0.03 -0.00 0.11 -0.01 -0.06 -0.02 0.01 0.02 0.00 0.01 0.02 0.00 -0.01 -0.03 -0.04 0.01 -0.01 -0.06 0.04 0.02 0.00 -0.02 -0.02 -0.00 -0.04 0.07 0.25 -0.10 -0.09 -0.11 0.13 0.03 -0.11 0.13 0.03 -0.11 -0.10 -0.09 -0.12 -0.01 0.01 -0.02 -0.04 0.07 0.25 -0.02 0.05 -0.15 -0.14 0.14 0.15 0.07 -0.02 -0.02 -0.08 0.00 0.07 -0.09 0.02 0.03 0.05 -0.01 -0.07 -0.09 0.26 0.44 -0.05 -0.07 0.04 0.01 0.02 -0.09 -0.07 -0.02 0.08 -0.11 0.15 -0.02 -0.04 0.17 0.02 0.04 -0.01 -0.10 0.04 0.01 -0.02 -0.07 -0.04 -0.01 0.01 -0.01 -0.05 0.02 -0.01 -0.04 -0.17 0.12 -0.04 -0.31 0.20 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 -0.02 0.03 -0.03 0.03 -0.01 -0.01 0.06 -0.01 -0.09 -0.03 0.01 0.02 0.01 0.01 0.02 0.00 -0.00 -0.06 -0.05 0.01 0.03 0.03 0.03 0.04 -0.00 0.00 -0.03 -0.01 0.00 -0.03 -0.07 0.04 0.04 0.04 -0.06 -0.01 0.04 -0.04 -0.01 0.04 0.04 0.03 0.04 -0.01 0.01 -0.02 0.02 -0.03 -0.11 -0.00 0.02 -0.07 -0.22 0.25 0.24 0.12 -0.04 -0.02 -0.11 -0.00 0.11 -0.14 0.03 0.04 0.06 0.00 -0.09 -0.20 0.45 0.48 -0.07 -0.08 0.05 0.03 -0.01 -0.07 -0.06 -0.05 0.14 -0.12 0.22 0.01 0.04 0.02 0.01 0.02 -0.01 -0.05 -0.08 -0.06 -0.04 0.13 0.05 -0.06 -0.06 -0.01 0.06 0.06 0.05 0.06 -0.09 0.07 -0.03 -0.15 0.10 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.08 -0.03 0.03 -0.05 -0.01 0.03 -0.08 0.01 -0.03 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.05 0.01 -0.10 0.00 -0.02 0.02 0.06 0.02 0.01 -0.02 0.07 -0.03 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 0.02 -0.00 0.01 0.02 0.00 -0.01 0.05 -0.08 0.11 0.11 0.05 -0.01 0.00 -0.04 -0.01 0.06 -0.02 0.01 0.01 0.01 0.00 -0.02 0.19 -0.15 0.65 -0.07 -0.10 0.09 0.00 0.05 -0.10 -0.14 -0.03 0.11 0.25 -0.46 0.02 -0.12 0.03 -0.05 -0.01 0.01 0.05 0.03 0.03 0.02 -0.08 -0.02 0.04 0.05 0.02 -0.03 -0.05 -0.04 -0.03 0.18 -0.13 0.04 0.07 -0.05 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.01 0.02 0.00 -0.01 0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 0.01 0.00 0.01 0.02 -0.03 -0.10 -0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.04 -0.02 0.02 0.04 0.03 0.01 -0.01 0.01 -0.01 -0.01 0.02 0.08 0.00 0.00 -0.01 -0.03 0.04 0.03 0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.02 0.00 0.00 0.01 0.00 -0.01 -0.06 0.09 -0.02 0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.03 -0.06 0.03 -0.09 -0.00 -0.02 -0.01 0.01 0.33 0.26 0.24 -0.41 -0.15 0.22 0.42 0.14 -0.24 -0.30 -0.24 -0.23 -0.04 0.03 -0.01 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.01 0.07 -0.06 0.08 0.02 -0.00 -0.05 -0.06 0.07 -0.13 0.00 -0.03 -0.02 0.00 0.00 0.01 0.00 0.01 0.00 0.02 -0.04 0.05 0.06 0.05 -0.02 -0.02 -0.00 0.01 -0.02 -0.05 -0.06 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.05 -0.06 0.13 0.00 0.01 0.01 -0.06 0.03 0.03 -0.06 0.08 0.06 0.02 -0.01 0.01 -0.02 0.00 0.02 -0.07 0.01 -0.00 0.01 0.02 -0.03 -0.26 0.33 -0.30 0.03 -0.01 -0.13 -0.01 -0.04 -0.01 0.04 0.04 -0.08 -0.07 0.11 0.16 -0.21 0.64 0.00 0.09 -0.01 -0.19 0.06 0.04 0.04 -0.02 -0.01 0.01 0.08 0.03 -0.04 0.01 0.00 -0.01 0.03 -0.04 0.15 0.06 -0.03 -0.05 0.00 0.00 -0.00 0.00 0.01 -0.00 0.02 0.02 -0.02 0.04 -0.03 -0.00 -0.02 0.02 -0.03 -0.02 0.05 0.04 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.03 -0.06 -0.09 -0.05 0.03 0.03 0.00 0.01 0.04 -0.07 -0.01 0.04 0.02 -0.01 0.02 0.02 0.01 0.00 -0.00 -0.01 -0.03 -0.02 -0.01 0.01 0.01 0.02 0.03 -0.03 0.06 -0.00 -0.00 0.00 -0.05 0.03 0.00 0.12 -0.18 -0.14 -0.03 0.00 -0.02 0.04 0.01 -0.06 0.12 -0.01 0.01 0.00 -0.05 0.06 0.27 -0.32 0.35 -0.02 -0.04 0.04 -0.00 0.04 -0.03 -0.07 -0.00 0.02 -0.29 0.60 0.08 -0.06 0.15 0.00 0.06 -0.01 -0.12 -0.04 -0.03 -0.03 -0.07 -0.02 0.03 0.01 -0.00 -0.03 -0.09 -0.06 -0.05 -0.13 0.07 0.05 0.06 -0.03 -0.07 -0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.02 -0.00 0.10 -0.11 0.08 -0.02 0.04 -0.04 0.06 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.01 0.03 0.03 -0.07 -0.05 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 -0.06 0.07 -0.13 -0.00 0.00 0.01 0.15 -0.10 -0.02 0.04 -0.07 -0.06 -0.01 -0.00 -0.01 0.01 0.01 -0.02 0.04 -0.00 0.01 0.01 -0.02 0.02 0.01 -0.00 0.05 0.03 -0.04 -0.11 -0.03 0.02 -0.08 -0.04 0.06 -0.09 -0.08 0.24 0.25 -0.11 0.51 0.01 0.19 -0.03 -0.36 0.01 0.01 -0.00 -0.04 -0.02 0.02 0.04 0.01 -0.03 -0.03 -0.03 -0.03 0.35 -0.20 -0.10 -0.21 0.09 0.22 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.02 -0.01 -0.02 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.03 -0.02 0.02 -0.02 0.01 0.02 -0.13 0.01 -0.03 -0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.02 -0.01 0.00 -0.03 0.07 0.04 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.04 0.00 -0.01 -0.01 0.03 -0.02 0.04 -0.10 -0.11 -0.22 0.01 0.47 0.18 -0.01 0.54 -0.04 -0.29 0.39 -0.02 0.06 0.10 -0.01 0.21 0.01 -0.11 0.01 0.20 -0.01 -0.02 -0.02 0.00 0.00 -0.01 0.03 0.01 -0.03 -0.02 -0.02 -0.03 0.03 -0.02 -0.00 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.03 -0.02 -0.01 -0.04 0.02 0.01 0.01 -0.00 -0.01 0.01 -0.01 0.02 0.03 -0.04 -0.03 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.02 0.01 -0.04 0.04 -0.05 -0.00 -0.01 0.05 0.02 -0.03 -0.00 -0.01 0.02 0.09 0.10 0.05 -0.01 -0.08 -0.05 -0.02 -0.09 -0.05 -0.02 0.09 0.04 -0.01 0.02 -0.00 -0.02 -0.01 0.02 0.08 -0.00 0.00 0.01 -0.09 0.16 0.13 0.03 0.01 0.06 -0.04 -0.03 0.07 -0.10 0.01 -0.02 -0.02 0.07 -0.04 0.08 -0.14 -0.05 0.10 -0.00 -0.21 -0.08 0.01 -0.20 0.01 0.12 -0.18 0.01 -0.00 0.05 -0.05 0.17 0.02 -0.25 0.04 0.49 -0.15 -0.16 -0.20 0.21 0.04 -0.19 0.18 0.03 -0.18 -0.15 -0.15 -0.20 -0.02 0.02 -0.03 0.04 -0.02 -0.02 -0.00 0.00 0.00 0.03 -0.02 -0.01 -0.03 0.02 0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 0.05 -0.06 -0.05 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.02 0.04 0.02 -0.06 0.04 0.00 -0.00 -0.01 0.03 0.04 -0.05 -0.01 0.02 -0.02 -0.07 -0.08 -0.03 0.02 0.08 0.05 0.01 0.07 0.04 0.01 -0.08 -0.04 0.01 0.01 -0.00 -0.02 0.01 -0.02 -0.06 0.00 -0.00 0.01 -0.15 0.27 0.21 0.05 0.03 0.11 -0.07 -0.05 0.13 -0.14 0.01 -0.03 -0.04 0.10 -0.05 0.16 -0.31 -0.09 0.08 0.01 -0.14 -0.07 0.06 -0.10 -0.04 0.07 -0.10 -0.06 0.16 0.07 -0.09 0.21 0.00 -0.22 0.02 0.41 0.11 0.11 0.16 -0.19 -0.05 0.17 -0.16 -0.03 0.15 0.11 0.11 0.16 -0.01 0.01 -0.03 0.03 -0.02 -0.01 -0.00 0.00 0.00 0.03 -0.03 -0.02 -0.02 0.01 0.02 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.06 0.07 0.07 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.05 -0.07 -0.06 -0.02 0.08 -0.02 -0.01 0.02 0.01 0.01 -0.03 -0.01 0.00 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.01 0.01 0.02 0.01 0.01 -0.02 -0.01 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.17 -0.32 -0.25 -0.07 -0.03 -0.13 0.08 0.07 -0.15 0.17 -0.01 0.04 0.04 -0.11 0.06 -0.15 0.36 0.21 -0.04 -0.04 -0.01 0.06 -0.12 -0.04 0.08 0.01 0.01 0.03 -0.06 0.04 -0.05 0.19 0.01 -0.29 0.04 0.55 0.05 0.03 0.05 -0.02 -0.00 0.03 -0.01 0.00 0.03 0.04 0.04 0.04 0.01 0.00 -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 0.01 -0.01 0.05 0.05 -0.03 0.03 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.13 -0.16 -0.43 0.12 0.29 -0.33 -0.45 -0.06 -0.23 -0.18 0.47 -0.15 0.02 -0.02 0.04 0.01 0.01 -0.00 -0.00 -0.00 -0.03 0.01 0.01 -0.01 -0.02 0.04 -0.02 0.01 -0.03 0.00 -0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.02 0.01 0.02 0.00 0.00 -0.00 0.02 -0.02 -0.01 0.26 -0.15 -0.09 -0.11 0.07 0.02 -0.02 0.03 -0.06 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.05 0.02 -0.02 -0.01 -0.00 0.01 -0.09 0.04 0.02 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 -0.14 0.07 0.11 -0.00 -0.00 0.00 0.09 -0.05 -0.02 -0.02 0.04 0.03 0.04 0.05 0.13 -0.04 -0.09 0.11 0.09 0.02 0.05 0.04 -0.10 0.03 0.05 -0.08 0.02 0.07 0.10 0.01 -0.03 -0.03 -0.15 0.15 0.01 -0.02 -0.22 0.30 -0.01 0.34 -0.24 0.07 -0.19 0.03 0.39 -0.02 -0.02 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.18 -0.16 0.17 -0.21 0.10 0.17 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.03 -0.02 0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 -0.05 0.00 -0.05 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.04 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.03 0.10 0.11 -0.03 -0.09 0.13 -0.04 -0.02 -0.04 0.06 0.10 -0.09 0.65 0.67 0.12 0.11 0.00 -0.01 -0.03 0.02 0.01 0.01 -0.01 -0.02 0.02 0.02 0.01 -0.01 0.02 0.02 0.01 0.01 0.01 -0.02 0.07 -0.03 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.03 0.02 -0.01 0.00 -0.01 0.00 -0.04 0.01 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 0.02 0.03 0.03 0.07 -0.03 -0.05 0.06 -0.06 -0.01 -0.03 -0.02 0.06 -0.02 0.02 -0.06 0.05 -0.05 0.18 0.39 0.13 -0.42 -0.35 0.67 0.00 -0.03 0.01 -0.01 0.05 0.01 0.06 0.00 0.03 -0.00 -0.05 0.01 0.01 0.01 -0.00 0.01 -0.00 0.02 0.01 -0.01 0.02 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.03 -0.02 -0.02 -0.00 -0.01 0.06 -0.04 0.03 -0.02 -0.01 -0.02 0.00 0.00 0.01 -0.00 -0.01 -0.04 -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 0.01 0.00 -0.01 0.01 0.00 0.01 0.02 -0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.03 0.08 0.05 -0.08 -0.12 -0.25 0.08 0.18 -0.18 0.21 0.04 0.11 0.08 -0.23 0.05 -0.02 -0.01 0.03 0.32 0.46 0.08 -0.25 0.33 -0.18 0.18 -0.20 0.27 -0.01 0.01 -0.09 -0.13 0.02 -0.02 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.01 -0.02 -0.01 -0.01 -0.02 0.01 -0.00 -0.02 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.05 0.04 0.04 0.00 0.01 -0.09 0.06 -0.04 0.03 0.01 -0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.03 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.05 -0.12 -0.09 0.10 0.17 0.36 -0.10 -0.26 0.24 -0.28 -0.07 -0.16 -0.11 0.32 -0.07 -0.03 0.07 0.05 0.25 0.32 -0.01 -0.21 0.33 -0.04 0.01 -0.17 0.23 -0.00 -0.01 -0.08 -0.10 0.01 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.03 0.02 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.01 -0.11 -0.06 -0.01 0.04 0.05 0.09 0.07 0.01 -0.08 0.12 0.03 -0.10 0.08 0.08 0.10 0.00 0.00 -0.00 -0.11 -0.06 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 0.02 -0.01 -0.02 0.02 -0.02 -0.00 -0.01 -0.00 0.02 -0.01 -0.03 0.05 -0.01 -0.03 -0.03 0.02 0.04 -0.07 -0.01 0.04 0.02 -0.02 0.03 -0.04 0.07 0.08 0.04 0.01 0.00 0.00 0.00 -0.33 -0.23 -0.15 -0.42 -0.17 0.16 -0.42 -0.16 0.19 -0.35 -0.25 -0.19 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.09 0.07 -0.07 -0.10 0.06 0.04 -0.14 0.10 -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 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.22 -0.17 0.09 0.00 0.00 0.00 0.21 -0.13 -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 -0.05 -0.09 -0.03 0.04 -0.05 0.02 -0.04 0.05 -0.06 0.07 -0.10 0.21 0.31 -0.07 0.06 -0.01 -0.00 0.02 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.46 0.30 0.03 -0.40 0.20 0.31 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 -0.01 -0.01 0.01 0.04 0.00 0.00 0.00 0.01 -0.00 -0.00 0.07 -0.09 -0.34 0.06 0.10 0.21 -0.15 -0.00 0.21 0.13 -0.01 -0.22 -0.05 -0.11 -0.23 -0.00 0.00 -0.00 -0.06 0.10 0.36 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.02 -0.00 0.01 0.01 -0.02 0.00 0.00 -0.01 0.05 -0.02 -0.04 -0.04 -0.02 0.00 0.00 0.00 -0.27 -0.16 -0.01 0.36 0.18 -0.05 -0.27 -0.15 -0.02 0.28 0.14 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.03 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.20 -0.11 -0.02 0.26 0.17 0.10 0.28 0.12 -0.07 -0.24 -0.11 0.05 -0.22 -0.14 -0.07 -0.00 0.00 0.00 0.11 0.06 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 -0.01 0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.26 -0.23 -0.27 -0.35 -0.10 0.26 0.21 0.04 -0.21 0.16 0.16 0.22 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.04 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.03 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.84 0.49 -0.17 -0.04 0.03 -0.01 -0.06 -0.03 0.01 0.00 -0.07 -0.04 -0.04 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.02 -0.01 0.37 -0.28 0.13 -0.49 -0.28 0.11 0.02 0.57 0.34 -0.02 -0.01 0.00 0.01 0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 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 -0.06 -0.03 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.00 0.04 -0.03 0.02 -0.08 -0.04 0.02 -0.00 -0.05 -0.03 0.80 0.40 -0.11 -0.08 -0.06 0.39 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -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 -0.09 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.05 0.03 -0.01 -0.43 0.30 -0.17 0.34 0.17 -0.08 0.02 0.61 0.38 0.12 0.06 -0.02 0.01 0.01 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.09 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.02 -0.02 -0.01 0.08 0.05 -0.02 0.51 -0.40 0.20 0.60 0.35 -0.15 -0.02 0.11 0.06 0.03 0.02 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.05 -0.02 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.03 0.01 0.03 0.07 -0.03 -0.03 -0.06 -0.06 0.00 0.63 -0.07 -0.60 -0.38 -0.27 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.03 -0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.03 0.01 0.01 0.01 0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.50 0.37 -0.09 0.17 0.36 -0.16 -0.25 -0.42 -0.42 -0.00 -0.06 0.01 0.02 0.01 0.01 0.04 0.02 -0.01 0.00 -0.00 0.00 0.03 0.02 -0.01 0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.04 0.01 -0.00 0.00 -0.04 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.59 0.45 -0.10 -0.16 -0.34 0.15 0.19 0.32 0.32 0.00 0.01 0.00 -0.11 -0.07 -0.05 0.03 0.02 -0.01 0.01 -0.01 0.01 0.03 0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 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 0.04 0.02 -0.08 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 -0.02 -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 -0.01 -0.00 0.00 -0.02 0.01 -0.01 0.03 0.02 -0.01 0.00 0.08 0.05 -0.33 -0.17 0.03 -0.17 -0.11 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.06 -0.11 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.02 -0.03 -0.07 -0.00 -0.00 -0.00 -0.02 0.00 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.03 -0.02 0.01 0.00 0.00 0.00 -0.03 -0.01 0.00 -0.03 -0.02 0.13 -0.00 0.00 -0.00 0.01 -0.00 -0.02 0.26 0.41 0.76 0.01 0.02 0.04 0.23 0.00 -0.33 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.03 -0.00 -0.04 -0.09 -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 0.06 0.04 -0.01 -0.10 -0.20 0.09 -0.05 -0.09 -0.09 -0.01 0.74 -0.09 0.48 0.28 0.22 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.03 0.00 0.00 0.00 -0.02 -0.04 -0.07 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.24 0.00 -0.35 -0.01 -0.02 -0.03 0.28 0.41 0.75 -0.02 -0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.03 -0.00 -0.00 -0.00 0.05 0.00 -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.03 -0.00 0.00 -0.00 -0.04 -0.00 0.06 0.12 0.18 0.33 0.01 0.01 0.01 -0.52 -0.01 0.74 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 0.05 0.00 -0.06 0.00 0.00 0.00 -0.01 -0.02 -0.03 -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 -0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.51 -0.01 0.74 -0.01 -0.01 -0.03 0.13 0.20 0.35 0.04 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 -0.01 -0.00 0.00 -0.04 -0.08 -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 0.06 0.04 -0.01 0.30 0.64 -0.31 0.22 0.36 0.38 -0.00 0.21 -0.03 0.14 0.08 0.07 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.07 -0.00 -0.00 0.00 -0.02 0.02 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.14 -0.10 0.83 0.16 -0.21 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 0.00 -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 0.05 0.00 -0.00 -0.00 -0.02 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.09 0.06 -0.51 0.26 -0.34 0.73 0.00 0.00 -0.00 0.03 -0.05 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.51 0.77 -0.38 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 17 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 291.11384 0.9789 -0.20426 0.0056 0.20423 0.97891 0.00451 -0.0064 -0.00327 0.99997 asymmetric 1 0.01531 0.01333 0.00855 0.31895 0.27768 0.17809 817148.8 41.19 48.97 57.01 98.00 98.39 127.44 182.88 208.58 238.14 276.36 289.30 363.55 388.33 414.39 437.18 471.77 482.14 492.70 540.89 552.78 611.62 641.00 701.01 730.37 781.35 868.27 909.70 921.27 935.15 955.33 993.46 1067.92 1074.36 1103.75 1135.30 1196.27 1199.13 1209.65 1225.88 1229.06 1288.82 1299.00 1342.05 1351.14 1382.48 1402.48 1412.81 1436.41 1460.12 1475.23 1486.95 1503.26 1511.25 1531.72 1539.17 1587.64 1610.96 1618.27 1634.88 1655.39 1681.07 1714.50 1718.47 1747.25 1753.33 1770.64 1774.44 1785.47 1883.37 1891.90 1898.81 1911.89 1915.32 1950.85 1977.27 1988.49 2037.39 2054.20 2055.60 2061.44 2118.51 2119.81 2143.90 2165.48 2174.97 2180.34 2189.55 2213.18 2314.78 2351.64 4336.16 4359.91 4416.72 4448.69 4461.21 4473.69 4496.27 4504.17 4518.89 4571.64 4590.41 4591.98 4603.14 4617.91 4628.53 4672.07 4678.42 5217.33 0.311236 0.329382 0.330326 0.263478 -1282.045428 -1282.027281 -1282.026337 -1282.093186 206.691 70.589 140.695 0.000 0.000 0.000 0.889 2.981 42.903 0.889 2.981 34.276 204.913 64.628 63.515 1 0.593 1.984 5.922 2 0.594 1.983 5.579 3 0.594 1.981 5.278 4 0.598 1.969 4.207 5 0.598 1.969 4.199 6 0.601 1.957 3.691 7 0.611 1.926 2.989 8 0.616 1.908 2.737 9 0.624 1.885 2.486 10 0.634 1.851 2.208 11 0.638 1.838 2.123 12 0.664 1.758 1.712 13 0.674 1.729 1.597 14 0.685 1.696 1.486 15 0.695 1.666 1.396 16 0.711 1.620 1.270 17 0.716 1.605 1.235 18 0.722 1.591 1.201 19 0.747 1.521 1.055 20 0.753 1.504 1.023 21 0.787 1.416 0.875 22 0.805 1.371 0.809 23 0.843 1.278 0.691 24 0.863 1.233 0.639 25 0.898 1.155 0.559 26 0.962 1.024 0.444 0.926838e+22 21.967004 50.580896 0.686981e+07 6.836945 15.742647 0.100000e+01 0.000000 0.000000 0.195231e+09 8.290548 19.089693 0.691052e+07 6.839511 15.748556 4 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1282.3566637 1.143E-9 5.29E-6 0.3112356 0.3293823 -1282.0272814 -1282.0263372 -1282.0931858 -5.4638765,-4.1109266,9.5748031,2.2423963,3.5139494,1.8339115 C01 [X(C15H18Cl1N3O1)] 0.8664477 -0.116914 0.9203084 -0.7677901 -0.3453578 -0.0393521 -0.3389464 -0.2348753 -0.0233392 -0.0382954 -0.0247019 -0.0849797 -0.6276354 -0.0307824 0.0589354 -0.0270556 -0.7571801 0.1364081 0.1027812 0.1401622 -0.6880432 -0.3547924 0.268548 -0.1097577 0.2600567 -0.4532255 0.0419881 -0.2051356 0.1738832 -0.1149493 -0.3676833 0.1751374 0.1343295 0.0959546 -0.3645206 -0.0161498 0.2805155 -0.293008 -0.2623419 -0.4447836 0.2640523 -0.0097523 0.1512445 -0.5204516 0.0536133 -0.0728132 0.1872278 -0.4820751 -0.1089858 0.1144532 0.0860228 0.0521459 0.0389862 -0.0388662 0.0748523 -0.0427307 -0.0026147 0.1493911 -0.053007 0.0416335 -0.0193502 0.0897208 0.0272099 0.0403777 0.0289783 -0.1252946 -0.0573935 0.118435 -0.043661 0.1657836 0.0011976 0.030458 -0.121922 0.0963818 0.0307556 0.1027849 -0.0681937 -0.010187 -0.2274195 0.0707864 0.0211811 0.1074558 -0.0603329 0.1754079 0.4227961 0.1377901 -0.0554536 0.2115741 0.541386 -0.0841645 -0.2006533 -0.0927019 0.4191172 0.027492 0.0606758 -0.0134553 0.1073913 0.05287 0.0447555 0.0099439 0.0519028 -0.0474976 0.3059331 -0.218719 0.0826757 -0.1376133 0.3792979 -0.1030999 0.116528 -0.1237971 0.1276522 0.051885 0.0504642 0.0379243 0.0440717 -0.1522282 0.0116679 0.0348899 0.0089467 -0.1084146 -0.0477978 -0.0172134 -0.0606611 0.025773 -0.0780788 -0.0001597 0.0024822 0.0579568 0.0010889 -0.0245804 0.0484205 0.0163135 0.0380692 -0.07831 0.0493969 -0.0298705 0.0292259 0.0154907 -0.2504435 -0.0576153 0.0665368 -0.0587293 -0.1083863 0.0677837 0.0348546 0.0441526 0.0427341 -0.2270299 -0.0907373 -0.0999814 -0.0987014 -0.1464734 -0.0098658 -0.115335 -0.0261925 0.0023585 0.4105274 -0.4490304 0.016513 -0.2575715 0.3705097 -0.0618037 0.0298536 -0.0096135 0.1590478 1.070494 0.5337233 0.0476333 0.5339194 0.2361915 0.0436666 0.0770409 0.0589949 0.0442815 0.2008554 -0.1056723 -0.0825548 -0.1040612 0.1193982 -0.0705369 -0.087636 -0.1044733 0.4654218 -0.0670345 -0.0493946 0.0506795 -0.0745937 -0.0109634 -0.0229367 0.083592 -0.0410869 0.0121898 0.0771805 -0.0548049 -0.0091316 -0.0856292 -0.0037431 0.0661419 -0.0154231 0.013052 0.0067281 0.055285 -0.0499394 -0.0703726 -0.0372993 0.0062706 -0.0664416 -0.0194877 -0.048503 -0.0684737 0.0153877 0.0109635 -0.019238 0.0685763 -0.1288634 0.026764 -0.0218216 0.0098475 0.0701879 -0.0543778 -0.0063821 -0.0689007 -0.0678417 -0.0021152 -0.0318738 -0.1014919 0.0024306 0.0347165 -0.151964 -0.0894765 0.0019739 -0.0200283 -0.0043891 0.0129264 0.0111182 0.0179583 0.0046141 -0.0623427 0.0871294 -0.0808616 0.0971394 -0.0183137 0.0677689 -0.0398377 0.038245 0.0558451 -0.0524278 -0.0828296 0.0626274 -0.1021724 0.0207913 -0.0077996 0.0228949 -0.005417 0.0426908 0.0679675 -0.0058549 0.0311808 -0.0123126 -0.1054447 -0.1339733 0.0450957 -0.116799 -0.0524808 -0.0983289 0.0173178 -0.0381857 -0.0540279 -0.0299974 0.0052905 0.0044012 0.0386244 0.0709786 0.0560431 0.0281237 0.0733647 0.0294545 0.0630973 0.0136568 0.0168831 0.0337368 -0.0562836 0.3093658 -0.0831284 -0.029056 -0.0754952 0.5678665 -0.002728 -0.0368669 0.0115482 0.2497305 0.0869144 -0.0022572 0.0573973 -0.0115724 0.121432 -0.0040789 0.0501148 -0.0096294 0.030548 0.0522696 -0.0461871 -0.0458296 -0.0570919 0.0700124 -0.0778155 -0.060401 -0.0911892 -0.0309022 0.0665672 -0.0415962 -0.0312317 -0.0445619 0.0924959 -0.050721 -0.031955 -0.0535666 0.0048622 0.0345426 -0.0279872 0.0604742 -0.0226965 0.116729 -0.0114012 0.0619559 -0.0062523 0.0135521 0.1045662 0.0242292 -0.0002559 0.025973 0.1369747 0.0619784 -0.0050238 0.0658894 0.026567 0.0971428 0.0367031 -0.0083357 0.0276444 0.1015458 0.0350993 -0.0036618 0.0408501 0.0177841 233.730248|1.0148628|192.5372676|-0.5329658|4.9276429|186.459633 -0.000009121 -0.000003636 -0.000000090 0.000004781 -0.000012941 0.000002908 -0.000012780 0.000007842 0.000004575 -0.000010806 -0.000013811 -0.000001961 -0.000000831 -0.000006701 -0.000005431 0.000004805 0.000003903 -0.000005950 -0.000003852 -0.000002409 0.000007322 -0.000004012 -0.000003781 0.000000818 -0.000008281 0.000000575 -0.000006027 0.000001975 -0.000002265 0.000005354 0.000000319 0.000003113 -0.000005228 0.000005016 0.000002367 -0.000010097 0.000007113 -0.000001706 -0.000008672 0.000003814 0.000002272 0.000007936 -0.000004696 0.000000433 0.000000967 -0.000010986 -0.000005793 -0.000000686 -0.000006914 -0.000000355 0.000005838 0.000009031 0.000001303 -0.000011667 0.000015920 0.000007204 -0.000003035 0.000017278 0.000006532 0.000012912 -0.000001807 -0.000001152 -0.000001470 0.000000929 0.000000372 0.000001635 -0.000000460 -0.000000698 0.000001955 -0.000000814 0.000000485 0.000002132 -0.000001797 0.000003472 -0.000000208 0.000003593 -0.000000024 0.000000198 0.000000243 0.000000502 0.000003387 0.000001240 -0.000000370 0.000003159 -0.000001041 0.000001448 0.000003001 -0.000000047 0.000001974 0.000002845 0.000005029 0.000003483 0.000003260 -0.000002945 0.000007153 -0.000005069 0.000001208 0.000000013 -0.000001801 -0.000000737 -0.000000151 0.000000135 0.000001091 0.000000298 0.000000927 0.000001301 0.000001661 -0.000000502 -0.000002947 0.000000153 -0.000001137 0.000000185 -0.000000764 -0.000002230 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 9-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RS/gas/CONF4/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction cyproconazole_RS CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.1045625359 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457484861 0.000000 6.718914 0.000000 6.660419 2.951091 0.000000 6.947125 2.805155 1.359596 0.000000 6.786387 4.819478 2.195666 2.257811 0.000000 6.622527 2.896942 5.049831 5.443085 7.036658 0.000000 7.433295 3.027950 5.755219 5.824141 7.708594 1.503954 0.000000 7.932469 4.009948 6.348033 6.694891 8.416226 1.511923 1.510106 0.000000 6.816337 2.370791 3.860018 4.475919 5.965735 1.520032 2.641462 2.616403 0.000000 6.090102 1.426343 2.500255 3.008036 4.517934 2.552623 3.370548 3.900364 1.564488 0.000000 6.947403 3.777928 4.403907 5.353590 6.394643 2.489765 3.870117 3.310817 1.536182 2.614111 0.000000 6.837951 2.406667 1.458099 2.454469 3.619000 3.909201 4.751310 5.112684 2.549309 1.551734 3.043272 0.000000 4.557544 2.438384 2.948468 3.434439 4.427422 3.015662 3.957666 4.525751 2.569601 1.533127 3.208652 2.545998 0.000000 4.022372 2.768883 3.901928 3.956426 5.059566 3.334405 3.882428 4.755698 3.453152 2.533787 4.321256 3.741678 1.397566 0.000000 4.020110 3.735687 3.284668 4.101507 4.397261 3.922003 5.107772 5.392235 3.347752 2.569104 3.352986 3.006077 1.399161 2.398385 0.000000 2.729563 4.151031 4.874424 4.940945 5.597655 4.396128 4.972791 5.758180 4.659553 3.826866 5.282781 4.892815 2.431589 1.392054 2.779984 0.000000 2.727191 4.856491 4.392630 5.059369 5.001911 4.862823 5.988188 6.300507 4.583535 3.852440 4.520795 4.352914 2.435035 2.783620 1.392834 2.418096 0.000000 6.558145 4.231513 1.348660 2.205334 1.321885 6.124814 6.959872 7.483763 4.934161 3.622441 5.189590 2.541201 3.662056 4.599437 3.518845 5.277859 4.360671 0.000000 1.759407 5.009067 5.067723 5.410953 5.562718 5.049821 5.918863 6.449512 5.113072 4.330754 5.354739 5.127543 2.798141 2.400920 2.398974 1.390574 1.390088 5.164990 0.000000 6.986548 4.055808 2.099002 1.324740 1.357467 6.616979 7.043585 7.933377 5.667889 4.154137 6.408563 3.499259 4.243289 4.652755 4.633394 5.356130 5.339289 2.094627 5.658578 0.000000 5.735751 3.442516 5.327093 5.765942 7.136879 1.086099 2.209264 2.210068 2.195516 2.909806 2.774166 4.318678 2.792978 2.929853 3.503866 3.720355 4.193529 6.250548 4.274555 6.817753 0.000000 8.034777 2.626893 5.471436 5.390562 7.440040 2.215697 1.081916 2.236798 2.813814 3.328065 4.215489 4.532808 4.215385 4.210054 5.470589 5.438396 6.473126 6.760749 6.446872 6.654654 3.089403 0.000000 7.190470 3.593619 6.372373 6.316858 8.172792 2.228722 1.083787 2.238038 3.534141 4.038701 4.714837 5.518135 4.304150 3.872640 5.464925 4.762145 6.139293 7.530822 5.827245 7.455659 2.491812 1.820734 0.000000 8.041387 4.955691 7.258594 7.632957 9.274228 2.239728 2.242041 1.083650 3.502547 4.775138 3.932012 6.037103 5.162868 5.265437 5.908312 6.074911 6.646524 8.333855 6.711327 8.833629 2.496090 3.126804 2.545079 0.000000 8.810970 4.303876 6.487029 6.886436 8.639841 2.233060 2.232119 1.085145 2.784697 4.196544 3.336299 5.159422 5.095267 5.519921 5.924064 6.620842 6.966165 7.652025 7.262358 8.169778 3.100477 2.528869 3.118650 1.820920 0.000000 7.851240 2.464803 4.076804 4.582903 6.264340 2.129274 2.749002 2.706211 1.096904 2.121777 2.153474 2.728493 3.458946 4.289275 4.307728 5.583973 5.600185 5.261016 6.126451 5.857083 3.067825 2.562537 3.785605 3.732406 2.490929 0.000000 7.704415 4.519795 5.435380 6.338333 7.465218 2.666871 3.927505 2.970153 2.154697 3.537613 1.092082 4.029315 4.169684 5.143489 4.347194 6.075267 5.414313 6.253975 6.181803 7.442077 3.021182 4.351097 4.792940 3.441481 2.817518 2.487054 0.000000 6.076898 4.195904 4.609597 5.602880 6.388790 2.777402 4.274303 3.773249 2.185090 2.905771 1.092760 3.443039 2.939440 4.006797 2.737514 4.726057 3.704749 5.206063 4.590514 6.525796 2.619302 4.795851 4.936144 4.192342 4.045166 3.073514 1.760413 0.000000 7.457186 4.123559 4.091853 5.193893 6.030424 3.466558 4.750954 4.250895 2.209264 2.914767 1.093055 2.746957 3.649187 4.927495 3.611830 5.903548 4.852337 4.754561 5.860996 6.180918 3.817017 4.918657 5.655068 4.938276 4.093186 2.511496 1.759162 1.773520 0.000000 7.886955 2.573130 2.086369 2.780496 4.192076 4.164453 4.807329 5.126272 2.757913 2.156150 3.347805 1.091870 3.471670 4.561128 4.060913 5.810109 5.424325 3.217689 6.158380 3.917526 4.800623 4.391872 5.683124 6.133563 4.966823 2.483261 4.154575 4.020962 2.943610 0.000000 6.817709 3.365474 2.051757 3.311821 3.902247 4.228684 5.313451 5.409655 2.806341 2.207366 2.705076 1.087590 2.867105 4.224637 2.833133 5.214365 4.159487 2.629070 5.176019 4.134777 4.517658 5.245291 6.107635 6.247494 5.419245 3.119461 3.710881 2.982896 2.142386 1.770283 0.000000 6.759270 0.973087 2.487172 1.974170 4.105309 3.840659 3.942717 4.981200 3.217891 1.959035 4.503607 2.452771 2.717926 2.972124 3.923585 4.257484 4.975142 3.729438 5.097709 3.192477 4.290297 3.472282 4.406159 5.918386 5.257146 3.287347 5.334784 4.861436 4.697847 2.649742 3.501497 0.000000 4.876028 2.376710 4.221064 3.996343 5.478562 3.225215 3.339182 4.485713 3.541956 2.703999 4.704453 4.029888 2.140312 1.081681 3.377368 2.146570 3.865294 5.115214 3.382677 4.813882 3.040214 3.533263 3.215324 5.046929 5.252313 4.184075 5.429546 4.594398 5.357998 4.648787 4.713615 2.611942 0.000000 4.854041 4.134819 3.174311 4.272233 4.352951 4.266380 5.572140 5.647601 3.387867 2.795325 3.008805 2.754203 2.162888 3.390675 1.083014 3.862656 2.126850 3.261111 3.368807 4.796609 3.994968 5.877957 6.089265 6.205620 6.011832 4.250552 4.024990 2.438748 2.976387 3.766193 2.206805 4.330276 4.286390 0.000000 2.865214 4.767464 5.745961 5.619683 6.340193 5.007793 5.331795 6.242847 5.478806 4.689135 6.213165 5.826923 3.412925 2.155788 3.862573 1.082599 3.396581 6.170458 2.147959 5.975243 4.319199 5.803221 4.909800 6.473488 7.174585 6.350096 6.937799 5.684148 6.895618 6.685978 6.233314 4.838478 2.483081 4.945178 0.000000 2.862984 5.829179 5.007274 5.800682 5.381933 5.722342 6.940102 7.111905 5.363673 4.724972 5.036025 5.008324 3.416442 3.866046 2.157287 3.397121 1.082441 4.729773 2.148345 5.945230 5.030484 7.451589 7.122601 7.403938 7.733148 6.374805 5.888720 4.129222 5.244042 6.082337 4.615883 5.927584 4.947725 2.452997 4.287154 0.000000 6.600589 4.901805 2.136491 3.233797 2.146542 6.378547 7.391149 7.723421 5.128816 4.025626 5.058748 2.875376 3.977804 5.067833 3.477154 5.642287 4.258689 1.078988 5.286719 3.151367 6.437132 7.292719 8.006740 8.518162 7.860727 5.523352 6.100969 4.978867 4.500744 3.589191 2.524964 4.555938 5.726293 2.938385 6.611358 4.404003 0.000000 7.427050 4.654663 3.138581 2.103224 2.151337 7.345205 7.608565 8.628518 6.513601 4.989113 7.370099 4.483226 5.031492 5.201280 5.512377 5.812812 6.094890 3.136941 6.224484 1.079033 7.544376 7.160495 7.926321 9.524905 8.896406 6.664163 8.386608 7.491139 7.197137 4.818204 5.187102 3.712979 5.227769 5.782324 6.270595 6.725468 4.164405 0.000000 C15H18ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3189524 0.2776801 0.1780916 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 556 RedAO= T EigKep= 1.07D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 8.88D-07 NBFU= 554 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.35666367992 -1282.35666367990 0.000000000012 -1282.35666368 2 1.277730091732e+03 -6.431735257619e+03 2.158589688157e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953844707 LenY= 4953512355 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. PT1775.600S Fri Jul 9 15:09:48 2021 GINC-PALADIO PAULAPLA 09-Jul-2021 0 Wavefunction cyproconazole_RS CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1282.3566637 RMSD=2.903e-10 Dipole=0.8664478,-0.1169139,0.9203084 Quadrupole=-5.4638765,-4.1109265,9.574803,2.2423963,3.5139494,1.8339116 PG=C01 [X(C15H18Cl1N3O1)] 0 -4.0992168047 -2.2860550783 -0.1946694937 0 1.8617371409 0.6412026531 -1.2154488569 0 0.3839119039 2.6007649289 0.423174108 0 0.3669816692 2.9909852152 -0.8791096521 0 -1.367610545 3.9114101896 0.2352147985 0 2.5139305075 -1.9486552976 -0.0931501005 0 3.2300864048 -2.0527998318 -1.4115402859 0 3.8223912392 -2.7008474143 -0.1828703335 0 2.4576680591 -0.644315818 0.6853293762 0 1.3901051451 0.3354895285 0.0954883032 0 2.2931056289 -0.9576448914 2.1801872955 0 1.3784937893 1.654000972 0.9135790327 0 -0.0055068338 -0.2968090711 0.0412331139 0 -0.458219062 -0.8688758679 -1.1508169247 0 -0.8436412906 -0.3554444215 1.1600464058 0 -1.7063278901 -1.4800510636 -1.2314689065 0 -2.096234373 -0.9613646155 1.0979358984 0 -0.6647599672 3.1575069771 1.0628684989 0 -2.5177061919 -1.5206064153 -0.1028786535 0 -0.7008359269 3.7727205245 -0.9390484796 0 1.6258268929 -2.563740911 0.0188927277 0 3.6932107653 -1.1517602892 -1.7912573786 0 2.8013961892 -2.6921886085 -2.1744298507 0 3.801391408 -3.7813394537 -0.1029115423 0 4.6999996848 -2.2392358513 0.2578764329 0 3.4129997202 -0.125280728 0.5399265423 0 3.0923800961 -1.6337564161 2.4911169711 0 1.3440256586 -1.4617400595 2.3783262901 0 2.3534038953 -0.0708045204 2.8163060364 0 2.3685569863 2.107979711 0.8370364506 0 1.1534581835 1.4861304513 1.9643079943 0 1.3866696963 1.4304518014 -1.5289700451 0 0.1818503443 -0.833941781 -2.0220949775 0 -0.5335814215 0.0705950378 2.1062354196 0 -2.0471707694 -1.9193123007 -2.1603908526 0 -2.7383309212 -0.9958715236 1.9686825202 0 -0.8698901289 2.989669243 2.1087975094 0 -1.0000979005 4.2557626089 -1.8563408159 Gaussian 16 9-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RS/gas/CONF4/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum cyproconazole_RS CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 576 A 556 A 556 881 576 77 77 1713.1045625359 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457484861 0.000000 6.718914 0.000000 6.660419 2.951091 0.000000 6.947125 2.805155 1.359596 0.000000 6.786387 4.819478 2.195666 2.257811 0.000000 6.622527 2.896942 5.049831 5.443085 7.036658 0.000000 7.433295 3.027950 5.755219 5.824141 7.708594 1.503954 0.000000 7.932469 4.009948 6.348033 6.694891 8.416226 1.511923 1.510106 0.000000 6.816337 2.370791 3.860018 4.475919 5.965735 1.520032 2.641462 2.616403 0.000000 6.090102 1.426343 2.500255 3.008036 4.517934 2.552623 3.370548 3.900364 1.564488 0.000000 6.947403 3.777928 4.403907 5.353590 6.394643 2.489765 3.870117 3.310817 1.536182 2.614111 0.000000 6.837951 2.406667 1.458099 2.454469 3.619000 3.909201 4.751310 5.112684 2.549309 1.551734 3.043272 0.000000 4.557544 2.438384 2.948468 3.434439 4.427422 3.015662 3.957666 4.525751 2.569601 1.533127 3.208652 2.545998 0.000000 4.022372 2.768883 3.901928 3.956426 5.059566 3.334405 3.882428 4.755698 3.453152 2.533787 4.321256 3.741678 1.397566 0.000000 4.020110 3.735687 3.284668 4.101507 4.397261 3.922003 5.107772 5.392235 3.347752 2.569104 3.352986 3.006077 1.399161 2.398385 0.000000 2.729563 4.151031 4.874424 4.940945 5.597655 4.396128 4.972791 5.758180 4.659553 3.826866 5.282781 4.892815 2.431589 1.392054 2.779984 0.000000 2.727191 4.856491 4.392630 5.059369 5.001911 4.862823 5.988188 6.300507 4.583535 3.852440 4.520795 4.352914 2.435035 2.783620 1.392834 2.418096 0.000000 6.558145 4.231513 1.348660 2.205334 1.321885 6.124814 6.959872 7.483763 4.934161 3.622441 5.189590 2.541201 3.662056 4.599437 3.518845 5.277859 4.360671 0.000000 1.759407 5.009067 5.067723 5.410953 5.562718 5.049821 5.918863 6.449512 5.113072 4.330754 5.354739 5.127543 2.798141 2.400920 2.398974 1.390574 1.390088 5.164990 0.000000 6.986548 4.055808 2.099002 1.324740 1.357467 6.616979 7.043585 7.933377 5.667889 4.154137 6.408563 3.499259 4.243289 4.652755 4.633394 5.356130 5.339289 2.094627 5.658578 0.000000 5.735751 3.442516 5.327093 5.765942 7.136879 1.086099 2.209264 2.210068 2.195516 2.909806 2.774166 4.318678 2.792978 2.929853 3.503866 3.720355 4.193529 6.250548 4.274555 6.817753 0.000000 8.034777 2.626893 5.471436 5.390562 7.440040 2.215697 1.081916 2.236798 2.813814 3.328065 4.215489 4.532808 4.215385 4.210054 5.470589 5.438396 6.473126 6.760749 6.446872 6.654654 3.089403 0.000000 7.190470 3.593619 6.372373 6.316858 8.172792 2.228722 1.083787 2.238038 3.534141 4.038701 4.714837 5.518135 4.304150 3.872640 5.464925 4.762145 6.139293 7.530822 5.827245 7.455659 2.491812 1.820734 0.000000 8.041387 4.955691 7.258594 7.632957 9.274228 2.239728 2.242041 1.083650 3.502547 4.775138 3.932012 6.037103 5.162868 5.265437 5.908312 6.074911 6.646524 8.333855 6.711327 8.833629 2.496090 3.126804 2.545079 0.000000 8.810970 4.303876 6.487029 6.886436 8.639841 2.233060 2.232119 1.085145 2.784697 4.196544 3.336299 5.159422 5.095267 5.519921 5.924064 6.620842 6.966165 7.652025 7.262358 8.169778 3.100477 2.528869 3.118650 1.820920 0.000000 7.851240 2.464803 4.076804 4.582903 6.264340 2.129274 2.749002 2.706211 1.096904 2.121777 2.153474 2.728493 3.458946 4.289275 4.307728 5.583973 5.600185 5.261016 6.126451 5.857083 3.067825 2.562537 3.785605 3.732406 2.490929 0.000000 7.704415 4.519795 5.435380 6.338333 7.465218 2.666871 3.927505 2.970153 2.154697 3.537613 1.092082 4.029315 4.169684 5.143489 4.347194 6.075267 5.414313 6.253975 6.181803 7.442077 3.021182 4.351097 4.792940 3.441481 2.817518 2.487054 0.000000 6.076898 4.195904 4.609597 5.602880 6.388790 2.777402 4.274303 3.773249 2.185090 2.905771 1.092760 3.443039 2.939440 4.006797 2.737514 4.726057 3.704749 5.206063 4.590514 6.525796 2.619302 4.795851 4.936144 4.192342 4.045166 3.073514 1.760413 0.000000 7.457186 4.123559 4.091853 5.193893 6.030424 3.466558 4.750954 4.250895 2.209264 2.914767 1.093055 2.746957 3.649187 4.927495 3.611830 5.903548 4.852337 4.754561 5.860996 6.180918 3.817017 4.918657 5.655068 4.938276 4.093186 2.511496 1.759162 1.773520 0.000000 7.886955 2.573130 2.086369 2.780496 4.192076 4.164453 4.807329 5.126272 2.757913 2.156150 3.347805 1.091870 3.471670 4.561128 4.060913 5.810109 5.424325 3.217689 6.158380 3.917526 4.800623 4.391872 5.683124 6.133563 4.966823 2.483261 4.154575 4.020962 2.943610 0.000000 6.817709 3.365474 2.051757 3.311821 3.902247 4.228684 5.313451 5.409655 2.806341 2.207366 2.705076 1.087590 2.867105 4.224637 2.833133 5.214365 4.159487 2.629070 5.176019 4.134777 4.517658 5.245291 6.107635 6.247494 5.419245 3.119461 3.710881 2.982896 2.142386 1.770283 0.000000 6.759270 0.973087 2.487172 1.974170 4.105309 3.840659 3.942717 4.981200 3.217891 1.959035 4.503607 2.452771 2.717926 2.972124 3.923585 4.257484 4.975142 3.729438 5.097709 3.192477 4.290297 3.472282 4.406159 5.918386 5.257146 3.287347 5.334784 4.861436 4.697847 2.649742 3.501497 0.000000 4.876028 2.376710 4.221064 3.996343 5.478562 3.225215 3.339182 4.485713 3.541956 2.703999 4.704453 4.029888 2.140312 1.081681 3.377368 2.146570 3.865294 5.115214 3.382677 4.813882 3.040214 3.533263 3.215324 5.046929 5.252313 4.184075 5.429546 4.594398 5.357998 4.648787 4.713615 2.611942 0.000000 4.854041 4.134819 3.174311 4.272233 4.352951 4.266380 5.572140 5.647601 3.387867 2.795325 3.008805 2.754203 2.162888 3.390675 1.083014 3.862656 2.126850 3.261111 3.368807 4.796609 3.994968 5.877957 6.089265 6.205620 6.011832 4.250552 4.024990 2.438748 2.976387 3.766193 2.206805 4.330276 4.286390 0.000000 2.865214 4.767464 5.745961 5.619683 6.340193 5.007793 5.331795 6.242847 5.478806 4.689135 6.213165 5.826923 3.412925 2.155788 3.862573 1.082599 3.396581 6.170458 2.147959 5.975243 4.319199 5.803221 4.909800 6.473488 7.174585 6.350096 6.937799 5.684148 6.895618 6.685978 6.233314 4.838478 2.483081 4.945178 0.000000 2.862984 5.829179 5.007274 5.800682 5.381933 5.722342 6.940102 7.111905 5.363673 4.724972 5.036025 5.008324 3.416442 3.866046 2.157287 3.397121 1.082441 4.729773 2.148345 5.945230 5.030484 7.451589 7.122601 7.403938 7.733148 6.374805 5.888720 4.129222 5.244042 6.082337 4.615883 5.927584 4.947725 2.452997 4.287154 0.000000 6.600589 4.901805 2.136491 3.233797 2.146542 6.378547 7.391149 7.723421 5.128816 4.025626 5.058748 2.875376 3.977804 5.067833 3.477154 5.642287 4.258689 1.078988 5.286719 3.151367 6.437132 7.292719 8.006740 8.518162 7.860727 5.523352 6.100969 4.978867 4.500744 3.589191 2.524964 4.555938 5.726293 2.938385 6.611358 4.404003 0.000000 7.427050 4.654663 3.138581 2.103224 2.151337 7.345205 7.608565 8.628518 6.513601 4.989113 7.370099 4.483226 5.031492 5.201280 5.512377 5.812812 6.094890 3.136941 6.224484 1.079033 7.544376 7.160495 7.926321 9.524905 8.896406 6.664163 8.386608 7.491139 7.197137 4.818204 5.187102 3.712979 5.227769 5.782324 6.270595 6.725468 4.164405 0.000000 C15H18ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3189524 0.2776801 0.1780916 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 556 RedAO= T EigKep= 1.07D-06 NBF= 556 NBsUse= 554 1.00D-06 EigRej= 8.88D-07 NBFU= 554 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 573 573 573 573 573 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.35666367992 -1282.35666367991 0.000000000002 -1282.35666368 2 1.277730091732e+03 -6.431735257619e+03 2.158589688157e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953844707 LenY= 4953512355 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.0900 243.58 0.0041 0.000 76 78 0.27203 76 79 -0.22539 77 78 0.40542 77 79 0.42766 -1282.16960948 2 Singlet-A 5.5315 224.14 0.0867 0.000 76 78 0.12003 76 79 0.14110 77 78 -0.42107 77 79 0.42819 77 80 0.30324 3 Singlet-A 5.6496 219.46 0.0633 0.000 76 78 -0.16115 76 79 -0.10822 77 78 0.24337 77 79 -0.10880 77 80 0.60709 77 81 0.10920 4 Singlet-A 5.7948 213.96 0.0001 0.000 77 80 -0.11716 77 81 0.65220 77 82 0.18195 77 85 0.13078 5 Singlet-A 5.9579 208.10 0.0111 0.000 72 78 0.14295 74 78 0.48400 74 79 -0.11049 75 78 0.30738 76 78 0.33422 6 Singlet-A 6.0082 206.36 0.0311 0.000 71 80 0.13194 72 79 0.13794 74 78 0.11718 74 79 0.41097 75 78 0.14776 75 79 0.26419 76 79 0.37790 76 80 0.12268 77 78 0.12069 7 Singlet-A 6.0703 204.25 0.0064 0.000 71 78 -0.11706 71 79 0.22818 71 80 0.48147 74 78 0.19555 74 80 0.14077 75 78 -0.30164 75 80 0.10867 8 Singlet-A 6.0891 203.62 0.0048 0.000 71 79 0.13807 71 80 0.28555 74 78 -0.36246 75 78 0.47018 9 Singlet-A 6.1333 202.15 0.0054 0.000 74 79 -0.26295 75 79 -0.10039 76 78 -0.12076 76 79 0.16479 76 80 0.58132 76 81 0.11360 10 Singlet-A 6.1663 201.07 0.0175 0.000 74 79 -0.37322 75 79 0.56839 76 80 -0.10827 PT46009S Fri Jul 9 16:13:53 2021 GINC-PALADIO PAULAPLA 09-Jul-2021 0 Electronic spectrum cyproconazole_RS CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1282.3566637 RMSD=3.112e-10 PG=C01 [X(C15H18Cl1N3O1)] 0 -4.0992168047 -2.2860550783 -0.1946694937 0 1.8617371409 0.6412026531 -1.2154488569 0 0.3839119039 2.6007649289 0.423174108 0 0.3669816692 2.9909852152 -0.8791096521 0 -1.367610545 3.9114101896 0.2352147985 0 2.5139305075 -1.9486552976 -0.0931501005 0 3.2300864048 -2.0527998318 -1.4115402859 0 3.8223912392 -2.7008474143 -0.1828703335 0 2.4576680591 -0.644315818 0.6853293762 0 1.3901051451 0.3354895285 0.0954883032 0 2.2931056289 -0.9576448914 2.1801872955 0 1.3784937893 1.654000972 0.9135790327 0 -0.0055068338 -0.2968090711 0.0412331139 0 -0.458219062 -0.8688758679 -1.1508169247 0 -0.8436412906 -0.3554444215 1.1600464058 0 -1.7063278901 -1.4800510636 -1.2314689065 0 -2.096234373 -0.9613646155 1.0979358984 0 -0.6647599672 3.1575069771 1.0628684989 0 -2.5177061919 -1.5206064153 -0.1028786535 0 -0.7008359269 3.7727205245 -0.9390484796 0 1.6258268929 -2.563740911 0.0188927277 0 3.6932107653 -1.1517602892 -1.7912573786 0 2.8013961892 -2.6921886085 -2.1744298507 0 3.801391408 -3.7813394537 -0.1029115423 0 4.6999996848 -2.2392358513 0.2578764329 0 3.4129997202 -0.125280728 0.5399265423 0 3.0923800961 -1.6337564161 2.4911169711 0 1.3440256586 -1.4617400595 2.3783262901 0 2.3534038953 -0.0708045204 2.8163060364 0 2.3685569863 2.107979711 0.8370364506 0 1.1534581835 1.4861304513 1.9643079943 0 1.3866696963 1.4304518014 -1.5289700451 0 0.1818503443 -0.833941781 -2.0220949775 0 -0.5335814215 0.0705950378 2.1062354196 0 -2.0471707694 -1.9193123007 -2.1603908526 0 -2.7383309212 -0.9958715236 1.9686825202 0 -0.8698901289 2.989669243 2.1087975094 0 -1.0000979005 4.2557626089 -1.8563408159 Gaussian 16 9-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H18ClN3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/cyproconazole_RS/gas/CONF4/op #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point cyproconazole_RS CONF4 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1070 A 950 A 950 1375 1070 77 77 1713.1045625359 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0457484861 0.000000 6.718914 0.000000 6.660419 2.951091 0.000000 6.947125 2.805155 1.359596 0.000000 6.786387 4.819478 2.195666 2.257811 0.000000 6.622527 2.896942 5.049831 5.443085 7.036658 0.000000 7.433295 3.027950 5.755219 5.824141 7.708594 1.503954 0.000000 7.932469 4.009948 6.348033 6.694891 8.416226 1.511923 1.510106 0.000000 6.816337 2.370791 3.860018 4.475919 5.965735 1.520032 2.641462 2.616403 0.000000 6.090102 1.426343 2.500255 3.008036 4.517934 2.552623 3.370548 3.900364 1.564488 0.000000 6.947403 3.777928 4.403907 5.353590 6.394643 2.489765 3.870117 3.310817 1.536182 2.614111 0.000000 6.837951 2.406667 1.458099 2.454469 3.619000 3.909201 4.751310 5.112684 2.549309 1.551734 3.043272 0.000000 4.557544 2.438384 2.948468 3.434439 4.427422 3.015662 3.957666 4.525751 2.569601 1.533127 3.208652 2.545998 0.000000 4.022372 2.768883 3.901928 3.956426 5.059566 3.334405 3.882428 4.755698 3.453152 2.533787 4.321256 3.741678 1.397566 0.000000 4.020110 3.735687 3.284668 4.101507 4.397261 3.922003 5.107772 5.392235 3.347752 2.569104 3.352986 3.006077 1.399161 2.398385 0.000000 2.729563 4.151031 4.874424 4.940945 5.597655 4.396128 4.972791 5.758180 4.659553 3.826866 5.282781 4.892815 2.431589 1.392054 2.779984 0.000000 2.727191 4.856491 4.392630 5.059369 5.001911 4.862823 5.988188 6.300507 4.583535 3.852440 4.520795 4.352914 2.435035 2.783620 1.392834 2.418096 0.000000 6.558145 4.231513 1.348660 2.205334 1.321885 6.124814 6.959872 7.483763 4.934161 3.622441 5.189590 2.541201 3.662056 4.599437 3.518845 5.277859 4.360671 0.000000 1.759407 5.009067 5.067723 5.410953 5.562718 5.049821 5.918863 6.449512 5.113072 4.330754 5.354739 5.127543 2.798141 2.400920 2.398974 1.390574 1.390088 5.164990 0.000000 6.986548 4.055808 2.099002 1.324740 1.357467 6.616979 7.043585 7.933377 5.667889 4.154137 6.408563 3.499259 4.243289 4.652755 4.633394 5.356130 5.339289 2.094627 5.658578 0.000000 5.735751 3.442516 5.327093 5.765942 7.136879 1.086099 2.209264 2.210068 2.195516 2.909806 2.774166 4.318678 2.792978 2.929853 3.503866 3.720355 4.193529 6.250548 4.274555 6.817753 0.000000 8.034777 2.626893 5.471436 5.390562 7.440040 2.215697 1.081916 2.236798 2.813814 3.328065 4.215489 4.532808 4.215385 4.210054 5.470589 5.438396 6.473126 6.760749 6.446872 6.654654 3.089403 0.000000 7.190470 3.593619 6.372373 6.316858 8.172792 2.228722 1.083787 2.238038 3.534141 4.038701 4.714837 5.518135 4.304150 3.872640 5.464925 4.762145 6.139293 7.530822 5.827245 7.455659 2.491812 1.820734 0.000000 8.041387 4.955691 7.258594 7.632957 9.274228 2.239728 2.242041 1.083650 3.502547 4.775138 3.932012 6.037103 5.162868 5.265437 5.908312 6.074911 6.646524 8.333855 6.711327 8.833629 2.496090 3.126804 2.545079 0.000000 8.810970 4.303876 6.487029 6.886436 8.639841 2.233060 2.232119 1.085145 2.784697 4.196544 3.336299 5.159422 5.095267 5.519921 5.924064 6.620842 6.966165 7.652025 7.262358 8.169778 3.100477 2.528869 3.118650 1.820920 0.000000 7.851240 2.464803 4.076804 4.582903 6.264340 2.129274 2.749002 2.706211 1.096904 2.121777 2.153474 2.728493 3.458946 4.289275 4.307728 5.583973 5.600185 5.261016 6.126451 5.857083 3.067825 2.562537 3.785605 3.732406 2.490929 0.000000 7.704415 4.519795 5.435380 6.338333 7.465218 2.666871 3.927505 2.970153 2.154697 3.537613 1.092082 4.029315 4.169684 5.143489 4.347194 6.075267 5.414313 6.253975 6.181803 7.442077 3.021182 4.351097 4.792940 3.441481 2.817518 2.487054 0.000000 6.076898 4.195904 4.609597 5.602880 6.388790 2.777402 4.274303 3.773249 2.185090 2.905771 1.092760 3.443039 2.939440 4.006797 2.737514 4.726057 3.704749 5.206063 4.590514 6.525796 2.619302 4.795851 4.936144 4.192342 4.045166 3.073514 1.760413 0.000000 7.457186 4.123559 4.091853 5.193893 6.030424 3.466558 4.750954 4.250895 2.209264 2.914767 1.093055 2.746957 3.649187 4.927495 3.611830 5.903548 4.852337 4.754561 5.860996 6.180918 3.817017 4.918657 5.655068 4.938276 4.093186 2.511496 1.759162 1.773520 0.000000 7.886955 2.573130 2.086369 2.780496 4.192076 4.164453 4.807329 5.126272 2.757913 2.156150 3.347805 1.091870 3.471670 4.561128 4.060913 5.810109 5.424325 3.217689 6.158380 3.917526 4.800623 4.391872 5.683124 6.133563 4.966823 2.483261 4.154575 4.020962 2.943610 0.000000 6.817709 3.365474 2.051757 3.311821 3.902247 4.228684 5.313451 5.409655 2.806341 2.207366 2.705076 1.087590 2.867105 4.224637 2.833133 5.214365 4.159487 2.629070 5.176019 4.134777 4.517658 5.245291 6.107635 6.247494 5.419245 3.119461 3.710881 2.982896 2.142386 1.770283 0.000000 6.759270 0.973087 2.487172 1.974170 4.105309 3.840659 3.942717 4.981200 3.217891 1.959035 4.503607 2.452771 2.717926 2.972124 3.923585 4.257484 4.975142 3.729438 5.097709 3.192477 4.290297 3.472282 4.406159 5.918386 5.257146 3.287347 5.334784 4.861436 4.697847 2.649742 3.501497 0.000000 4.876028 2.376710 4.221064 3.996343 5.478562 3.225215 3.339182 4.485713 3.541956 2.703999 4.704453 4.029888 2.140312 1.081681 3.377368 2.146570 3.865294 5.115214 3.382677 4.813882 3.040214 3.533263 3.215324 5.046929 5.252313 4.184075 5.429546 4.594398 5.357998 4.648787 4.713615 2.611942 0.000000 4.854041 4.134819 3.174311 4.272233 4.352951 4.266380 5.572140 5.647601 3.387867 2.795325 3.008805 2.754203 2.162888 3.390675 1.083014 3.862656 2.126850 3.261111 3.368807 4.796609 3.994968 5.877957 6.089265 6.205620 6.011832 4.250552 4.024990 2.438748 2.976387 3.766193 2.206805 4.330276 4.286390 0.000000 2.865214 4.767464 5.745961 5.619683 6.340193 5.007793 5.331795 6.242847 5.478806 4.689135 6.213165 5.826923 3.412925 2.155788 3.862573 1.082599 3.396581 6.170458 2.147959 5.975243 4.319199 5.803221 4.909800 6.473488 7.174585 6.350096 6.937799 5.684148 6.895618 6.685978 6.233314 4.838478 2.483081 4.945178 0.000000 2.862984 5.829179 5.007274 5.800682 5.381933 5.722342 6.940102 7.111905 5.363673 4.724972 5.036025 5.008324 3.416442 3.866046 2.157287 3.397121 1.082441 4.729773 2.148345 5.945230 5.030484 7.451589 7.122601 7.403938 7.733148 6.374805 5.888720 4.129222 5.244042 6.082337 4.615883 5.927584 4.947725 2.452997 4.287154 0.000000 6.600589 4.901805 2.136491 3.233797 2.146542 6.378547 7.391149 7.723421 5.128816 4.025626 5.058748 2.875376 3.977804 5.067833 3.477154 5.642287 4.258689 1.078988 5.286719 3.151367 6.437132 7.292719 8.006740 8.518162 7.860727 5.523352 6.100969 4.978867 4.500744 3.589191 2.524964 4.555938 5.726293 2.938385 6.611358 4.404003 0.000000 7.427050 4.654663 3.138581 2.103224 2.151337 7.345205 7.608565 8.628518 6.513601 4.989113 7.370099 4.483226 5.031492 5.201280 5.512377 5.812812 6.094890 3.136941 6.224484 1.079033 7.544376 7.160495 7.926321 9.524905 8.896406 6.664163 8.386608 7.491139 7.197137 4.818204 5.187102 3.712979 5.227769 5.782324 6.270595 6.725468 4.164405 0.000000 C15H18ClN3O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 273.6329999999998 AuxInfo=1/0/N:11,7,8,14,15,16,17,12,20,18,9,6,13,19,10,1,5,4,3,2/E:(2,3)(4,5)(6,7)/CRV:4.3,5.3,6.3,7.3,9.3,10.3,13.3,14.3,17.2,18.2/rA:38ClONN2N2CCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;s3;;;s6;s6s7;s6;s2s9;s9;s3s10;s10;s13;s13;s14;s15;s3s5;s1s16s17;s4s5;s6;s7;s7;s8;s8;s9;s11;s11;s11;s12;s12;s2;s14;s15;s16;s17;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3189524 0.2776801 0.1780916 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 950 RedAO= T EigKep= 1.24D-06 NBF= 950 NBsUse= 946 1.00D-06 EigRej= 9.59D-07 NBFU= 946 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= 1060 1060 1060 1060 1060 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1282.36174078136 -1282.41713334192 -0.055392560560 -1282.41702641081 0.000106931118 -1282.41744668761 -0.000420276805 -1282.41747014123 -0.000023453619 -1282.41747491521 -0.000004773978 -1282.41747575108 -0.000000835871 -1282.41747579173 -0.000000040647 -1282.41747580251 -0.000000010787 -1282.41747580336 -0.000000000845 -1282.41747580352 -0.000000000161 -1282.41747580358 -0.000000000058 -1282.41747580 12 1.277461053838e+03 -6.431821784923e+03 2.158884441232e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4952209095 LenY= 4951063125 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. PT50799S Fri Jul 9 17:24:29 2021 GINC-PALADIO PAULAPLA 09-Jul-2021 0 Single Point cyproconazole_RS CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1282.4174758 RMSD=6.060e-09 Dipole=0.8736799,-0.1072511,0.8920858 Quadrupole=-5.3443778,-3.9816223,9.326,2.0836017,3.3932382,1.7665533 PG=C01 [X(C15H18Cl1N3O1)] 0 -4.0992168047 -2.2860550783 -0.1946694937 0 1.8617371409 0.6412026531 -1.2154488569 0 0.3839119039 2.6007649289 0.423174108 0 0.3669816692 2.9909852152 -0.8791096521 0 -1.367610545 3.9114101896 0.2352147985 0 2.5139305075 -1.9486552976 -0.0931501005 0 3.2300864048 -2.0527998318 -1.4115402859 0 3.8223912392 -2.7008474143 -0.1828703335 0 2.4576680591 -0.644315818 0.6853293762 0 1.3901051451 0.3354895285 0.0954883032 0 2.2931056289 -0.9576448914 2.1801872955 0 1.3784937893 1.654000972 0.9135790327 0 -0.0055068338 -0.2968090711 0.0412331139 0 -0.458219062 -0.8688758679 -1.1508169247 0 -0.8436412906 -0.3554444215 1.1600464058 0 -1.7063278901 -1.4800510636 -1.2314689065 0 -2.096234373 -0.9613646155 1.0979358984 0 -0.6647599672 3.1575069771 1.0628684989 0 -2.5177061919 -1.5206064153 -0.1028786535 0 -0.7008359269 3.7727205245 -0.9390484796 0 1.6258268929 -2.563740911 0.0188927277 0 3.6932107653 -1.1517602892 -1.7912573786 0 2.8013961892 -2.6921886085 -2.1744298507 0 3.801391408 -3.7813394537 -0.1029115423 0 4.6999996848 -2.2392358513 0.2578764329 0 3.4129997202 -0.125280728 0.5399265423 0 3.0923800961 -1.6337564161 2.4911169711 0 1.3440256586 -1.4617400595 2.3783262901 0 2.3534038953 -0.0708045204 2.8163060364 0 2.3685569863 2.107979711 0.8370364506 0 1.1534581835 1.4861304513 1.9643079943 0 1.3866696963 1.4304518014 -1.5289700451 0 0.1818503443 -0.833941781 -2.0220949775 0 -0.5335814215 0.0705950378 2.1062354196 0 -2.0471707694 -1.9193123007 -2.1603908526 0 -2.7383309212 -0.9958715236 1.9686825202 0 -0.8698901289 2.989669243 2.1087975094 0 -1.0000979005 4.2557626089 -1.8563408159