Gaussian 16 GINC-BELVIS7 PAULAPLA Optimization pefurazoate CONF151 octanol EM64L-G16RevC.01 11-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 92 92 688 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C18H23N3O4)] C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 322.2102999999998 0 1 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-3048742/Gau-28078.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3048742/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF151/opt- #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 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=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 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 pefurazoate CONF151 octanol 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 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3228 1.4364 1.351 1.3488 1.203 1.2129 1.4607 1.465 1.3486 1.413 1.3784 1.368 1.2965 1.3722 1.5265 1.5258 1.0958 1.5198 1.0904 1.091 1.4828 1.089 1.092 1.0905 1.092 1.0894 1.3549 1.5133 1.0894 1.0918 1.5282 1.0933 1.094 1.4279 1.0786 1.4954 1.0962 1.0932 1.3561 1.0765 1.0776 1.3519 1.0778 1.0782 1.0785 1.3277 1.0876 1.0829 1.0843 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 120.3297 107.7412 116.2578 115.5327 124.6644 123.3257 129.2384 106.7037 105.946 114.1812 111.1941 105.935 112.2642 106.8397 105.7542 113.1318 110.8733 107.1273 110.1114 109.0004 106.3068 112.961 110.038 108.659 111.3154 107.7549 105.7976 125.0307 111.0608 123.7749 123.552 118.9698 117.4762 109.8766 111.8773 112.4181 107.3035 107.0698 108.0504 118.4056 109.7151 131.8722 109.8064 110.6551 106.5244 110.7752 111.0741 107.9104 113.9412 109.5825 106.756 110.5789 109.2843 106.3537 106.3847 126.1358 127.4795 112.1755 108.4035 110.973 108.9364 109.6596 106.503 105.3568 122.6347 131.9951 111.4681 122.7862 125.7152 105.9061 127.5736 126.5202 110.2509 116.6734 133.0744 110.498 121.8537 127.6483 125.2258 115.97 118.8035 121.5061 121.9905 116.5024 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 48 9.4643 -174.6162 115.8038 -6.7893 -123.8319 178.739 -0.4038 0.4667 -179.8885 128.4696 -103.2463 11.1822 -71.73 56.5541 170.9826 -69.4693 165.4493 50.044 132.7906 7.7092 -107.6961 -6.0227 173.4517 151.8609 -28.6646 -31.5759 148.9248 137.2735 -42.2258 172.6292 -8.5576 1.6261 -179.5607 -171.4666 6.6298 -1.1792 176.9172 0.212 -177.817 0.871 -179.1559 -55.0156 69.2528 -175.1553 177.2459 -58.4857 57.1062 61.7503 -173.9813 -58.3895 38.3307 -145.6889 167.638 -16.3815 -76.2105 99.77 -173.8088 -54.7315 67.0611 61.5082 -179.4146 -57.6219 -54.7443 64.3329 -173.8745 -68.7371 110.1791 55.6489 -125.4348 171.2298 -9.854 0.1918 -179.8888 -178.7956 1.1238 63.6429 -60.8388 -175.6235 -173.8351 61.6832 -53.1016 -53.9223 -178.404 66.8112 175.7869 55.4592 -61.1664 -60.267 179.4053 62.7797 56.4769 -63.8508 179.5235 0.0903 -179.9971 -179.8277 0.085 128.4074 -51.9132 -111.5746 68.1048 4.6237 -175.6969 -1.5647 178.4642 179.7801 -0.1911 -0.3423 -179.9078 179.7438 0.1784 179.6788 0.046 0.0078 -179.625 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 713 A 688 A 1084 713 2358.0653902815 48 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= 688 RedAO= T EigKep= 2.64D-06 NBF= 688 NBsUse= 687 1.00D-06 EigRej= 9.66D-07 NBFU= 687 Berny optimization. local minimum Step number 25 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00093 0.00174 0.00211 0.00386 0.00448 0.00682 0.00746 0.01033 0.01244 0.01370 0.01609 0.01671 0.01725 0.01874 0.02069 0.02135 0.02273 0.02316 0.02397 0.02448 0.02482 0.02538 0.02640 0.02713 0.03040 0.03084 0.03621 0.03879 0.03999 0.04461 0.04515 0.04722 0.04880 0.04969 0.05011 0.05222 0.05264 0.05516 0.05540 0.05678 0.05716 0.05741 0.06239 0.06820 0.07050 0.08433 0.08546 0.09248 0.09405 0.09999 0.11414 0.12245 0.12382 0.12817 0.13778 0.14361 0.14878 0.15913 0.15929 0.15972 0.15995 0.16000 0.16001 0.16004 0.16006 0.16012 0.16039 0.16134 0.19762 0.20547 0.21483 0.21617 0.21993 0.22083 0.22176 0.22223 0.23308 0.23834 0.23840 0.24002 0.24582 0.24861 0.25293 0.25538 0.26218 0.27510 0.28622 0.29713 0.30397 0.30953 0.31290 0.32362 0.32973 0.33156 0.34096 0.34223 0.34379 0.34488 0.34500 0.34577 0.34614 0.34657 0.34700 0.34816 0.34827 0.34974 0.35049 0.35093 0.35187 0.35441 0.35653 0.35696 0.36160 0.36181 0.36213 0.36260 0.36331 0.36441 0.37647 0.38525 0.39675 0.42113 0.44276 0.46534 0.47070 0.47421 0.50070 0.50815 0.53137 0.54693 0.54957 0.57798 0.60271 0.61365 0.65637 0.67963 0.99009 1.04707 -4.11213937e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.51922 2.75685 2.59107 2.58414 2.29017 2.31264 2.78939 2.79938 2.55859 2.70287 2.62577 2.60722 2.47454 2.62175 2.89775 2.89733 2.06771 2.88926 2.06304 2.06456 2.80888 2.05567 2.06408 2.06636 2.06830 2.06375 2.57066 2.86812 2.05862 2.06493 2.90635 2.06895 2.07106 2.71318 2.03958 2.83730 2.07590 2.06711 2.57478 2.03394 2.03685 2.56576 2.03925 2.03735 2.03904 2.51832 2.05988 2.05187 2.05354 2.09738 1.87201 2.02639 2.03509 2.17506 2.15320 2.25245 1.86351 1.84872 1.98355 1.94494 1.84351 1.96704 1.87877 1.83379 1.96659 1.91144 1.86670 1.93002 1.92089 1.86441 1.96712 1.90669 1.88369 1.93984 1.89108 1.87210 2.18402 1.93349 2.16414 2.16217 2.07599 2.04497 1.92168 1.94559 1.94865 1.88393 1.88089 1.88056 2.05229 1.91389 2.31665 1.88136 1.90703 1.85887 1.95019 1.95778 1.90571 1.97876 1.89653 1.87740 1.91953 1.91881 1.86918 1.86177 2.19602 2.22538 1.96106 1.89140 1.91726 1.90795 1.91540 1.86828 1.84224 2.12143 2.31934 1.94224 2.13092 2.20990 1.85377 2.22460 2.20481 1.92332 2.02456 2.33529 1.92765 2.12285 2.23267 2.18166 2.02180 2.07963 2.12352 2.12271 2.03695 0.16554 -3.03379 2.26774 0.14516 -1.91121 3.11272 -0.00398 0.00686 -3.13876 2.24407 -1.79371 0.18841 -1.20539 1.04001 3.02213 -1.20113 2.91654 0.88645 2.27598 0.11046 -1.91963 -0.11372 3.01636 2.69085 -0.46225 -0.59800 2.55452 2.33994 -0.79073 3.00356 -0.15543 0.02674 -3.13225 -2.98476 0.14146 -0.02050 3.10572 0.00533 -3.12003 0.01241 -3.12470 -0.99955 1.15642 -3.11251 3.04957 -1.07765 0.93661 1.03561 -3.09161 -1.07735 0.58589 -2.61266 2.84006 -0.35849 -1.40229 1.68234 -3.08289 -0.99254 1.11179 1.05468 -3.13815 -1.03383 -1.00113 1.08922 -3.08964 -1.18216 1.92751 0.96496 -2.20855 3.01773 -0.15579 -0.00019 3.13592 -3.11174 0.02438 1.04798 -1.09195 -3.10990 -3.13965 1.00360 -1.01435 -0.99295 -3.13288 1.13236 -3.14092 1.03221 -1.00339 -1.01377 -3.12383 1.12376 1.04027 -1.06979 -3.10538 0.00430 -3.14133 -3.13170 0.00586 2.11612 -1.01088 -2.06655 1.08963 -0.02246 3.13372 -0.02454 3.11222 3.13729 -0.00913 -0.00689 3.13972 3.13867 0.00210 -3.13308 0.00775 -0.00652 3.13430 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 0.00001 -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 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00003 0.00000 -0.00001 -0.00001 -0.00002 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00003 0.00000 -0.00011 -0.00012 -0.00012 -0.00004 -0.00001 0.00003 -0.00000 -0.00005 -0.00006 -0.00004 -0.00002 -0.00003 -0.00002 -0.00001 -0.00001 -0.00001 -0.00004 -0.00003 -0.00004 0.00001 0.00003 0.00004 0.00006 0.00000 -0.00002 -0.00017 -0.00019 -0.00013 -0.00013 0.00001 0.00001 0.00011 0.00016 -0.00004 0.00001 0.00005 -0.00001 -0.00004 -0.00001 0.00004 0.00004 0.00004 0.00004 0.00004 0.00004 0.00005 0.00005 0.00005 0.00003 0.00000 0.00003 0.00000 0.00001 -0.00002 0.00010 0.00010 0.00010 0.00009 0.00010 0.00010 0.00010 0.00010 0.00010 -0.00010 -0.00015 -0.00011 -0.00016 -0.00009 -0.00014 -0.00002 0.00002 0.00003 0.00007 -0.00007 -0.00007 -0.00008 -0.00005 -0.00005 -0.00006 -0.00007 -0.00007 -0.00008 -0.00020 -0.00019 -0.00019 -0.00019 -0.00018 -0.00018 -0.00020 -0.00019 -0.00019 0.00003 0.00001 -0.00001 -0.00003 0.00007 0.00006 0.00006 0.00005 0.00006 0.00005 0.00001 -0.00002 0.00001 -0.00002 -0.00004 0.00000 -0.00002 0.00002 -0.00001 -0.00002 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00002 0.00000 -0.00001 -0.00001 0.00002 -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 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 -0.00001 0.00001 0.00002 -0.00002 0.00004 -0.00000 0.00001 -0.00003 0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00008 -0.00003 0.00000 0.00002 0.00002 0.00003 0.00005 -0.00010 -0.00003 -0.00003 -0.00003 -0.00000 0.00005 0.00005 0.00007 -0.00000 -0.00001 0.00001 -0.00008 -0.00008 -0.00006 0.00000 0.00002 0.00008 0.00010 -0.00000 -0.00002 0.00011 0.00009 0.00006 0.00006 -0.00004 -0.00004 0.00001 -0.00010 0.00011 0.00000 -0.00013 -0.00002 0.00011 0.00006 0.00014 0.00011 0.00012 0.00013 0.00011 0.00012 0.00012 0.00010 0.00011 -0.00001 0.00004 -0.00004 0.00001 -0.00004 0.00001 0.00015 0.00014 0.00016 0.00016 0.00016 0.00017 0.00016 0.00016 0.00018 0.00004 0.00003 0.00004 0.00003 0.00002 0.00001 0.00002 -0.00000 0.00004 0.00001 0.00003 0.00003 0.00004 0.00002 0.00001 0.00003 0.00002 0.00002 0.00004 0.00007 0.00006 0.00006 0.00008 0.00006 0.00007 0.00006 0.00005 0.00005 -0.00008 -0.00004 -0.00006 -0.00001 0.00006 0.00006 0.00008 0.00007 0.00006 0.00006 -0.00004 0.00001 -0.00004 0.00001 0.00011 0.00002 0.00007 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00001 -0.00003 0.00002 -0.00002 0.00000 0.00002 -0.00001 -0.00001 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 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00002 -0.00002 0.00002 -0.00000 0.00001 -0.00003 0.00002 0.00002 -0.00001 -0.00003 0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00002 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00003 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00006 -0.00003 -0.00011 -0.00011 -0.00010 -0.00001 0.00004 -0.00007 -0.00003 -0.00007 -0.00008 -0.00004 0.00003 0.00001 0.00006 -0.00002 -0.00001 0.00000 -0.00012 -0.00012 -0.00010 0.00001 0.00005 0.00012 0.00016 -0.00000 -0.00004 -0.00006 -0.00010 -0.00007 -0.00007 -0.00003 -0.00002 0.00012 0.00006 0.00007 0.00001 -0.00009 -0.00002 0.00007 0.00005 0.00017 0.00015 0.00016 0.00017 0.00015 0.00015 0.00017 0.00015 0.00016 0.00001 0.00004 -0.00001 0.00002 -0.00004 -0.00001 0.00024 0.00024 0.00026 0.00025 0.00025 0.00027 0.00026 0.00026 0.00028 -0.00005 -0.00012 -0.00007 -0.00013 -0.00007 -0.00013 0.00001 0.00002 0.00007 0.00008 -0.00004 -0.00004 -0.00003 -0.00003 -0.00004 -0.00002 -0.00004 -0.00005 -0.00004 -0.00013 -0.00013 -0.00013 -0.00012 -0.00012 -0.00012 -0.00014 -0.00014 -0.00014 -0.00005 -0.00003 -0.00006 -0.00004 0.00013 0.00012 0.00013 0.00012 0.00012 0.00011 -0.00002 -0.00001 -0.00003 -0.00001 0.00007 0.00003 0.00005 0.00001 -0.00002 -0.00002 -0.00000 -0.00001 2.51923 2.75684 2.59109 2.58415 2.29015 2.31265 2.78937 2.79939 2.55857 2.70288 2.62578 2.60721 2.47452 2.62176 2.89776 2.89732 2.06771 2.88927 2.06304 2.06455 2.80887 2.05567 2.06408 2.06636 2.06830 2.06376 2.57066 2.86811 2.05863 2.06493 2.90635 2.06895 2.07106 2.71318 2.03958 2.83731 2.07590 2.06711 2.57478 2.03394 2.03685 2.56575 2.03925 2.03735 2.03904 2.51832 2.05988 2.05187 2.05354 2.09737 1.87201 2.02638 2.03510 2.17508 2.15318 2.25247 1.86350 1.84873 1.98353 1.94496 1.84353 1.96704 1.87874 1.83380 1.96659 1.91145 1.86671 1.93000 1.92090 1.86441 1.96711 1.90668 1.88369 1.93985 1.89110 1.87208 2.18402 1.93349 2.16414 2.16217 2.07599 2.04497 1.92168 1.94562 1.94865 1.88392 1.88087 1.88056 2.05228 1.91389 2.31667 1.88138 1.90703 1.85886 1.95018 1.95779 1.90570 1.97879 1.89653 1.87739 1.91952 1.91881 1.86917 1.86177 2.19602 2.22538 1.96105 1.89141 1.91727 1.90796 1.91540 1.86827 1.84224 2.12144 2.31934 1.94225 2.13093 2.20990 1.85377 2.22460 2.20481 1.92332 2.02455 2.33531 1.92764 2.12285 2.23268 2.18167 2.02180 2.07963 2.12351 2.12272 2.03696 0.16549 -3.03382 2.26763 0.14505 -1.91130 3.11271 -0.00394 0.00679 -3.13879 2.24400 -1.79379 0.18836 -1.20537 1.04003 3.02218 -1.20115 2.91653 0.88646 2.27585 0.11034 -1.91973 -0.11371 3.01641 2.69097 -0.46210 -0.59800 2.55447 2.33988 -0.79083 3.00349 -0.15550 0.02672 -3.13227 -2.98464 0.14153 -0.02043 3.10573 0.00525 -3.12006 0.01248 -3.12465 -0.99937 1.15657 -3.11235 3.04974 -1.07751 0.93676 1.03578 -3.09146 -1.07719 0.58590 -2.61262 2.84005 -0.35848 -1.40233 1.68234 -3.08265 -0.99229 1.11205 1.05493 -3.13790 -1.03356 -1.00088 1.08948 -3.08936 -1.18221 1.92739 0.96490 -2.20869 3.01766 -0.15592 -0.00019 3.13594 -3.11167 0.02446 1.04794 -1.09200 -3.10993 -3.13968 1.00356 -1.01437 -0.99299 -3.13293 1.13232 -3.14105 1.03208 -1.00352 -1.01389 -3.12395 1.12364 1.04014 -1.06993 -3.10552 0.00425 -3.14135 -3.13176 0.00582 2.11625 -1.01077 -2.06642 1.08975 -0.02234 3.13383 -0.02456 3.11221 3.13726 -0.00915 -0.00682 3.13974 3.13873 0.00210 -3.13309 0.00772 -0.00652 3.13429 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000002 0.001202 0.000252 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.659009e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3331 1.4589 1.3711 1.3675 1.2119 1.2238 1.4761 1.4814 1.3539 1.4303 1.3895 1.3797 1.3095 1.3874 1.5334 1.5332 1.0942 1.5289 1.0917 1.0925 1.4864 1.0878 1.0923 1.0935 1.0945 1.0921 1.3603 1.5177 1.0894 1.0927 1.538 1.0948 1.096 1.4358 1.0793 1.5014 1.0985 1.0939 1.3625 1.0763 1.0779 1.3577 1.0791 1.0781 1.079 1.3326 1.09 1.0858 1.0867 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 120.1708 107.258 116.1034 116.6023 124.6217 123.3692 129.056 106.771 105.924 113.6493 111.4366 105.6251 112.7031 107.6454 105.0682 112.6773 109.5174 106.9542 110.582 110.0587 106.823 112.7074 109.2451 107.9275 111.1449 108.3509 107.2632 125.1349 110.7809 123.9961 123.8834 118.9453 117.1681 110.1041 111.4744 111.6492 107.9413 107.767 107.7479 117.5876 109.6579 132.7343 107.7942 109.2645 106.5053 111.7376 112.1727 109.1892 113.3746 108.663 107.5668 109.981 109.9397 107.0961 106.6714 125.8228 127.5049 112.3605 108.3691 109.8511 109.3177 109.7441 107.0444 105.5527 121.549 132.8885 111.2823 122.0929 126.6181 106.2131 127.4603 126.3262 110.1981 115.9989 133.8025 110.4464 121.6304 127.9226 125.0 115.8407 119.1541 121.6686 121.6226 116.7088 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 9.485 -173.8236 129.932 8.3169 -109.5041 178.3456 -0.2279 0.3932 -179.8376 128.5757 -102.7719 10.7949 -69.064 59.5885 173.1552 -68.8196 167.1054 50.7899 130.4039 6.3289 -109.9866 -6.5158 172.8246 154.1743 -26.4852 -34.2628 146.363 134.0689 -45.3054 172.0915 -8.9055 1.5322 -179.4647 -171.0141 8.1051 -1.1747 177.9445 0.3057 -178.7647 0.7112 -179.0322 -57.2698 66.2579 -178.3335 174.7274 -61.745 53.6636 59.3361 -177.1363 -61.7277 33.569 -149.6945 162.7234 -20.5401 -80.3453 96.3912 -176.6366 -56.8682 63.7007 60.4288 -179.8028 -59.2339 -57.3607 62.4076 -177.0234 -67.7327 110.4381 55.2883 -126.5409 172.903 -8.9261 -0.0111 179.6752 -178.2896 1.3967 60.045 -62.5642 -178.184 -179.8888 57.5021 -58.1178 -56.8918 -179.5009 64.8792 -179.9612 59.1413 -57.4898 -58.0848 -178.9823 64.3866 59.6032 -61.2942 -177.9253 0.2463 -179.9847 -179.4331 0.3359 121.2447 -57.9192 -118.4046 62.4314 -1.2871 179.5489 -1.406 178.3171 179.7536 -0.5233 -0.3948 179.8927 179.8328 0.1202 -179.512 0.4438 -0.3736 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0589894132 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.445317 0.000000 2.241384 6.243658 0.000000 3.005469 5.023989 3.268615 0.000000 2.671745 3.056596 3.538035 2.257871 0.000000 4.119892 3.985773 5.176496 2.264556 2.360865 0.000000 6.215353 4.458452 7.359692 4.373749 4.245751 2.202380 0.000000 2.351276 3.833164 2.411721 2.669058 1.460693 3.675528 5.647129 0.000000 3.685108 4.214829 2.823899 3.089674 2.508060 4.320245 6.137831 1.526459 0.000000 3.212719 2.435098 4.591106 3.571706 1.465027 2.898776 4.276810 2.484633 3.662925 0.000000 1.322760 5.240282 1.203015 2.689755 2.464420 4.241576 6.400335 1.525844 2.534401 3.418304 0.000000 3.004801 3.933416 3.789894 1.212948 1.348562 1.413039 3.571067 2.377045 3.077588 2.492454 2.884984 0.000000 4.886870 3.413675 4.322914 4.026851 3.000322 4.600890 5.985889 2.542201 1.519841 3.816948 3.897293 3.687541 0.000000 4.403129 1.351008 5.415593 4.682116 2.457583 3.946342 4.900403 3.091914 3.881292 1.482760 4.347103 3.612553 3.507063 0.000000 1.436408 6.839425 2.756518 3.813766 4.028388 5.063027 7.124169 3.717709 4.907170 4.525111 2.394138 4.080915 6.221121 5.777791 0.000000 2.413768 7.260768 3.836831 3.725106 4.420883 4.702897 6.594522 4.536530 5.695182 4.913731 3.405150 4.054875 6.939702 6.332585 1.513259 0.000000 5.001233 2.212717 5.881184 5.789320 3.539809 5.276709 6.220857 3.735872 4.447384 2.591603 4.910315 4.813094 4.004490 1.354939 6.332637 7.105632 0.000000 2.994381 6.913036 4.934044 4.211620 4.462695 4.407193 5.972523 4.970240 6.297554 4.547072 4.195008 4.145873 7.322986 5.994957 2.549977 1.528239 6.808661 0.000000 4.754847 5.285090 5.895754 2.824120 3.593977 1.378399 2.241718 4.810489 5.469344 4.079354 5.059795 2.456994 5.882130 5.231827 5.375234 4.626335 6.552006 4.225276 0.000000 5.215609 3.390846 6.260569 3.480498 3.014963 1.368014 1.296462 4.404156 4.896989 3.139866 5.280395 2.512697 4.747792 3.756411 6.274656 5.981630 5.102393 5.515737 2.203501 0.000000 6.302031 2.215650 6.955152 6.683524 4.506731 6.018608 6.625180 4.724066 5.071235 3.697072 6.058181 5.690889 4.210331 2.228491 7.674574 8.418729 1.427873 8.121004 7.331204 5.571433 0.000000 6.465997 1.348780 7.095072 6.238479 4.229678 5.323781 5.650016 4.721365 4.908369 3.576223 6.171518 5.205677 3.852555 2.180585 7.877532 8.438118 2.219121 8.113944 6.623068 4.661581 1.351893 0.000000 5.975022 5.475865 7.170604 4.060662 4.507949 2.174630 1.372243 5.846640 6.432175 4.731349 6.286203 3.533528 6.582983 5.670071 6.645348 5.867872 7.007707 5.261599 1.356089 2.131055 7.610740 6.751899 0.000000 4.380894 7.831434 6.152659 4.900700 5.503897 4.818118 6.012040 6.190533 7.416466 5.609199 5.477812 4.905978 8.389346 7.068595 3.869991 2.509330 7.999099 1.495358 4.199943 5.867421 9.243292 9.094184 5.049623 0.000000 5.165538 7.678236 6.957639 5.115348 5.683631 4.493417 5.227510 6.625782 7.792286 5.691854 6.176362 4.962521 8.584476 7.096914 4.936548 3.624993 8.139546 2.507849 3.642227 5.345030 9.270981 8.968248 4.191750 1.327718 0.000000 2.701729 3.634880 2.946323 3.720154 2.052595 4.412583 6.226903 1.095751 2.121284 2.434498 2.106365 3.257634 2.761165 2.678826 4.068621 5.074949 2.954288 5.380584 5.606455 4.962960 4.023292 4.305021 6.554996 6.707005 7.176166 0.000000 3.932712 4.852414 2.871438 2.585324 2.858056 4.137824 5.977304 2.169134 1.090399 4.225618 2.782700 2.926914 2.153731 4.649610 4.993371 5.578940 5.389154 6.297088 5.120339 4.835881 5.994269 5.665269 6.124133 7.269562 7.611318 3.040859 0.000000 3.979741 5.022263 2.627522 3.915944 3.408067 5.349964 7.218191 2.121639 1.091035 4.443318 2.714182 4.044190 2.140095 4.573827 5.069160 6.062206 4.876951 6.818611 6.457335 5.972840 5.497465 5.541411 7.476058 8.023538 8.534331 2.393495 1.745679 0.000000 3.761642 2.727242 5.359393 3.772559 2.103706 2.466992 3.483536 3.395497 4.524519 1.089012 4.174134 2.610543 4.624867 2.135052 4.910397 4.982878 3.313486 4.337307 3.475115 2.538238 4.275093 3.959756 3.934211 5.171974 5.031924 3.497911 4.922421 5.392313 0.000000 2.723783 3.313668 4.391435 4.009184 2.088623 3.660002 5.144177 2.664635 4.071044 1.091971 3.213151 3.108365 4.465351 2.092480 3.932830 4.478112 2.725998 4.082709 4.671996 4.091315 4.063275 4.268352 5.431506 5.306371 5.583138 2.378421 4.704403 4.656760 1.739490 0.000000 5.782818 4.289179 4.880331 4.727982 4.031626 5.446945 6.730120 3.476500 2.150844 4.903643 4.677773 4.562565 1.090504 4.529721 7.050109 7.783652 4.923584 8.274751 6.666031 5.554521 4.932218 4.539254 7.333694 9.312370 9.510756 3.713462 2.496189 2.436860 5.683658 5.549424 0.000000 5.075731 3.046081 4.713938 4.765347 3.272207 5.120563 6.414570 2.781598 2.176942 3.699414 4.197348 4.252249 1.091953 3.039708 6.457830 7.300992 3.206714 7.576983 6.466479 5.152979 3.307505 3.194537 7.116058 8.735274 8.953529 2.555406 3.073728 2.528375 4.599133 4.242653 1.757816 0.000000 5.111688 2.853470 4.882890 3.787476 2.786904 3.905811 5.037897 2.882511 2.181674 3.546367 4.294760 3.275251 1.089441 3.262678 6.465082 6.972523 4.039042 7.194866 5.191032 3.846894 4.157632 3.477397 5.736772 8.127637 8.158808 3.244357 2.509078 3.064464 4.147439 4.403122 1.753153 1.765349 0.000000 2.086647 7.480598 2.339985 4.082438 4.588549 5.705054 7.842661 3.998841 4.931131 5.294714 2.494933 4.593741 6.366386 6.461667 1.089425 2.155530 6.967007 3.488124 6.015983 6.959097 8.261011 8.474002 7.338759 4.656334 5.759260 4.408930 4.918107 4.912929 5.780122 4.772179 7.070919 6.675329 6.730563 0.000000 2.036503 7.183041 3.479739 4.787850 4.630063 5.798973 7.765726 4.304931 5.594182 4.833960 3.092167 4.885512 6.836188 6.001969 1.091782 2.161037 6.377288 2.773720 6.142324 6.920017 7.774919 8.136315 7.341639 4.150271 5.279153 4.399876 5.836272 5.674787 5.226504 4.034241 7.704528 6.917755 7.125612 1.763631 0.000000 2.670342 7.135862 3.683522 2.977675 4.191797 4.176076 6.099714 4.369584 5.328063 4.944996 3.331223 3.540811 6.571639 6.367153 2.143440 1.093317 7.275745 2.169205 3.997293 5.522633 8.498884 8.364990 5.298481 2.773909 3.642467 5.111031 5.021433 5.779338 4.985436 4.741164 7.344888 7.082246 6.534763 2.497699 3.059439 0.000000 3.332810 8.348988 4.466922 4.657917 5.498083 5.719261 7.549783 5.515162 6.611203 5.988764 4.255676 5.101944 7.921625 7.396483 2.107425 1.093968 8.117364 2.153265 5.504698 7.010804 9.453236 9.514302 6.720300 2.725113 3.984252 6.029512 6.446403 6.882769 6.048330 5.495261 8.722914 8.294987 7.999913 2.400021 2.495711 1.750899 0.000000 4.799048 3.252511 5.739723 6.141767 3.939822 5.853398 6.981224 3.898530 4.771533 2.989863 4.816645 5.256303 4.591473 2.173241 6.019823 6.930625 1.078631 6.665477 7.068407 5.862756 2.253121 3.267156 7.638055 7.952798 8.237671 2.944469 5.762820 5.023482 3.773268 2.708650 5.504329 3.770161 4.805287 6.643710 5.900585 7.245279 7.873709 0.000000 3.322616 7.291325 5.358532 5.119314 5.036419 5.266746 6.764617 5.435254 6.855154 4.889863 4.626365 4.961009 7.869281 6.247403 2.748732 2.143580 6.883862 1.096195 5.194177 6.277748 8.251325 8.403268 6.152153 2.121708 3.150676 5.649519 6.989761 7.282806 4.734985 4.213875 8.853280 7.992411 7.816218 3.721563 2.521141 3.059413 2.489854 6.587897 0.000000 2.712607 5.867191 4.788390 3.686576 3.589892 3.518783 5.060643 4.313962 5.675247 3.542680 3.851190 3.351319 6.546288 4.995704 2.830575 2.174033 5.883197 1.093157 3.528457 4.535709 7.150919 7.082885 4.515270 2.128613 2.630919 4.701067 5.748646 6.305106 3.253735 3.180645 7.539816 6.762032 6.336262 3.843995 3.127053 2.537971 3.068892 5.842283 1.754262 0.000000 4.521311 6.107760 5.620424 2.719629 3.970159 2.158531 3.299470 4.985333 5.688946 4.596728 4.908708 2.753288 6.345237 5.888651 4.875804 3.930046 7.156572 3.682356 1.076500 3.232155 8.056516 7.453552 2.225147 3.507621 3.096196 5.846304 5.245950 6.584323 4.102019 5.006496 7.107408 6.977986 5.786696 5.446652 5.696485 3.202563 4.695266 7.554453 4.734672 3.234837 0.000000 5.427002 2.440655 6.338065 3.911846 2.921566 2.151565 2.114978 4.216891 4.581482 2.888394 5.347312 2.853918 4.138748 3.079578 6.639856 6.572650 4.374391 6.157945 3.234840 1.077600 4.653700 3.648075 3.180439 6.687116 6.255190 4.617576 4.691864 5.640909 2.498749 3.949500 4.938329 4.415104 3.187282 7.301145 7.227984 6.180211 7.641204 5.249408 6.826538 5.126966 4.218718 0.000000 7.159514 3.255159 7.708212 7.689327 5.518499 7.094738 7.660651 5.590084 5.845513 4.720112 6.882863 6.732086 4.932412 3.275367 8.504446 9.336176 2.253306 9.057273 8.409003 6.630654 1.077815 2.173372 8.674077 10.218514 10.278994 4.795123 6.814287 6.131965 5.313773 4.976279 5.519361 3.934121 4.995303 9.053895 8.531874 9.461996 10.346661 2.741426 9.117427 8.114469 9.128838 5.690496 0.000000 7.393911 2.070600 7.914035 6.839193 5.007002 5.813464 5.830692 5.541973 5.524718 4.480470 7.033597 5.832634 4.284736 3.178225 8.812880 9.308649 3.288971 8.981086 7.068129 4.970534 2.231835 1.078204 7.042849 9.879335 9.657285 5.228381 6.183414 6.182645 4.744511 5.263415 4.783919 3.733854 3.784274 9.386060 9.129924 9.155288 10.395042 4.320776 9.331256 7.931391 7.968575 3.901775 2.730796 0.000000 6.851152 6.474684 8.083674 4.961248 5.561255 3.229393 2.146691 6.885551 7.472244 5.743748 7.233975 4.549707 7.639436 6.688955 7.384667 6.446244 8.013849 5.762963 2.188327 3.155269 8.602245 7.723384 1.078489 5.276068 4.235180 7.603585 7.110856 8.507922 4.888171 6.387235 8.360722 8.188204 6.778879 8.078162 8.065292 5.871200 7.194324 8.631566 6.646502 5.136670 2.735626 4.165590 9.656356 7.965685 0.000000 4.994837 8.863892 6.590360 5.615394 6.412114 5.782778 7.000260 6.961550 8.147489 6.600102 6.073769 5.786160 9.221003 8.066551 4.201108 2.783194 8.956094 2.200725 5.095051 6.882687 10.232307 10.121433 5.956693 1.087560 2.082559 7.493768 7.944952 8.675575 6.225010 6.238644 10.107483 9.597744 9.017235 4.825436 4.425187 3.089010 2.552340 8.847647 2.586787 3.081518 4.279925 7.720160 11.192863 10.920755 6.091784 0.000000 6.198363 8.592854 7.902459 5.940506 6.672158 5.268465 5.723493 7.637989 8.744537 6.706493 7.176554 5.856495 9.521715 8.088714 5.887023 4.492475 9.160165 3.492344 4.230042 6.039673 10.253297 9.890258 4.575585 2.106710 1.082893 8.227485 8.491301 9.503951 5.991298 6.643767 10.418053 9.935229 9.047419 6.641884 6.234139 4.434757 4.682479 9.287487 4.066840 3.710625 3.649616 7.009266 11.268328 10.528285 4.361069 2.417803 0.000000 5.028239 6.779809 6.882030 4.776954 5.073518 3.734509 4.270721 6.179472 7.337195 4.952886 5.975451 4.399773 7.970634 6.290539 5.103067 3.982566 7.379942 2.781102 2.965089 4.421887 8.434808 8.064029 3.362340 2.112775 1.084269 6.695216 7.217134 8.158774 4.173877 4.969189 8.919544 8.300442 7.461431 5.999162 5.467927 3.943319 4.577652 7.572003 3.440074 2.450867 2.724825 5.315447 9.452089 8.712405 3.500617 3.064762 1.842875 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2792071 0.1823809 0.1421541 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.455615 0.000000 2.259534 6.259002 0.000000 3.045253 4.998300 3.435241 0.000000 2.658539 3.055999 3.584015 2.275605 0.000000 4.140787 3.936985 5.308830 2.288609 2.376426 0.000000 6.258779 4.414788 7.505081 4.404817 4.286291 2.220297 0.000000 2.361832 3.832673 2.428433 2.717453 1.476083 3.716458 5.702118 0.000000 3.697497 4.201269 2.864189 3.095866 2.519150 4.338529 6.166319 1.533422 0.000000 3.227301 2.444799 4.626999 3.609709 1.481366 2.905753 4.302931 2.509473 3.687393 0.000000 1.333113 5.249369 1.211908 2.798642 2.486714 4.324872 6.497342 1.533202 2.552820 3.445609 0.000000 3.015441 3.902906 3.903167 1.223797 1.353948 1.430299 3.605000 2.408707 3.082174 2.511317 2.955857 0.000000 4.901967 3.386765 4.357823 4.037408 3.021080 4.617895 6.007979 2.548885 1.528932 3.835373 3.915835 3.697553 0.000000 4.425213 1.371138 5.428905 4.702102 2.470584 3.935312 4.898979 3.104632 3.895873 1.486393 4.361145 3.616535 3.506931 0.000000 1.458863 6.874357 2.783083 3.877348 4.041279 5.113446 7.198262 3.748857 4.937484 4.562823 2.420813 4.118847 6.257300 5.823022 0.000000 2.405228 7.225104 4.011896 3.888029 4.419147 4.756668 6.648264 4.590082 5.787540 4.861784 3.503832 4.123397 7.015552 6.288046 1.517741 0.000000 5.055801 2.232812 5.884795 5.828619 3.564815 5.277264 6.217541 3.758020 4.471300 2.608472 4.931167 4.832298 3.995682 1.360335 6.409984 7.076518 0.000000 2.930593 6.798195 5.018298 4.427567 4.420205 4.533602 6.113449 4.944122 6.318799 4.406816 4.215551 4.249193 7.319752 5.837452 2.553642 1.537975 6.627639 0.000000 4.773446 5.241796 6.056795 2.864590 3.610660 1.389495 2.258747 4.861737 5.505902 4.080083 5.157598 2.482481 5.919788 5.220911 5.420449 4.685123 6.553496 4.424732 0.000000 5.253235 3.336120 6.383571 3.500537 3.049126 1.379680 1.309469 4.447000 4.909487 3.165821 5.362776 2.536930 4.751922 3.750532 6.343396 6.033784 5.096964 5.620378 2.222733 0.000000 6.350381 2.235067 6.952903 6.697912 4.526646 6.001915 6.598229 4.736232 5.077015 3.717385 6.072755 5.693545 4.179752 2.243326 7.747682 8.397206 1.435751 7.959082 7.317764 5.541743 0.000000 6.497408 1.367468 7.103740 6.227296 4.244511 5.292194 5.610296 4.727297 4.898326 3.599640 6.185126 5.192186 3.814014 2.205110 7.933991 8.419510 2.234596 7.992691 6.596276 4.616113 1.357742 0.000000 6.006266 5.436417 7.332144 4.097643 4.538610 2.191432 1.387373 5.903705 6.470336 4.744325 6.388022 3.565845 6.620574 5.665346 6.704089 5.920511 7.008413 5.450864 1.362515 2.153228 7.593597 6.723088 0.000000 4.304611 7.589353 6.299412 5.093733 5.391571 4.840041 6.021054 6.141488 7.432097 5.352842 5.514571 4.941397 8.358735 6.792325 3.884486 2.525202 7.703575 1.501436 4.308180 5.848181 8.959663 8.846963 5.127876 0.000000 5.013008 7.289199 7.028082 5.208228 5.455947 4.402162 5.131150 6.470187 7.695713 5.305143 6.127543 4.887678 8.432244 6.681051 4.900422 3.599032 7.705109 2.515059 3.675498 5.203181 8.840243 8.571813 4.200408 1.332635 0.000000 2.734066 3.634534 2.930636 3.766142 2.060605 4.436941 6.261914 1.094184 2.136777 2.448466 2.102427 3.280196 2.757149 2.683323 4.118634 5.099358 2.972977 5.281288 5.639872 4.987554 4.034810 4.310492 6.592697 6.573638 6.931284 0.000000 3.914216 4.794516 2.966744 2.533984 2.822786 4.105545 5.956532 2.159119 1.091711 4.207609 2.807313 2.876843 2.168650 4.627494 4.997854 5.676058 5.386477 6.348505 5.112248 4.797355 5.974089 5.620870 6.115472 7.328654 7.559870 3.043245 0.000000 3.991886 5.041593 2.606877 3.909979 3.423281 5.367489 7.249028 2.126504 1.092516 4.484341 2.704248 4.045558 2.162648 4.618173 5.089061 6.149935 4.940568 6.820965 6.488350 5.990046 5.546643 5.569067 7.511294 8.036751 8.440165 2.432185 1.753797 0.000000 3.775540 2.724161 5.408659 3.792753 2.107151 2.452189 3.496383 3.415094 4.534106 1.087815 4.208228 2.613299 4.629425 2.135238 4.950698 4.918437 3.329509 4.223705 3.451000 2.552862 4.291577 3.975270 3.927102 4.897647 4.612147 3.509854 4.882005 5.417617 0.000000 2.743051 3.336094 4.398958 4.057081 2.093704 3.675679 5.180131 2.679865 4.091579 1.092265 3.223739 3.131242 4.477337 2.103497 3.972946 4.395478 2.758208 3.873571 4.678870 4.126899 4.100455 4.305865 5.451967 4.995722 5.161183 2.390201 4.688003 4.695011 1.755447 0.000000 5.804754 4.248874 4.934697 4.701091 4.039372 5.423878 6.699408 3.490976 2.163937 4.917841 4.707730 4.541061 1.093469 4.533233 7.091910 7.874818 4.933767 8.287670 6.663903 5.509124 4.914537 4.492880 7.323882 9.304737 9.375749 3.736165 2.510119 2.483342 5.672763 5.568187 0.000000 5.106425 3.104883 4.701648 4.806295 3.333037 5.183619 6.492429 2.796147 2.181923 3.766872 4.201732 4.301616 1.094499 3.100312 6.503653 7.364476 3.239179 7.544149 6.543261 5.215272 3.325559 3.228808 7.200594 8.666235 8.766030 2.556126 3.084744 2.536179 4.661478 4.292561 1.769445 0.000000 5.078887 2.730885 4.923472 3.784934 2.753311 3.889037 5.031231 2.850482 2.182270 3.484629 4.292674 3.253295 1.092091 3.167527 6.462327 7.004345 3.934262 7.158680 5.204195 3.813096 4.037646 3.353135 5.751126 8.051127 7.959334 3.179723 2.524999 3.079649 4.076154 4.336048 1.765539 1.766157 0.000000 2.088949 7.472508 2.362871 3.999126 4.535357 5.632955 7.792207 3.995288 4.914058 5.298723 2.496370 4.514945 6.358715 6.490327 1.089377 2.171399 7.061967 3.504571 5.923736 6.912780 8.341194 8.504628 7.261555 4.691240 5.716598 4.470057 4.849864 4.909185 5.764281 4.808751 7.068055 6.695033 6.673841 0.000000 2.056235 7.259215 3.347168 4.868597 4.664042 5.920781 7.934477 4.294567 5.564581 4.921427 3.030255 4.962319 6.825620 6.080245 1.092715 2.179304 6.471979 2.812391 6.277292 7.065915 7.864793 8.221708 7.502542 4.212697 5.318027 4.404426 5.787965 5.609025 5.353687 4.128662 7.693711 6.914667 7.094298 1.778566 0.000000 2.651776 7.061992 3.967933 3.129093 4.165861 4.146392 6.053307 4.447933 5.464437 4.851043 3.484221 3.562843 6.681418 6.295090 2.136748 1.094839 7.233103 2.171359 3.945904 5.492203 8.462039 8.319184 5.236165 2.764569 3.558602 5.158990 5.166920 5.925487 4.843537 4.624185 7.473918 7.178257 6.591302 2.476280 3.065885 0.000000 3.344629 8.318495 4.664841 4.807323 5.501562 5.757237 7.581981 5.583907 6.722827 5.943597 4.368230 5.162075 8.015390 7.361430 2.123379 1.095958 8.103959 2.171669 5.536767 7.048713 9.446436 9.504603 6.744410 2.776098 4.004777 6.076710 6.563248 6.996118 5.982509 5.425732 8.836719 8.375085 8.045899 2.463780 2.515887 1.762180 0.000000 4.875368 3.272865 5.740129 6.205488 3.971754 5.870311 6.991915 3.930690 4.809673 3.008599 4.844440 5.292498 4.591017 2.175781 6.117968 6.905082 1.079298 6.460382 7.085531 5.872844 2.261228 3.282659 7.652851 7.642720 7.798080 2.975229 5.780452 5.102858 3.795829 2.744960 5.532227 3.791277 4.711589 6.788836 6.007431 7.215353 7.868237 0.000000 3.300113 7.243433 5.385700 5.341416 5.042022 5.452789 6.986280 5.419865 6.870683 4.827535 4.631696 5.103362 7.867597 6.151826 2.778415 2.153359 6.750095 1.098518 5.447508 6.455587 8.137243 8.339409 6.414463 2.133608 3.202450 5.563877 7.030931 7.268580 4.730978 4.084617 8.864355 7.962462 7.788040 3.776801 2.591044 3.064392 2.492933 6.418395 0.000000 2.578205 5.724225 4.789684 3.907485 3.514666 3.708905 5.284261 4.219958 5.632304 3.353898 3.797018 3.471824 6.485440 4.785813 2.786894 2.168980 5.631565 1.093866 3.830056 4.697039 6.929686 6.923000 4.810607 2.135533 2.636172 4.513952 5.745167 6.231742 3.133476 2.888567 7.492131 6.667325 6.256762 3.791372 3.116015 2.533092 3.074333 5.552115 1.762870 0.000000 4.512815 6.053438 5.775562 2.752714 3.960104 2.157352 3.319159 5.017189 5.713603 4.573868 4.990270 2.758154 6.373697 5.860811 4.893130 3.990461 7.144887 3.926180 1.076316 3.245860 8.033267 7.417881 2.238531 3.711779 3.264331 5.862418 5.233148 6.599585 4.056741 4.986683 7.103357 7.036312 5.794798 5.319820 5.802595 3.145379 4.726940 7.558550 5.008811 3.575843 0.000000 5.452879 2.384382 6.424276 3.914676 2.949943 2.155332 2.135473 4.241214 4.575092 2.916451 5.403201 2.863908 4.122924 3.074611 6.695925 6.605259 4.361947 6.204577 3.251123 1.077855 4.617363 3.598487 3.206119 6.613009 6.051340 4.625126 4.636996 5.644036 2.523395 3.982871 4.874626 4.465282 3.125949 7.257355 7.347670 6.148130 7.665671 5.248887 6.943415 5.203039 4.225790 0.000000 7.215364 3.275835 7.697073 7.706149 5.539934 7.079337 7.630272 5.602303 5.851890 4.741742 6.895724 6.736828 4.898239 3.290364 8.585602 9.317854 2.260656 8.883749 8.396837 6.599264 1.079126 2.178040 8.655744 9.923597 9.836373 4.808458 6.799850 6.185017 5.332957 5.016080 5.503257 3.935580 4.878934 9.156837 8.622062 9.434543 10.345847 2.749201 8.985002 7.876792 9.108090 5.651802 0.000000 7.410452 2.079622 7.915095 6.799614 5.010289 5.761576 5.767083 5.535663 5.496419 4.498079 7.036412 5.798892 4.232351 3.199925 8.854193 9.284881 3.305444 8.871153 7.021109 4.901564 2.243261 1.078118 6.992756 9.641746 9.270285 5.225041 6.117819 6.191158 4.752683 5.295671 4.711026 3.760312 3.661938 9.388381 9.203649 9.100499 10.377873 4.338101 9.280376 7.793806 7.914483 3.832004 2.744761 0.000000 6.881716 6.433679 8.254022 5.002600 5.590573 3.247415 2.158526 6.943763 7.514124 5.752105 7.339156 4.583468 7.680688 6.680145 7.442487 6.498854 8.009150 5.976765 2.197235 3.176609 8.579957 7.691099 1.079014 5.392084 4.320488 7.641160 7.108928 8.545762 4.877196 6.402434 8.354397 8.274312 6.800066 7.996504 8.234605 5.801203 7.214188 8.640306 6.936033 5.463013 2.758906 4.192260 9.632009 7.912594 0.000000 4.978371 8.656151 6.828064 5.849973 6.347865 5.809186 6.983663 6.980900 8.242070 6.385376 6.184328 5.854006 9.262863 7.832131 4.265382 2.839953 8.706625 2.206632 5.173597 6.862736 9.991534 9.911010 5.990382 1.090044 2.092712 7.431088 8.086856 8.776306 5.975606 5.973806 10.180488 9.595664 9.004637 4.940972 4.518044 3.140787 2.651073 8.586358 2.563422 3.089756 4.445495 7.658279 10.941612 10.715600 6.143322 0.000000 6.057464 8.150245 8.010975 6.021799 6.430767 5.121385 5.524594 7.487191 8.656626 6.292838 7.147837 5.757909 9.365556 7.633974 5.866118 4.479117 8.686668 3.504108 4.182139 5.823199 9.772158 9.436692 4.475796 2.115237 1.085803 7.984312 8.452971 9.426749 5.526257 6.206274 10.281077 9.739919 8.836238 6.620559 6.289151 4.362857 4.720095 8.815599 4.116901 3.719403 3.749120 6.740010 10.773030 10.076998 4.327730 2.433881 0.000000 4.804297 6.314980 6.839711 4.781530 4.758280 3.596491 4.185095 5.922522 7.125999 4.485525 5.828400 4.247215 7.707338 5.794434 5.012137 3.916946 6.867357 2.780340 3.012898 4.243243 7.927466 7.593364 3.424045 2.115515 1.086687 6.350505 7.046515 7.946782 3.680959 4.479097 8.665802 8.010222 7.156987 5.875766 5.467342 3.802620 4.560633 7.058287 3.509672 2.445773 2.908105 5.058530 8.934907 8.256975 3.684261 3.073396 1.849462 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2666664 0.1854692 0.1447228 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= 711 710 711 711 711 MxSgAt= 48 MxSgA2= 48. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2343.1975607078 48 48 48 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 -0.0585810487 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2383.0306536453 48 48 48 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 -0.0633065279 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2317.8334433360 48 48 48 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 -0.0576484524 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2340.0005706981 48 48 48 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 -0.0585009366 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2346.9452484821 48 48 48 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 -0.0588706440 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.5228942360 48 48 48 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 -0.0590363618 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2345.1413956519 48 48 48 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 -0.0588659292 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2346.3499743172 48 48 48 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 -0.0589420261 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2346.6153038726 48 48 48 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 -0.0589690153 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2347.3682159795 48 48 48 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 -0.0590267307 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2347.5543033980 48 48 48 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 -0.0590509244 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.6617360067 48 48 48 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 -0.0591312227 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2349.1377503828 48 48 48 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 -0.0591797405 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2349.0873224700 48 48 48 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 -0.0591582650 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2349.3059743998 48 48 48 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 -0.0591654129 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2349.3184424021 48 48 48 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 -0.0591612949 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2349.0792494589 48 48 48 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 -0.0591244513 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.9013373904 48 48 48 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 -0.0591008045 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.7597918791 48 48 48 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 -0.0590775554 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.6107529553 48 48 48 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 -0.0590597062 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.3596850050 48 48 48 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 -0.0590333523 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.2930226463 48 48 48 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 -0.0590290923 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.2261027484 48 48 48 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 -0.0590248355 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2348.2102840621 48 48 48 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 -0.0590248195 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 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= 688 RedAO= T EigKep= 2.54D-06 NBF= 688 NBsUse= 687 1.00D-06 EigRej= 9.09D-07 NBFU= 687 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= 711 708 711 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.60494600444 -1164.82669481930 -0.221748814860 -1165.20241842918 -0.375723609879 -1165.27349407633 -0.071075647154 -1165.28678056893 -0.013286492599 -1165.28748117495 -0.000700606014 -1165.28755033130 -0.000069156358 -1165.28755702111 -0.000006689806 -1165.28755743896 -0.000000417852 -1165.28755753889 -0.000000099929 -1165.28755754177 -0.000000002879 -1165.28755754243 -0.000000000655 -1165.28755754246 -0.000000000031 -1165.28755754252 -0.000000000058 -1165.28755754 14 1.161100492026e+03 -7.432689392714e+03 2.748292728324e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. -7.27151428e-01 -9.95609653e-01 2.36880947e+00 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 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.000605446 0.002215812 0.011496020 0.014381621 0.010546298 -0.004068237 -0.000806422 -0.005660265 -0.014588852 0.007309405 -0.004887676 -0.016119457 0.000463346 0.001442759 0.000168859 -0.001408852 -0.002026644 -0.000323359 0.003552663 0.012559991 0.009200221 -0.006870237 -0.002134606 -0.002148754 -0.001046025 0.000821752 -0.004133785 0.000266862 -0.001498662 0.009159577 -0.005410430 0.005401102 0.002217613 -0.003558760 0.002007531 0.006606617 -0.002390619 0.003842935 0.000384355 0.004234771 -0.012028428 0.000981750 0.004588387 -0.011001444 -0.002651041 0.001863405 -0.000893265 -0.002169299 -0.004617747 -0.006511093 0.001283597 -0.001253932 0.001301092 0.002198680 0.009192611 -0.006147515 -0.002307641 -0.016666524 0.004707132 -0.000084968 -0.007385974 -0.001867381 0.001817447 -0.009535472 0.011626679 0.001466869 0.013122020 -0.000251479 0.001637512 0.000447936 -0.002021679 0.000243185 0.002038531 0.003416135 0.002153732 0.001414815 -0.000711693 -0.000050544 0.002155166 -0.000738508 0.000724681 -0.000019578 -0.001958358 -0.000473353 -0.000058070 0.001324908 -0.001158648 -0.000292573 -0.001205466 -0.001348877 -0.000624616 0.001036248 -0.002049270 -0.000913616 -0.000584137 0.001733346 0.001562654 0.000320786 0.001977002 -0.001478775 0.002067978 -0.000874818 -0.001135246 0.000455056 0.001377761 -0.000692048 0.001505976 -0.000419463 0.000938081 -0.001564857 -0.000207915 0.000152114 -0.000511196 -0.000233927 -0.000696490 -0.001746375 0.000673981 -0.001040772 0.000925101 -0.000731914 -0.001556590 -0.000322641 -0.000458098 -0.000992635 -0.001475527 -0.000583451 -0.000853790 0.000190171 0.000134187 0.000779203 0.000164238 -0.000256072 0.000573765 0.000121012 0.000276718 0.000700245 -0.001495560 -0.000938515 0.002069624 0.000100918 0.000477552 -0.001106881 0.001142843 -0.000011003 0.016666524 0.004574721 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.29130179221 -1165.29130231880 -0.000000526588 -1165.29130232289 -0.000000004088 -1165.29130232433 -0.000000001444 -1165.29130232478 -0.000000000450 -1165.29130232465 0.000000000134 -1165.29130232458 0.000000000070 -1165.29130232 7 1.160442447840e+03 -7.412539243440e+03 2.738651731122e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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) PT303251.300S Tue Jan 11 18:03:09 2022 -5.64605492e-01 -1.02090438e+00 2.45672609e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2913023 3.096E-9 4.718E-6 14.1786887,1.417125,-15.5958138,-13.4681749,-5.9050949,-8.0914189 C01 [X(C18H23N3O4)] -1.6345452 -1.5312272 1.5427681 -0.000000671 0.000002668 0.000001061 -0.000002703 0.000002437 -0.000004914 0.000005287 0.000006164 0.000016298 0.000001899 -0.000004421 -0.000009826 0.000009147 -0.000001746 -0.000012134 -0.000018774 0.000006260 0.000000529 -0.000007679 0.000000371 -0.000012285 0.000005417 -0.000002767 0.000009954 0.000000137 -0.000001901 0.000002857 -0.000009050 0.000007049 -0.000004464 -0.000003993 -0.000015207 -0.000013750 -0.000006806 0.000004337 0.000009161 0.000003740 -0.000006537 -0.000000688 0.000003428 0.000000464 -0.000000758 0.000005487 0.000000445 0.000004491 -0.000009083 -0.000002437 0.000007209 0.000004538 -0.000001118 -0.000001332 -0.000000213 -0.000003344 -0.000001488 0.000007525 -0.000005206 -0.000001500 0.000011457 -0.000005209 0.000005897 -0.000003407 0.000007740 -0.000005446 0.000002157 0.000001612 0.000001808 0.000004275 -0.000002205 0.000002528 -0.000000917 0.000000241 0.000002030 -0.000001457 0.000000142 0.000002607 -0.000000786 -0.000000214 -0.000003020 0.000002439 -0.000000362 -0.000001803 0.000001700 -0.000000101 -0.000002629 0.000000803 0.000000554 0.000000035 0.000001603 -0.000000243 0.000002856 0.000000309 0.000000171 -0.000003296 0.000000480 0.000002111 -0.000002234 0.000001873 0.000002805 -0.000003155 -0.000001094 -0.000001403 0.000000880 -0.000002618 -0.000000326 0.000002205 0.000000848 -0.000001430 0.000001186 0.000000608 -0.000001468 0.000002533 -0.000002180 0.000003129 0.000000566 -0.000002809 0.000001911 0.000004148 -0.000001663 0.000001000 0.000003259 0.000001634 0.000000039 0.000001799 -0.000000789 0.000000366 -0.000001375 -0.000000506 0.000001352 -0.000004821 0.000001674 0.000002774 -0.000003676 0.000000490 -0.000000276 0.000000466 -0.000000532 0.000000257 0.000003679 -0.000000951 0.000000502 0.000002940 -0.000000275 0.000001022 0.000001614 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS7 PAULAPLA Optimization pefurazoate CONF151 octanol EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization pefurazoate CONF151 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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/pefurazoate/octanol/CONF151/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3331 1.4589 1.3711 1.3675 1.2119 1.2238 1.4761 1.4814 1.3539 1.4303 1.3895 1.3797 1.3095 1.3874 1.5334 1.5332 1.0942 1.5289 1.0917 1.0925 1.4864 1.0878 1.0923 1.0935 1.0945 1.0921 1.3603 1.5177 1.0894 1.0927 1.538 1.0948 1.096 1.4358 1.0793 1.5014 1.0985 1.0939 1.3625 1.0763 1.0779 1.3577 1.0791 1.0781 1.079 1.3326 1.09 1.0858 1.0867 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 120.1708 107.258 116.1034 116.6023 124.6217 123.3692 129.056 106.771 105.924 113.6493 111.4366 105.6251 112.7031 107.6454 105.0682 112.6773 109.5174 106.9542 110.582 110.0587 106.823 112.7074 109.2451 107.9275 111.1449 108.3509 107.2632 125.1349 110.7809 123.9961 123.8834 118.9453 117.1681 110.1041 111.4744 111.6492 107.9413 107.767 107.7479 117.5876 109.6579 132.7343 107.7942 109.2645 106.5053 111.7376 112.1727 109.1892 113.3746 108.663 107.5668 109.981 109.9397 107.0961 106.6714 125.8228 127.5049 112.3605 108.3691 109.8511 109.3177 109.7441 107.0444 105.5527 121.549 132.8885 111.2823 122.0929 126.6181 106.2131 127.4603 126.3262 110.1981 115.9989 133.8025 110.4464 121.6304 127.9226 125.0 115.8407 119.1541 121.6686 121.6226 116.7088 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 48 9.485 -173.8236 129.932 8.3169 -109.5041 178.3456 -0.2279 0.3932 -179.8376 128.5757 -102.7719 10.7949 -69.064 59.5885 173.1552 -68.8196 167.1054 50.7899 130.4039 6.3289 -109.9866 -6.5158 172.8246 154.1743 -26.4852 -34.2628 146.363 134.0689 -45.3054 172.0915 -8.9055 1.5322 -179.4647 -171.0141 8.1051 -1.1747 177.9445 0.3057 -178.7647 0.7112 -179.0322 -57.2698 66.2579 -178.3335 174.7274 -61.745 53.6636 59.3361 -177.1363 -61.7277 33.569 -149.6945 162.7234 -20.5401 -80.3453 96.3912 -176.6366 -56.8682 63.7007 60.4288 -179.8028 -59.2339 -57.3607 62.4076 -177.0234 -67.7327 110.4381 55.2883 -126.5409 172.903 -8.9261 -0.0111 179.6752 -178.2896 1.3967 60.045 -62.5642 -178.184 -179.8888 57.5021 -58.1178 -56.8918 -179.5009 64.8792 -179.9612 59.1413 -57.4898 -58.0848 -178.9823 64.3866 59.6032 -61.2942 -177.9253 0.2463 -179.9847 -179.4331 0.3359 121.2447 -57.9192 -118.4046 62.4314 -1.2871 179.5489 -1.406 178.3171 179.7536 -0.5233 -0.3948 179.8927 179.8328 0.1202 -179.512 0.4438 -0.3736 179.5822 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00090 0.00154 0.00212 0.00248 0.00290 0.00364 0.00375 0.00523 0.00620 0.00839 0.01076 0.01167 0.01222 0.01277 0.01484 0.01770 0.01910 0.02058 0.02145 0.02189 0.02284 0.02643 0.03105 0.03752 0.03775 0.03854 0.03872 0.04048 0.04148 0.04277 0.04327 0.04482 0.04500 0.04542 0.04574 0.04818 0.05017 0.05159 0.05479 0.05515 0.05847 0.05993 0.06347 0.06358 0.06483 0.07167 0.07193 0.07808 0.08607 0.08795 0.08999 0.09374 0.09960 0.10054 0.10117 0.10404 0.10641 0.10694 0.11018 0.11400 0.12030 0.12124 0.12502 0.13258 0.13360 0.13600 0.14312 0.15662 0.15873 0.16357 0.16637 0.17872 0.18407 0.19969 0.20085 0.20732 0.21324 0.21506 0.21761 0.22136 0.23199 0.23470 0.23996 0.24039 0.24296 0.25267 0.25630 0.26943 0.28339 0.28880 0.30025 0.30553 0.31077 0.31211 0.31747 0.32174 0.32311 0.32636 0.32662 0.33044 0.33096 0.33393 0.33457 0.33590 0.33659 0.33685 0.33957 0.34123 0.34301 0.34397 0.34434 0.34925 0.35119 0.35149 0.35368 0.35436 0.36927 0.36961 0.37340 0.37350 0.37579 0.37617 0.37891 0.38018 0.39664 0.42459 0.42545 0.45890 0.46227 0.46495 0.47627 0.54271 0.54919 0.57672 0.61845 0.64753 0.78206 0.82557 Angle between quadratic step and forces= 77.02 degrees. 1 2 0.00029414 0.00000003 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.51922 2.75685 2.59107 2.58414 2.29017 2.31264 2.78939 2.79938 2.55859 2.70287 2.62577 2.60722 2.47454 2.62175 2.89775 2.89733 2.06771 2.88926 2.06304 2.06456 2.80888 2.05567 2.06408 2.06636 2.06830 2.06375 2.57066 2.86812 2.05862 2.06493 2.90635 2.06895 2.07106 2.71318 2.03958 2.83730 2.07590 2.06711 2.57478 2.03394 2.03685 2.56576 2.03925 2.03735 2.03904 2.51832 2.05988 2.05187 2.05354 2.09738 1.87201 2.02639 2.03509 2.17506 2.15320 2.25245 1.86351 1.84872 1.98355 1.94494 1.84351 1.96704 1.87877 1.83379 1.96659 1.91144 1.86670 1.93002 1.92089 1.86441 1.96712 1.90669 1.88369 1.93984 1.89108 1.87210 2.18402 1.93349 2.16414 2.16217 2.07599 2.04497 1.92168 1.94559 1.94865 1.88393 1.88089 1.88056 2.05229 1.91389 2.31665 1.88136 1.90703 1.85887 1.95019 1.95778 1.90571 1.97876 1.89653 1.87740 1.91953 1.91881 1.86918 1.86177 2.19602 2.22538 1.96106 1.89140 1.91726 1.90795 1.91540 1.86828 1.84224 2.12143 2.31934 1.94224 2.13092 2.20990 1.85377 2.22460 2.20481 1.92332 2.02456 2.33529 1.92765 2.12285 2.23267 2.18166 2.02180 2.07963 2.12352 2.12271 2.03695 0.16554 -3.03379 2.26774 0.14516 -1.91121 3.11272 -0.00398 0.00686 -3.13876 2.24407 -1.79371 0.18841 -1.20539 1.04001 3.02213 -1.20113 2.91654 0.88645 2.27598 0.11046 -1.91963 -0.11372 3.01636 2.69085 -0.46225 -0.59800 2.55452 2.33994 -0.79073 3.00356 -0.15543 0.02674 -3.13225 -2.98476 0.14146 -0.02050 3.10572 0.00533 -3.12003 0.01241 -3.12470 -0.99955 1.15642 -3.11251 3.04957 -1.07765 0.93661 1.03561 -3.09161 -1.07735 0.58589 -2.61266 2.84006 -0.35849 -1.40229 1.68234 -3.08289 -0.99254 1.11179 1.05468 -3.13815 -1.03383 -1.00113 1.08922 -3.08964 -1.18216 1.92751 0.96496 -2.20855 3.01773 -0.15579 -0.00019 3.13592 -3.11174 0.02438 1.04798 -1.09195 -3.10990 -3.13965 1.00360 -1.01435 -0.99295 -3.13288 1.13236 -3.14092 1.03221 -1.00339 -1.01377 -3.12383 1.12376 1.04027 -1.06979 -3.10538 0.00430 -3.14133 -3.13170 0.00586 2.11612 -1.01088 -2.06655 1.08963 -0.02246 3.13372 -0.02454 3.11222 3.13729 -0.00913 -0.00689 3.13972 3.13867 0.00210 -3.13308 0.00775 -0.00652 3.13430 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00002 -0.00003 -0.00000 -0.00004 -0.00000 0.00003 -0.00002 -0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00000 0.00000 -0.00002 0.00001 0.00000 0.00001 -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 -0.00003 0.00001 0.00001 0.00002 0.00005 -0.00003 0.00004 -0.00001 0.00001 -0.00002 0.00001 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00003 0.00001 -0.00001 0.00002 -0.00001 -0.00000 0.00000 0.00001 -0.00003 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00002 -0.00001 0.00004 0.00001 -0.00002 -0.00003 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 0.00004 -0.00001 0.00000 -0.00000 0.00000 -0.00003 0.00000 0.00002 -0.00002 -0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00002 -0.00000 0.00002 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00010 -0.00005 -0.00000 0.00000 0.00002 -0.00002 0.00001 -0.00004 -0.00002 -0.00019 -0.00021 -0.00018 0.00006 0.00004 0.00007 -0.00001 -0.00003 0.00002 -0.00028 -0.00029 -0.00025 0.00003 0.00010 0.00029 0.00036 -0.00011 -0.00018 -0.00011 -0.00018 -0.00001 -0.00001 -0.00002 -0.00002 0.00005 0.00002 0.00005 0.00002 -0.00006 -0.00002 0.00005 0.00004 0.00022 0.00019 0.00019 0.00023 0.00021 0.00021 0.00023 0.00021 0.00021 -0.00002 0.00002 -0.00005 -0.00001 -0.00006 -0.00002 0.00025 0.00025 0.00028 0.00026 0.00025 0.00029 0.00028 0.00028 0.00031 -0.00015 -0.00019 -0.00014 -0.00018 -0.00017 -0.00021 0.00001 0.00002 0.00005 0.00006 -0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00002 -0.00001 -0.00002 0.00002 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 -0.00000 -0.00002 -0.00001 -0.00004 -0.00004 -0.00005 -0.00005 0.00017 0.00016 0.00019 0.00018 0.00016 0.00015 -0.00002 -0.00001 -0.00001 -0.00001 0.00005 0.00003 0.00005 0.00003 -0.00001 -0.00002 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00002 -0.00003 -0.00000 -0.00004 -0.00000 0.00003 -0.00002 -0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00000 0.00000 -0.00002 0.00001 0.00000 0.00001 -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 -0.00003 0.00001 0.00001 0.00002 0.00005 -0.00003 0.00004 -0.00001 0.00001 -0.00002 0.00001 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00003 0.00001 -0.00001 0.00002 -0.00001 -0.00000 0.00000 0.00001 -0.00003 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00002 -0.00001 0.00004 0.00001 -0.00002 -0.00003 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 0.00004 -0.00001 0.00000 -0.00000 0.00000 -0.00003 0.00000 0.00002 -0.00002 -0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00002 -0.00000 0.00002 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00002 0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00010 -0.00005 -0.00000 0.00000 0.00002 -0.00002 0.00001 -0.00004 -0.00002 -0.00019 -0.00021 -0.00018 0.00006 0.00004 0.00007 -0.00001 -0.00003 0.00002 -0.00028 -0.00029 -0.00025 0.00003 0.00010 0.00029 0.00036 -0.00011 -0.00018 -0.00011 -0.00018 -0.00001 -0.00001 -0.00002 -0.00002 0.00005 0.00002 0.00005 0.00002 -0.00006 -0.00002 0.00005 0.00004 0.00022 0.00019 0.00019 0.00023 0.00021 0.00021 0.00023 0.00021 0.00021 -0.00002 0.00002 -0.00005 -0.00001 -0.00006 -0.00002 0.00025 0.00025 0.00028 0.00026 0.00025 0.00029 0.00028 0.00028 0.00031 -0.00015 -0.00019 -0.00014 -0.00018 -0.00017 -0.00021 0.00001 0.00002 0.00005 0.00006 -0.00000 -0.00001 0.00002 -0.00001 -0.00002 0.00002 -0.00001 -0.00002 0.00002 0.00002 0.00001 0.00002 0.00003 0.00002 0.00003 -0.00000 -0.00002 -0.00001 -0.00004 -0.00004 -0.00005 -0.00005 0.00017 0.00016 0.00019 0.00018 0.00016 0.00015 -0.00002 -0.00001 -0.00001 -0.00001 0.00005 0.00003 0.00005 0.00003 -0.00001 -0.00002 -0.00000 -0.00001 2.51922 2.75686 2.59108 2.58413 2.29015 2.31266 2.78936 2.79937 2.55855 2.70287 2.62580 2.60720 2.47452 2.62176 2.89776 2.89734 2.06770 2.88926 2.06304 2.06456 2.80887 2.05567 2.06409 2.06636 2.06830 2.06376 2.57066 2.86809 2.05863 2.06493 2.90633 2.06895 2.07107 2.71319 2.03958 2.83731 2.07590 2.06711 2.57478 2.03394 2.03685 2.56576 2.03925 2.03735 2.03904 2.51832 2.05989 2.05187 2.05354 2.09735 1.87201 2.02639 2.03511 2.17511 2.15316 2.25249 1.86350 1.84873 1.98354 1.94494 1.84353 1.96703 1.87876 1.83379 1.96660 1.91144 1.86672 1.92999 1.92089 1.86440 1.96714 1.90668 1.88369 1.93985 1.89109 1.87206 2.18403 1.93349 2.16413 2.16216 2.07599 2.04498 1.92167 1.94563 1.94866 1.88392 1.88086 1.88055 2.05229 1.91388 2.31665 1.88138 1.90702 1.85886 1.95018 1.95780 1.90570 1.97880 1.89652 1.87740 1.91953 1.91881 1.86915 1.86177 2.19605 2.22536 1.96105 1.89142 1.91728 1.90796 1.91539 1.86826 1.84224 2.12145 2.31933 1.94225 2.13092 2.20990 1.85377 2.22458 2.20483 1.92332 2.02455 2.33530 1.92765 2.12285 2.23268 2.18167 2.02181 2.07962 2.12352 2.12272 2.03695 0.16545 -3.03385 2.26774 0.14516 -1.91119 3.11270 -0.00396 0.00682 -3.13878 2.24388 -1.79392 0.18823 -1.20533 1.04005 3.02219 -1.20114 2.91651 0.88647 2.27570 0.11017 -1.91987 -0.11369 3.01646 2.69114 -0.46190 -0.59811 2.55434 2.33983 -0.79090 3.00355 -0.15544 0.02673 -3.13227 -2.98471 0.14148 -0.02046 3.10573 0.00528 -3.12006 0.01246 -3.12466 -0.99933 1.15661 -3.11231 3.04980 -1.07745 0.93681 1.03584 -3.09140 -1.07714 0.58586 -2.61265 2.84001 -0.35850 -1.40235 1.68232 -3.08264 -0.99229 1.11207 1.05494 -3.13790 -1.03354 -1.00085 1.08950 -3.08933 -1.18231 1.92732 0.96482 -2.20873 3.01756 -0.15600 -0.00018 3.13595 -3.11169 0.02444 1.04798 -1.09197 -3.10987 -3.13966 1.00358 -1.01433 -0.99295 -3.13290 1.13237 -3.14089 1.03222 -1.00337 -1.01374 -3.12381 1.12379 1.04027 -1.06980 -3.10539 0.00426 -3.14137 -3.13174 0.00581 2.11629 -1.01072 -2.06636 1.08981 -0.02230 3.13387 -0.02456 3.11221 3.13728 -0.00914 -0.00684 3.13974 3.13872 0.00213 -3.13309 0.00773 -0.00653 3.13429 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000002 0.001115 0.000294 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.399089e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3331 1.4589 1.3711 1.3675 1.2119 1.2238 1.4761 1.4814 1.3539 1.4303 1.3895 1.3797 1.3095 1.3874 1.5334 1.5332 1.0942 1.5289 1.0917 1.0925 1.4864 1.0878 1.0923 1.0935 1.0945 1.0921 1.3603 1.5177 1.0894 1.0927 1.538 1.0948 1.096 1.4358 1.0793 1.5014 1.0985 1.0939 1.3625 1.0763 1.0779 1.3577 1.0791 1.0781 1.079 1.3326 1.09 1.0858 1.0867 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 120.1708 107.258 116.1034 116.6023 124.6217 123.3692 129.056 106.771 105.924 113.6493 111.4366 105.6251 112.7031 107.6454 105.0682 112.6773 109.5174 106.9542 110.582 110.0587 106.823 112.7074 109.2451 107.9275 111.1449 108.3509 107.2632 125.1349 110.7809 123.9961 123.8834 118.9453 117.1681 110.1041 111.4744 111.6492 107.9413 107.767 107.7479 117.5876 109.6579 132.7343 107.7942 109.2645 106.5053 111.7376 112.1727 109.1892 113.3746 108.663 107.5668 109.981 109.9397 107.0961 106.6714 125.8228 127.5049 112.3605 108.3691 109.8511 109.3177 109.7441 107.0444 105.5527 121.549 132.8885 111.2823 122.0929 126.6181 106.2131 127.4603 126.3262 110.1981 115.9989 133.8025 110.4464 121.6304 127.9226 125.0 115.8407 119.1541 121.6686 121.6226 116.7088 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 9.485 -173.8236 129.932 8.3169 -109.5041 178.3456 -0.2279 0.3932 -179.8376 128.5757 -102.7719 10.7949 -69.064 59.5885 173.1552 -68.8196 167.1054 50.7899 130.4039 6.3289 -109.9866 -6.5158 172.8246 154.1743 -26.4852 -34.2628 146.363 134.0689 -45.3054 172.0915 -8.9055 1.5322 -179.4647 -171.0141 8.1051 -1.1747 177.9445 0.3057 -178.7647 0.7112 -179.0322 -57.2698 66.2579 -178.3335 174.7274 -61.745 53.6636 59.3361 -177.1363 -61.7277 33.569 -149.6945 162.7234 -20.5401 -80.3453 96.3912 -176.6366 -56.8682 63.7007 60.4288 -179.8028 -59.2339 -57.3607 62.4076 -177.0234 -67.7327 110.4381 55.2883 -126.5409 172.903 -8.9261 -0.0111 179.6752 -178.2896 1.3967 60.045 -62.5642 -178.184 -179.8888 57.5021 -58.1178 -56.8918 -179.5009 64.8792 -179.9612 59.1413 -57.4898 -58.0848 -178.9823 64.3866 59.6032 -61.2942 -177.9253 0.2463 -179.9847 -179.4331 0.3359 121.2447 -57.9192 -118.4046 62.4314 -1.2871 179.5489 -1.406 178.3171 179.7536 -0.5233 -0.3948 179.8927 179.8328 0.1202 -179.512 0.4438 -0.3736 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 713 A 688 A 688 1084 713 92 92 2348.2102840621 48 48 48 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 -0.0590248195 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 5.455615 0.000000 2.259534 6.259002 0.000000 3.045253 4.998300 3.435241 0.000000 2.658539 3.055999 3.584015 2.275605 0.000000 4.140787 3.936985 5.308830 2.288609 2.376426 0.000000 6.258779 4.414788 7.505081 4.404817 4.286291 2.220297 0.000000 2.361832 3.832673 2.428433 2.717453 1.476083 3.716458 5.702118 0.000000 3.697497 4.201269 2.864189 3.095866 2.519150 4.338529 6.166319 1.533422 0.000000 3.227301 2.444799 4.626999 3.609709 1.481366 2.905753 4.302931 2.509473 3.687393 0.000000 1.333113 5.249369 1.211908 2.798642 2.486714 4.324872 6.497342 1.533202 2.552820 3.445609 0.000000 3.015441 3.902906 3.903167 1.223797 1.353948 1.430299 3.605000 2.408707 3.082174 2.511317 2.955857 0.000000 4.901967 3.386765 4.357823 4.037408 3.021080 4.617895 6.007979 2.548885 1.528932 3.835373 3.915835 3.697553 0.000000 4.425213 1.371138 5.428905 4.702102 2.470584 3.935312 4.898979 3.104632 3.895873 1.486393 4.361145 3.616535 3.506931 0.000000 1.458863 6.874357 2.783083 3.877348 4.041279 5.113446 7.198262 3.748857 4.937484 4.562823 2.420813 4.118847 6.257300 5.823022 0.000000 2.405228 7.225104 4.011896 3.888029 4.419147 4.756668 6.648264 4.590082 5.787540 4.861784 3.503832 4.123397 7.015552 6.288046 1.517741 0.000000 5.055801 2.232812 5.884795 5.828619 3.564815 5.277264 6.217541 3.758020 4.471300 2.608472 4.931167 4.832298 3.995682 1.360335 6.409984 7.076518 0.000000 2.930593 6.798195 5.018298 4.427567 4.420205 4.533602 6.113449 4.944122 6.318799 4.406816 4.215551 4.249193 7.319752 5.837452 2.553642 1.537975 6.627639 0.000000 4.773446 5.241796 6.056795 2.864590 3.610660 1.389495 2.258747 4.861737 5.505902 4.080083 5.157598 2.482481 5.919788 5.220911 5.420449 4.685123 6.553496 4.424732 0.000000 5.253235 3.336120 6.383571 3.500537 3.049126 1.379680 1.309469 4.447000 4.909487 3.165821 5.362776 2.536930 4.751922 3.750532 6.343396 6.033784 5.096964 5.620378 2.222733 0.000000 6.350381 2.235067 6.952903 6.697912 4.526646 6.001915 6.598229 4.736232 5.077015 3.717385 6.072755 5.693545 4.179752 2.243326 7.747682 8.397206 1.435751 7.959082 7.317764 5.541743 0.000000 6.497408 1.367468 7.103740 6.227296 4.244511 5.292194 5.610296 4.727297 4.898326 3.599640 6.185126 5.192186 3.814014 2.205110 7.933991 8.419510 2.234596 7.992691 6.596276 4.616113 1.357742 0.000000 6.006266 5.436417 7.332144 4.097643 4.538610 2.191432 1.387373 5.903705 6.470336 4.744325 6.388022 3.565845 6.620574 5.665346 6.704089 5.920511 7.008413 5.450864 1.362515 2.153228 7.593597 6.723088 0.000000 4.304611 7.589353 6.299412 5.093733 5.391571 4.840041 6.021054 6.141488 7.432097 5.352842 5.514571 4.941397 8.358735 6.792325 3.884486 2.525202 7.703575 1.501436 4.308180 5.848181 8.959663 8.846963 5.127876 0.000000 5.013008 7.289199 7.028082 5.208228 5.455947 4.402162 5.131150 6.470187 7.695713 5.305143 6.127543 4.887678 8.432244 6.681051 4.900422 3.599032 7.705109 2.515059 3.675498 5.203181 8.840243 8.571813 4.200408 1.332635 0.000000 2.734066 3.634534 2.930636 3.766142 2.060605 4.436941 6.261914 1.094184 2.136777 2.448466 2.102427 3.280196 2.757149 2.683323 4.118634 5.099358 2.972977 5.281288 5.639872 4.987554 4.034810 4.310492 6.592697 6.573638 6.931284 0.000000 3.914216 4.794516 2.966744 2.533984 2.822786 4.105545 5.956532 2.159119 1.091711 4.207609 2.807313 2.876843 2.168650 4.627494 4.997854 5.676058 5.386477 6.348505 5.112248 4.797355 5.974089 5.620870 6.115472 7.328654 7.559870 3.043245 0.000000 3.991886 5.041593 2.606877 3.909979 3.423281 5.367489 7.249028 2.126504 1.092516 4.484341 2.704248 4.045558 2.162648 4.618173 5.089061 6.149935 4.940568 6.820965 6.488350 5.990046 5.546643 5.569067 7.511294 8.036751 8.440165 2.432185 1.753797 0.000000 3.775540 2.724161 5.408659 3.792753 2.107151 2.452189 3.496383 3.415094 4.534106 1.087815 4.208228 2.613299 4.629425 2.135238 4.950698 4.918437 3.329509 4.223705 3.451000 2.552862 4.291577 3.975270 3.927102 4.897647 4.612147 3.509854 4.882005 5.417617 0.000000 2.743051 3.336094 4.398958 4.057081 2.093704 3.675679 5.180131 2.679865 4.091579 1.092265 3.223739 3.131242 4.477337 2.103497 3.972946 4.395478 2.758208 3.873571 4.678870 4.126899 4.100455 4.305865 5.451967 4.995722 5.161183 2.390201 4.688003 4.695011 1.755447 0.000000 5.804754 4.248874 4.934697 4.701091 4.039372 5.423878 6.699408 3.490976 2.163937 4.917841 4.707730 4.541061 1.093469 4.533233 7.091910 7.874818 4.933767 8.287670 6.663903 5.509124 4.914537 4.492880 7.323882 9.304737 9.375749 3.736165 2.510119 2.483342 5.672763 5.568187 0.000000 5.106425 3.104883 4.701648 4.806295 3.333037 5.183619 6.492429 2.796147 2.181923 3.766872 4.201732 4.301616 1.094499 3.100312 6.503653 7.364476 3.239179 7.544149 6.543261 5.215272 3.325559 3.228808 7.200594 8.666235 8.766030 2.556126 3.084744 2.536179 4.661478 4.292561 1.769445 0.000000 5.078887 2.730885 4.923472 3.784934 2.753311 3.889037 5.031231 2.850482 2.182270 3.484629 4.292674 3.253295 1.092091 3.167527 6.462327 7.004345 3.934262 7.158680 5.204195 3.813096 4.037646 3.353135 5.751126 8.051127 7.959334 3.179723 2.524999 3.079649 4.076154 4.336048 1.765539 1.766157 0.000000 2.088949 7.472508 2.362871 3.999126 4.535357 5.632955 7.792207 3.995288 4.914058 5.298723 2.496370 4.514945 6.358715 6.490327 1.089377 2.171399 7.061967 3.504571 5.923736 6.912780 8.341194 8.504628 7.261555 4.691240 5.716598 4.470057 4.849864 4.909185 5.764281 4.808751 7.068055 6.695033 6.673841 0.000000 2.056235 7.259215 3.347168 4.868597 4.664042 5.920781 7.934477 4.294567 5.564581 4.921427 3.030255 4.962319 6.825620 6.080245 1.092715 2.179304 6.471979 2.812391 6.277292 7.065915 7.864793 8.221708 7.502542 4.212697 5.318027 4.404426 5.787965 5.609025 5.353687 4.128662 7.693711 6.914667 7.094298 1.778566 0.000000 2.651776 7.061992 3.967933 3.129093 4.165861 4.146392 6.053307 4.447933 5.464437 4.851043 3.484221 3.562843 6.681418 6.295090 2.136748 1.094839 7.233103 2.171359 3.945904 5.492203 8.462039 8.319184 5.236165 2.764569 3.558602 5.158990 5.166920 5.925487 4.843537 4.624185 7.473918 7.178257 6.591302 2.476280 3.065885 0.000000 3.344629 8.318495 4.664841 4.807323 5.501562 5.757237 7.581981 5.583907 6.722827 5.943597 4.368230 5.162075 8.015390 7.361430 2.123379 1.095958 8.103959 2.171669 5.536767 7.048713 9.446436 9.504603 6.744410 2.776098 4.004777 6.076710 6.563248 6.996118 5.982509 5.425732 8.836719 8.375085 8.045899 2.463780 2.515887 1.762180 0.000000 4.875368 3.272865 5.740129 6.205488 3.971754 5.870311 6.991915 3.930690 4.809673 3.008599 4.844440 5.292498 4.591017 2.175781 6.117968 6.905082 1.079298 6.460382 7.085531 5.872844 2.261228 3.282659 7.652851 7.642720 7.798080 2.975229 5.780452 5.102858 3.795829 2.744960 5.532227 3.791277 4.711589 6.788836 6.007431 7.215353 7.868237 0.000000 3.300113 7.243433 5.385700 5.341416 5.042022 5.452789 6.986280 5.419865 6.870683 4.827535 4.631696 5.103362 7.867597 6.151826 2.778415 2.153359 6.750095 1.098518 5.447508 6.455587 8.137243 8.339409 6.414463 2.133608 3.202450 5.563877 7.030931 7.268580 4.730978 4.084617 8.864355 7.962462 7.788040 3.776801 2.591044 3.064392 2.492933 6.418395 0.000000 2.578205 5.724225 4.789684 3.907485 3.514666 3.708905 5.284261 4.219958 5.632304 3.353898 3.797018 3.471824 6.485440 4.785813 2.786894 2.168980 5.631565 1.093866 3.830056 4.697039 6.929686 6.923000 4.810607 2.135533 2.636172 4.513952 5.745167 6.231742 3.133476 2.888567 7.492131 6.667325 6.256762 3.791372 3.116015 2.533092 3.074333 5.552115 1.762870 0.000000 4.512815 6.053438 5.775562 2.752714 3.960104 2.157352 3.319159 5.017189 5.713603 4.573868 4.990270 2.758154 6.373697 5.860811 4.893130 3.990461 7.144887 3.926180 1.076316 3.245860 8.033267 7.417881 2.238531 3.711779 3.264331 5.862418 5.233148 6.599585 4.056741 4.986683 7.103357 7.036312 5.794798 5.319820 5.802595 3.145379 4.726940 7.558550 5.008811 3.575843 0.000000 5.452879 2.384382 6.424276 3.914676 2.949943 2.155332 2.135473 4.241214 4.575092 2.916451 5.403201 2.863908 4.122924 3.074611 6.695925 6.605259 4.361947 6.204577 3.251123 1.077855 4.617363 3.598487 3.206119 6.613009 6.051340 4.625126 4.636996 5.644036 2.523395 3.982871 4.874626 4.465282 3.125949 7.257355 7.347670 6.148130 7.665671 5.248887 6.943415 5.203039 4.225790 0.000000 7.215364 3.275835 7.697073 7.706149 5.539934 7.079337 7.630272 5.602303 5.851890 4.741742 6.895724 6.736828 4.898239 3.290364 8.585602 9.317854 2.260656 8.883749 8.396837 6.599264 1.079126 2.178040 8.655744 9.923597 9.836373 4.808458 6.799850 6.185017 5.332957 5.016080 5.503257 3.935580 4.878934 9.156837 8.622062 9.434543 10.345847 2.749201 8.985002 7.876792 9.108090 5.651802 0.000000 7.410452 2.079622 7.915095 6.799614 5.010289 5.761576 5.767083 5.535663 5.496419 4.498079 7.036412 5.798892 4.232351 3.199925 8.854193 9.284881 3.305444 8.871153 7.021109 4.901564 2.243261 1.078118 6.992756 9.641746 9.270285 5.225041 6.117819 6.191158 4.752683 5.295671 4.711026 3.760312 3.661938 9.388381 9.203649 9.100499 10.377873 4.338101 9.280376 7.793806 7.914483 3.832004 2.744761 0.000000 6.881716 6.433679 8.254022 5.002600 5.590573 3.247415 2.158526 6.943763 7.514124 5.752105 7.339156 4.583468 7.680688 6.680145 7.442487 6.498854 8.009150 5.976765 2.197235 3.176609 8.579957 7.691099 1.079014 5.392084 4.320488 7.641160 7.108928 8.545762 4.877196 6.402434 8.354397 8.274312 6.800066 7.996504 8.234605 5.801203 7.214188 8.640306 6.936033 5.463013 2.758906 4.192260 9.632009 7.912594 0.000000 4.978371 8.656151 6.828064 5.849973 6.347865 5.809186 6.983663 6.980900 8.242070 6.385376 6.184328 5.854006 9.262863 7.832131 4.265382 2.839953 8.706625 2.206632 5.173597 6.862736 9.991534 9.911010 5.990382 1.090044 2.092712 7.431088 8.086856 8.776306 5.975606 5.973806 10.180488 9.595664 9.004637 4.940972 4.518044 3.140787 2.651073 8.586358 2.563422 3.089756 4.445495 7.658279 10.941612 10.715600 6.143322 0.000000 6.057464 8.150245 8.010975 6.021799 6.430767 5.121385 5.524594 7.487191 8.656626 6.292838 7.147837 5.757909 9.365556 7.633974 5.866118 4.479117 8.686668 3.504108 4.182139 5.823199 9.772158 9.436692 4.475796 2.115237 1.085803 7.984312 8.452971 9.426749 5.526257 6.206274 10.281077 9.739919 8.836238 6.620559 6.289151 4.362857 4.720095 8.815599 4.116901 3.719403 3.749120 6.740010 10.773030 10.076998 4.327730 2.433881 0.000000 4.804297 6.314980 6.839711 4.781530 4.758280 3.596491 4.185095 5.922522 7.125999 4.485525 5.828400 4.247215 7.707338 5.794434 5.012137 3.916946 6.867357 2.780340 3.012898 4.243243 7.927466 7.593364 3.424045 2.115515 1.086687 6.350505 7.046515 7.946782 3.680959 4.479097 8.665802 8.010222 7.156987 5.875766 5.467342 3.802620 4.560633 7.058287 3.509672 2.445773 2.908105 5.058530 8.934907 8.256975 3.684261 3.073396 1.849462 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2666664 0.1854692 0.1447228 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= 688 RedAO= T EigKep= 2.54D-06 NBF= 688 NBsUse= 687 1.00D-06 EigRej= 9.09D-07 NBFU= 687 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= 711 710 711 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29130232458 -1165.29130232 1 1.160442445915e+03 -7.412539239973e+03 2.738651729579e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) 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. 14851 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4954521600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 364. 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= 790000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 5.47D-14 1.00D-09 XBig12= 2.32D+02 5.45D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 5.47D-14 1.00D-09 XBig12= 4.76D+01 1.05D+00. 144 vectors produced by pass 2 Test12= 5.47D-14 1.00D-09 XBig12= 4.72D-01 4.87D-02. 144 vectors produced by pass 3 Test12= 5.47D-14 1.00D-09 XBig12= 1.89D-03 3.04D-03. 144 vectors produced by pass 4 Test12= 5.47D-14 1.00D-09 XBig12= 3.69D-06 1.06D-04. 121 vectors produced by pass 5 Test12= 5.47D-14 1.00D-09 XBig12= 6.79D-09 5.27D-06. 38 vectors produced by pass 6 Test12= 5.47D-14 1.00D-09 XBig12= 1.17D-11 3.12D-07. 3 vectors produced by pass 7 Test12= 5.47D-14 1.00D-09 XBig12= 1.68D-14 1.16D-08. InvSVY: IOpt=1 It= 1 EMax= 2.66D-14 Solved reduced A of dimension 882 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 323.01 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 345.706 0.326 353.271 -16.531 -5.754 270.042 361.355 -5.762 384.836 -23.544 -8.845 305.184 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT170862.300S Tue Jan 11 19:45:07 2022 -5.64605298e-01 -1.02090412e+00 2.45672515e+00 3.45705855e+02 3.26107873e-01 3.53271402e+02 -1.65307399e+01 -5.75357734e+00 2.70041931e+02 -7.1705 -4.3950 -0.0003 0.0003 0.0006 10.9127 18.1580 31.2268 35.1216 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.3986 31.1715 35.0170 46.4096 49.0252 55.4708 60.4998 69.4948 71.9303 83.6827 85.0406 105.0293 122.3726 128.8708 145.2665 170.5902 183.9775 219.9058 231.7580 249.2936 256.7948 272.9605 292.0674 312.0314 349.8508 372.9319 387.8711 405.4998 433.9663 482.4719 501.5046 516.8801 542.8767 606.4332 609.2523 644.8982 646.5413 659.8314 670.8717 716.7063 745.4067 754.8599 755.9280 765.6815 771.2054 794.9801 799.2702 836.8738 858.2679 872.5163 886.0253 887.6907 890.8656 899.4734 902.5336 920.0936 928.5987 947.5620 949.6614 963.0502 972.0138 976.0925 1000.6538 1019.4323 1031.1957 1033.2668 1062.9841 1069.7062 1088.4298 1093.6031 1102.0651 1117.7490 1121.7516 1133.2888 1151.2032 1157.1286 1183.4701 1200.9728 1217.8883 1238.3449 1240.8318 1243.9537 1274.6338 1278.5257 1292.3665 1302.5977 1307.7738 1315.3014 1317.5789 1321.6837 1330.5195 1362.9329 1378.4331 1382.4663 1390.3361 1395.7219 1405.5385 1407.5728 1413.5581 1444.7951 1455.8689 1464.5293 1478.9795 1482.7311 1488.2339 1489.0750 1495.4359 1499.2952 1509.4408 1529.1912 1552.0466 1632.5332 1691.0000 1692.3880 1736.7282 2997.3246 3026.3677 3027.0619 3053.3475 3057.0358 3060.9974 3062.3111 3072.4134 3076.1044 3083.4185 3096.1266 3109.9795 3110.4544 3120.4098 3129.5232 3137.6504 3200.4518 3237.3009 3244.8095 3247.2696 3267.3743 3272.2448 3285.4373 4.6500 5.0434 4.2611 4.7381 4.4479 4.6196 4.4957 4.4484 3.1866 3.4016 3.7283 3.4217 3.1382 5.1332 3.9741 4.5631 1.9405 5.5673 3.7364 2.2372 1.9189 3.4955 3.5072 3.7466 4.5433 4.4314 5.7070 2.2558 2.2448 3.3665 2.9133 5.7810 3.5668 4.2729 2.8916 1.6664 3.4311 3.7204 3.7415 5.2830 1.5979 1.3887 2.0597 1.9144 3.7855 4.0103 1.5757 1.3914 1.3255 2.1530 1.4109 2.1046 1.3771 2.2776 5.2507 6.3063 3.0793 1.4137 2.2945 2.1516 2.1878 2.1783 3.0024 1.4248 1.1659 2.5384 2.0378 2.2486 1.8956 2.6940 2.2311 2.5680 1.9364 2.1626 1.9684 1.7591 3.4703 2.2302 2.1411 4.3998 1.5657 1.8280 1.8126 1.3112 1.4616 1.4336 1.1981 3.5846 1.3361 1.2385 1.1705 1.8008 1.5069 1.4562 1.4466 2.6681 2.1184 1.5586 1.2599 1.1764 1.9866 1.0961 1.0525 1.1069 1.0407 1.2097 1.0844 1.0946 2.9215 4.5289 4.5024 6.4947 9.8763 4.6132 11.8953 1.0670 1.0371 1.0607 1.0869 1.0726 1.0719 1.0746 1.0681 1.0961 1.1008 1.0999 1.0726 1.1032 1.0773 1.1052 1.0981 1.1157 1.0931 1.0953 1.0989 1.0997 1.1066 1.1049 0.0008 0.0029 0.0031 0.0060 0.0063 0.0084 0.0097 0.0127 0.0097 0.0140 0.0159 0.0222 0.0277 0.0502 0.0494 0.0782 0.0387 0.1586 0.1182 0.0819 0.0746 0.1534 0.1763 0.2149 0.3276 0.3631 0.5059 0.2185 0.2491 0.4617 0.4317 0.9100 0.6193 0.9259 0.6324 0.4083 0.8450 0.9543 0.9922 1.5989 0.5231 0.4662 0.6934 0.6613 1.3265 1.4933 0.5931 0.5742 0.5753 0.9657 0.6526 0.9771 0.6439 1.0857 2.5200 3.1455 1.5644 0.7479 1.2192 1.1757 1.2179 1.2228 1.7713 0.8724 0.7305 1.5967 1.3567 1.5160 1.3231 1.8983 1.5966 1.8903 1.4356 1.6365 1.5370 1.3877 2.8638 1.8952 1.8711 3.9752 1.4203 1.6666 1.7351 1.2628 1.4383 1.4332 1.2073 3.6538 1.3666 1.2747 1.2209 1.9709 1.6870 1.6397 1.6476 3.0623 2.4657 1.8193 1.4832 1.4469 2.4809 1.3851 1.3565 1.4338 1.3580 1.5803 1.4288 1.4496 3.9218 6.2398 6.3900 10.1984 16.6392 7.7849 21.1392 5.6481 5.5964 5.7266 5.9702 5.9057 5.9177 5.9373 5.9403 6.1109 6.1662 6.2120 6.1121 6.2884 6.1801 6.3774 6.3694 6.7330 6.7493 6.7948 6.8270 6.9171 6.9815 7.0271 0.3913 0.3553 0.2308 0.6532 2.7883 0.2606 0.3745 0.3716 0.7447 1.3704 2.6014 1.2091 7.7770 4.3844 1.8757 2.0122 0.5672 6.5463 0.8072 2.8866 4.6910 7.1807 1.5926 13.1681 8.3222 0.7560 35.7194 10.0369 5.2760 22.7114 3.0140 4.6985 23.7946 22.6290 12.2430 19.2361 13.0582 17.3964 31.6416 26.3029 81.1003 25.9455 91.5831 3.7980 24.4982 50.0887 33.0547 26.7489 41.1130 28.3018 1.2944 12.1130 1.0320 6.3401 3.9281 12.7634 10.6698 63.8714 15.8171 10.5678 55.7740 28.3335 113.1939 91.8093 40.4511 24.6017 21.0966 41.3891 27.3603 85.3349 6.0286 27.1623 62.4919 17.8120 13.1521 64.0017 48.8885 111.6252 278.3518 94.1437 99.0270 34.5089 260.5935 26.8970 86.2120 43.5762 22.8801 22.8378 74.8793 4.0547 6.1275 193.7411 6.7399 145.4166 6.3068 68.6094 1.0578 5.6448 9.2047 1.9676 376.6874 4.6821 2.9170 17.8724 7.3325 102.4548 31.6190 20.4676 48.5320 38.2913 17.8376 11.7859 760.0544 36.3050 711.1401 33.4282 36.8681 29.2225 8.6851 17.4279 2.5620 13.1976 20.8377 89.6974 22.8307 35.1192 42.6493 53.5080 6.4208 14.7249 2.0316 25.3720 2.8110 4.5256 0.5998 31.3541 1.2406 5.9883 -0.01 0.01 0.05 -0.06 -0.01 -0.04 0.01 0.01 0.05 0.02 0.02 0.06 -0.02 0.00 0.04 -0.02 0.02 0.06 -0.04 0.01 0.05 -0.00 0.00 0.02 0.02 0.00 0.01 -0.07 0.00 0.03 0.00 0.01 0.05 -0.01 0.02 0.05 0.02 -0.00 -0.02 -0.08 -0.01 -0.02 -0.02 -0.01 0.08 0.02 -0.04 -0.02 -0.10 -0.02 -0.06 0.08 0.05 -0.09 -0.02 0.03 0.09 -0.03 0.01 0.04 -0.10 -0.03 -0.10 -0.07 -0.02 -0.09 -0.03 0.02 0.08 0.18 -0.05 -0.14 0.30 -0.02 -0.19 -0.02 -0.00 0.01 0.04 0.01 0.02 0.03 0.00 0.00 -0.08 0.00 0.04 -0.08 0.00 0.04 0.04 -0.00 -0.04 0.00 -0.00 -0.04 0.02 0.00 -0.02 -0.04 -0.08 0.13 -0.02 0.06 0.12 0.03 -0.11 -0.05 0.00 -0.08 0.00 -0.12 -0.03 -0.06 0.01 0.10 -0.05 0.11 0.13 -0.14 -0.01 0.03 0.11 -0.04 0.00 0.01 -0.11 -0.05 -0.14 -0.06 -0.02 -0.11 -0.04 0.03 0.10 0.15 -0.15 -0.12 0.38 -0.10 -0.22 0.34 0.08 -0.22 0.07 0.13 -0.14 -0.03 -0.02 -0.03 -0.07 -0.09 0.13 -0.10 0.02 -0.11 -0.03 0.01 -0.05 -0.05 0.01 -0.06 -0.03 0.01 -0.02 -0.02 -0.00 -0.01 -0.03 -0.05 0.01 -0.01 0.03 -0.05 -0.01 0.01 0.01 -0.07 0.01 -0.08 -0.05 -0.08 0.01 0.00 0.02 -0.02 0.04 0.07 -0.12 0.08 0.04 0.02 0.03 0.04 0.03 0.03 -0.01 0.06 -0.03 -0.00 0.03 -0.05 0.01 -0.08 0.02 0.02 0.05 -0.02 -0.02 0.01 -0.02 0.00 0.05 0.12 -0.08 0.22 0.22 -0.06 0.16 -0.00 0.01 0.00 -0.05 -0.06 -0.01 -0.01 -0.06 0.04 -0.01 0.03 -0.08 0.02 0.04 -0.05 -0.06 -0.11 0.03 -0.02 -0.07 0.03 -0.07 -0.07 -0.02 0.06 0.13 -0.17 -0.02 -0.02 -0.16 0.16 0.10 0.04 0.06 0.01 0.07 0.06 0.07 0.06 -0.10 -0.07 0.05 0.06 0.06 -0.02 -0.03 -0.01 0.06 -0.06 0.02 -0.13 0.04 0.02 0.09 -0.04 -0.05 -0.00 0.00 -0.01 0.11 0.09 -0.15 0.38 0.28 -0.11 0.27 0.25 0.01 -0.01 -0.06 -0.01 0.05 -0.01 -0.05 0.05 -0.00 0.03 -0.02 0.06 0.03 -0.00 0.01 0.04 -0.04 -0.01 0.04 -0.05 -0.08 0.03 -0.09 -0.00 0.04 -0.05 0.03 0.06 -0.08 0.04 0.02 -0.03 -0.02 0.02 -0.01 0.03 0.03 -0.03 0.04 0.08 -0.12 0.05 -0.02 0.02 -0.09 -0.05 0.14 -0.04 -0.09 0.13 0.10 -0.04 0.06 -0.08 -0.01 0.06 -0.03 0.07 -0.07 -0.04 0.01 -0.06 0.08 -0.09 0.11 0.01 -0.09 0.10 -0.08 0.07 -0.10 -0.00 -0.08 0.08 0.09 -0.07 -0.07 -0.04 0.05 -0.07 0.06 0.06 -0.06 0.02 0.07 -0.09 0.01 0.04 -0.04 0.08 0.04 -0.05 0.06 0.10 -0.13 0.01 0.09 -0.13 0.06 0.08 -0.10 -0.07 -0.09 0.18 -0.15 -0.00 0.17 0.04 -0.14 0.10 -0.06 -0.12 0.23 0.16 -0.03 0.05 -0.20 0.04 0.10 -0.06 0.06 -0.06 -0.01 0.10 -0.06 -0.03 -0.02 -0.05 0.11 -0.11 0.15 -0.03 -0.12 0.13 -0.10 0.09 -0.12 -0.02 -0.15 0.22 0.15 -0.12 -0.05 0.12 -0.00 -0.21 -0.06 0.05 -0.01 0.00 -0.04 0.02 -0.02 -0.06 0.07 -0.05 -0.03 -0.06 -0.04 -0.02 -0.06 0.03 -0.04 -0.01 0.15 -0.02 0.16 -0.04 -0.02 -0.06 0.00 -0.03 -0.09 0.00 -0.05 -0.04 -0.04 -0.02 0.01 -0.02 -0.03 -0.05 0.01 -0.02 -0.14 0.01 -0.04 0.00 -0.05 0.07 0.05 -0.07 0.08 0.02 0.03 -0.02 0.04 -0.14 0.18 -0.07 0.06 -0.09 0.00 0.09 -0.00 0.09 0.03 0.00 0.08 0.01 -0.01 0.07 0.13 -0.08 0.11 -0.06 0.11 -0.02 0.05 0.13 -0.08 -0.08 -0.01 -0.08 0.03 -0.05 -0.07 -0.00 -0.03 -0.07 0.02 -0.06 -0.02 0.01 -0.08 -0.07 0.03 -0.03 -0.16 -0.02 -0.01 -0.15 0.02 -0.02 -0.15 -0.02 0.03 0.09 -0.07 0.12 0.08 -0.01 0.01 -0.03 -0.06 0.10 0.12 0.04 -0.01 0.04 -0.29 0.24 -0.02 -0.12 0.24 -0.22 0.03 -0.12 -0.06 0.08 0.04 0.09 0.04 0.02 0.12 0.00 -0.01 0.08 0.18 -0.11 0.15 -0.08 0.03 0.08 0.11 0.07 -0.03 0.08 0.21 -0.18 0.03 0.06 -0.04 -0.00 -0.03 -0.00 -0.15 -0.15 0.25 -0.00 0.02 0.00 0.01 0.01 0.02 -0.00 0.02 0.01 -0.02 0.02 0.02 -0.01 0.02 0.01 0.05 0.03 -0.03 0.01 0.01 0.02 -0.05 -0.04 0.10 0.00 0.02 0.01 0.12 0.17 -0.17 0.01 -0.01 0.01 0.01 -0.00 -0.05 0.04 -0.02 -0.04 0.02 -0.02 0.01 0.10 -0.07 0.01 -0.01 0.03 -0.01 -0.01 0.01 0.03 0.01 -0.05 -0.01 -0.00 -0.06 -0.02 -0.02 0.03 -0.01 -0.00 0.02 -0.09 -0.13 -0.01 -0.01 -0.08 0.05 -0.02 0.14 -0.08 -0.01 -0.05 0.05 0.02 0.00 0.01 0.02 0.02 0.01 0.02 0.15 0.16 -0.19 0.04 0.30 -0.18 0.23 0.15 -0.25 -0.02 0.01 -0.07 0.00 -0.02 -0.06 -0.00 0.02 -0.02 0.03 -0.04 -0.11 0.03 -0.01 0.01 0.26 -0.08 -0.02 0.07 -0.15 0.14 -0.01 0.04 -0.02 -0.00 0.01 0.05 0.01 -0.07 -0.02 -0.01 -0.08 -0.03 -0.03 0.03 -0.02 0.03 0.11 -0.24 -0.21 0.06 -0.10 -0.17 -0.10 0.13 0.00 -0.04 0.01 0.02 -0.05 -0.12 0.05 -0.02 -0.03 0.05 0.01 0.00 0.00 -0.04 -0.03 -0.04 -0.01 0.01 -0.12 -0.03 0.05 0.02 -0.04 -0.05 0.06 -0.04 -0.08 0.00 -0.05 -0.03 0.03 -0.03 -0.02 0.01 -0.01 -0.01 0.05 -0.07 -0.11 0.01 0.01 -0.02 0.00 -0.03 0.03 0.00 -0.03 -0.01 0.01 0.20 0.15 0.03 -0.03 -0.01 -0.05 0.04 0.12 -0.09 -0.05 -0.02 0.03 0.25 0.15 0.03 0.09 -0.01 -0.10 0.03 0.14 0.00 -0.00 -0.06 -0.03 -0.01 -0.00 -0.01 -0.05 -0.07 0.09 -0.02 -0.06 0.09 -0.04 -0.10 0.05 -0.07 -0.01 -0.03 -0.08 -0.03 0.08 -0.07 -0.14 0.03 -0.09 -0.14 0.03 -0.06 -0.10 0.01 -0.06 0.05 0.00 -0.00 0.04 -0.02 -0.04 -0.01 0.00 -0.03 -0.03 0.00 0.29 0.26 0.08 -0.01 -0.01 0.02 -0.05 0.03 -0.01 0.07 0.17 -0.09 -0.09 -0.09 0.04 0.38 0.26 0.05 0.06 -0.08 -0.12 0.05 0.21 0.01 0.02 -0.15 -0.05 0.01 -0.04 -0.04 -0.03 0.08 0.04 -0.00 -0.04 0.10 0.18 0.15 0.03 -0.07 0.03 -0.01 0.00 -0.01 0.00 -0.05 0.00 -0.04 -0.02 0.02 -0.09 -0.03 0.03 0.02 -0.05 -0.03 0.05 -0.03 -0.05 0.01 -0.09 0.02 0.03 -0.04 -0.01 -0.02 -0.02 0.01 0.06 -0.01 -0.07 0.01 -0.01 0.01 0.03 -0.00 -0.01 0.03 0.00 0.04 -0.08 -0.08 -0.14 -0.04 0.02 0.01 -0.08 0.01 -0.06 -0.06 -0.04 0.07 -0.03 0.08 -0.07 0.08 0.24 0.11 -0.11 0.00 -0.06 -0.01 -0.00 0.07 0.02 -0.00 -0.04 0.00 -0.07 -0.05 0.07 -0.04 -0.03 0.03 -0.03 -0.06 0.06 -0.12 0.07 -0.04 -0.15 -0.01 0.08 0.02 -0.09 0.03 -0.01 -0.09 0.09 -0.01 -0.05 0.06 0.01 -0.01 0.01 -0.01 -0.01 0.08 -0.01 0.02 0.03 0.01 0.10 -0.16 -0.22 -0.27 -0.12 0.03 0.03 -0.03 0.04 -0.08 -0.08 0.03 -0.12 -0.04 -0.06 0.13 -0.06 0.08 -0.14 0.15 0.39 0.22 -0.14 0.02 -0.10 -0.02 -0.02 0.21 0.05 -0.02 0.00 0.03 0.02 -0.18 0.04 0.03 -0.02 0.01 -0.06 -0.09 0.04 0.02 -0.01 -0.12 0.06 -0.09 0.01 0.01 0.01 -0.04 0.04 -0.02 0.05 0.05 0.19 0.03 0.00 0.00 0.00 -0.03 0.03 0.01 -0.01 0.01 0.04 0.02 -0.01 -0.06 0.04 -0.04 -0.01 -0.05 0.05 0.01 0.00 -0.01 0.01 -0.04 0.06 0.06 -0.08 0.11 -0.01 0.06 0.03 0.04 -0.07 0.10 -0.06 0.02 -0.18 0.03 0.06 0.20 -0.00 0.04 -0.03 0.01 -0.03 -0.10 -0.00 0.02 -0.05 -0.01 -0.03 0.04 -0.07 -0.06 -0.17 0.05 -0.01 0.02 -0.02 -0.04 0.01 0.01 -0.03 0.05 0.03 -0.03 0.04 -0.01 -0.04 0.00 -0.03 -0.08 0.07 0.02 -0.03 0.07 -0.02 -0.04 0.01 0.03 -0.04 0.07 -0.07 -0.04 0.06 0.13 -0.08 0.11 0.04 -0.12 0.17 -0.01 0.11 0.10 0.06 -0.04 0.11 0.02 -0.10 0.09 -0.11 -0.00 -0.37 0.04 0.09 0.34 -0.01 0.07 -0.02 0.01 -0.08 -0.17 0.01 0.00 -0.12 0.00 0.03 0.16 -0.11 -0.02 -0.22 -0.09 -0.12 -0.29 0.02 -0.05 -0.01 0.00 -0.07 -0.07 0.00 0.01 -0.06 -0.00 -0.03 0.06 0.02 -0.03 0.07 0.01 -0.02 0.05 -0.02 -0.02 -0.02 0.00 -0.02 0.04 -0.01 0.01 0.04 -0.01 -0.03 0.06 0.00 -0.02 -0.01 0.01 -0.02 0.07 0.08 0.17 -0.03 -0.01 -0.01 0.03 0.05 0.01 -0.10 -0.01 0.07 -0.07 -0.03 0.06 0.08 -0.09 0.05 -0.06 -0.02 -0.02 -0.07 0.01 -0.02 0.07 -0.03 0.05 0.01 -0.01 -0.04 -0.08 -0.03 -0.02 -0.12 -0.02 -0.01 0.09 0.08 0.01 0.04 0.01 -0.04 0.04 0.04 -0.10 0.04 -0.13 0.03 0.10 0.01 -0.04 0.08 -0.03 -0.04 0.07 0.06 0.15 -0.01 0.05 0.33 -0.01 0.21 0.15 -0.14 0.05 0.07 -0.15 0.12 -0.04 -0.14 -0.01 0.08 -0.06 0.01 0.12 -0.04 -0.05 0.12 0.16 -0.24 0.02 -0.06 -0.07 0.11 -0.18 -0.03 -0.02 -0.12 0.02 -0.03 0.15 -0.04 0.10 0.02 0.01 -0.08 -0.16 -0.05 -0.02 -0.21 -0.04 -0.07 0.27 0.14 -0.04 0.16 0.11 0.08 -0.13 -0.01 0.00 0.06 -0.06 0.02 0.05 0.11 0.10 -0.09 -0.11 -0.03 -0.06 -0.05 -0.01 -0.01 -0.04 -0.02 -0.04 0.05 -0.01 -0.01 -0.01 -0.03 0.01 -0.01 -0.08 0.02 -0.05 0.00 -0.02 0.03 0.03 -0.01 -0.08 -0.02 -0.04 0.09 0.09 -0.12 -0.05 -0.01 -0.00 0.00 0.03 0.06 0.00 0.02 0.01 -0.03 -0.02 0.01 0.14 -0.03 0.08 -0.01 -0.07 -0.04 0.00 0.01 -0.02 -0.03 0.00 0.06 -0.05 0.03 0.08 0.04 -0.06 -0.02 0.09 0.01 -0.02 0.04 -0.00 0.08 0.01 -0.03 0.02 0.05 -0.27 -0.00 -0.14 -0.07 0.16 -0.06 0.01 -0.03 -0.04 0.01 -0.01 0.07 0.01 -0.09 0.04 0.33 -0.08 0.23 0.08 -0.32 -0.01 0.01 0.08 0.01 0.06 0.07 -0.10 0.07 0.04 0.00 0.02 -0.12 -0.02 -0.04 -0.02 0.29 -0.07 0.04 0.12 -0.06 0.24 -0.04 -0.10 -0.05 -0.01 0.05 -0.01 -0.02 0.00 0.08 -0.06 0.05 0.13 0.07 -0.08 -0.02 0.10 0.04 -0.19 0.00 0.03 -0.00 0.02 -0.03 0.24 -0.00 -0.05 0.04 0.09 0.03 -0.01 0.01 0.01 -0.02 -0.10 -0.01 -0.11 0.04 -0.01 0.01 -0.05 -0.01 -0.06 -0.06 -0.02 0.04 0.01 -0.01 0.06 -0.06 -0.04 0.11 0.08 0.04 -0.00 0.00 -0.02 0.01 -0.04 -0.01 -0.07 0.05 0.15 0.06 0.09 0.04 0.00 -0.00 -0.04 0.05 -0.01 -0.03 0.03 0.07 -0.00 -0.05 -0.07 0.03 -0.03 -0.02 0.00 0.11 -0.07 -0.02 -0.09 0.07 -0.04 -0.11 0.08 -0.02 -0.08 -0.03 0.00 0.17 -0.05 0.01 -0.01 -0.01 0.02 -0.03 0.05 0.02 0.09 -0.05 -0.22 0.06 -0.20 -0.03 0.24 0.09 0.04 -0.05 0.10 0.06 0.01 -0.04 0.08 0.14 0.06 0.39 0.14 0.20 0.13 -0.14 0.01 -0.05 0.06 -0.00 -0.01 0.06 0.03 -0.08 -0.00 -0.01 -0.01 0.09 0.06 -0.01 -0.06 -0.14 0.07 0.00 -0.06 0.05 -0.12 -0.00 0.01 0.17 -0.08 -0.04 -0.19 0.05 -0.08 -0.16 0.08 -0.03 -0.10 -0.02 0.01 0.29 -0.05 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.04 -0.06 -0.08 -0.03 0.08 0.10 -0.01 -0.02 -0.02 -0.00 0.02 -0.02 0.01 -0.03 0.00 -0.00 -0.01 -0.02 0.00 -0.02 -0.04 -0.00 0.07 -0.03 0.01 -0.02 -0.01 0.02 -0.03 0.07 -0.03 0.01 -0.05 -0.01 0.03 -0.01 0.00 -0.02 -0.05 -0.05 -0.00 0.07 -0.00 0.02 -0.06 0.02 0.07 -0.09 0.04 -0.05 0.04 0.00 -0.01 0.03 0.02 -0.02 -0.05 0.03 -0.12 -0.01 -0.01 0.09 0.05 -0.01 -0.08 0.08 -0.02 -0.08 -0.06 0.02 -0.06 0.06 -0.00 -0.06 0.10 0.03 0.22 -0.06 0.02 -0.03 -0.02 0.08 -0.02 0.05 0.01 -0.08 0.10 -0.05 0.03 0.06 -0.07 -0.02 -0.02 -0.02 -0.03 -0.05 -0.15 -0.03 -0.11 -0.05 0.08 -0.08 -0.04 0.11 -0.01 0.08 0.10 -0.22 0.03 -0.04 -0.08 0.05 -0.17 0.02 0.00 0.00 0.11 -0.00 -0.05 0.04 0.05 0.08 -0.06 0.04 -0.22 0.01 -0.02 0.17 0.03 -0.01 -0.12 0.10 -0.03 -0.12 -0.08 0.03 -0.11 0.05 -0.05 -0.31 0.12 0.00 0.22 0.11 0.08 0.48 0.06 0.01 -0.05 -0.02 -0.02 0.01 0.02 -0.03 0.01 -0.10 0.08 -0.05 0.01 -0.01 0.03 -0.00 0.04 0.07 0.03 0.05 -0.09 0.04 -0.01 -0.00 0.03 -0.01 0.00 -0.02 -0.02 0.02 0.04 -0.01 -0.02 -0.04 0.04 0.02 0.03 -0.02 0.01 -0.03 -0.03 0.01 0.01 -0.08 0.07 0.09 -0.15 0.04 -0.03 -0.01 0.02 -0.06 0.03 -0.14 0.01 -0.00 0.03 0.01 0.07 -0.00 -0.03 0.02 0.03 -0.02 0.01 0.02 0.03 0.01 -0.07 -0.04 0.01 -0.10 -0.01 0.03 0.16 0.05 -0.03 -0.01 0.02 -0.01 -0.00 0.03 -0.01 0.00 -0.03 -0.02 0.03 -0.03 -0.02 0.03 0.02 -0.02 0.02 0.04 -0.01 0.02 0.02 -0.01 0.00 0.01 -0.16 0.14 -0.09 0.00 0.12 0.27 -0.30 -0.06 0.06 -0.20 0.28 -0.04 -0.00 0.03 -0.23 0.16 -0.05 -0.05 0.05 -0.35 -0.00 -0.03 0.07 0.01 0.09 0.01 -0.03 0.04 0.04 -0.01 0.02 0.02 0.05 -0.01 -0.13 -0.04 -0.02 -0.22 0.01 0.02 0.24 -0.00 0.07 0.30 0.04 -0.06 0.05 -0.14 0.07 -0.01 -0.00 -0.02 0.03 0.15 -0.07 0.04 0.03 0.03 -0.05 -0.01 0.01 -0.18 -0.01 -0.00 0.20 0.05 0.01 0.04 0.02 -0.05 0.07 -0.06 0.12 -0.10 0.03 -0.02 0.04 0.06 -0.01 -0.06 0.05 -0.00 0.04 -0.06 0.07 -0.10 0.05 -0.07 -0.02 0.04 -0.06 -0.06 0.02 0.02 -0.06 -0.06 -0.01 -0.13 -0.03 0.06 -0.17 0.00 -0.02 0.05 -0.01 -0.02 0.06 -0.11 0.02 0.09 -0.03 0.04 0.07 -0.03 -0.03 -0.02 0.00 -0.01 0.11 0.07 0.06 0.07 0.02 -0.14 0.04 -0.02 -0.05 0.15 -0.10 0.15 -0.14 -0.05 0.19 -0.04 0.02 -0.07 0.08 0.07 0.11 0.08 0.09 -0.00 -0.08 0.01 -0.08 -0.02 0.09 -0.06 -0.01 0.07 -0.12 -0.09 0.04 -0.04 0.02 0.10 0.01 -0.10 -0.19 0.02 -0.09 -0.05 0.02 -0.25 -0.05 0.09 -0.31 0.01 -0.04 0.08 0.04 -0.06 0.13 -0.17 0.02 0.17 -0.04 0.06 0.13 -0.04 -0.06 -0.01 0.02 -0.02 0.22 0.01 0.02 0.11 0.01 0.12 -0.15 -0.00 -0.03 -0.03 -0.01 -0.02 -0.02 0.09 -0.08 0.04 -0.01 -0.02 -0.04 0.03 -0.06 -0.02 -0.05 -0.09 0.04 -0.02 -0.01 -0.06 -0.10 0.08 -0.02 -0.01 -0.06 -0.03 0.00 0.02 -0.09 0.05 -0.06 -0.01 -0.05 0.18 0.13 -0.02 -0.04 -0.03 -0.04 0.04 0.07 0.07 -0.04 0.13 -0.02 -0.01 -0.00 0.07 0.04 0.05 0.00 -0.02 -0.04 -0.00 -0.11 0.03 -0.01 0.03 0.01 -0.00 0.01 -0.00 -0.05 -0.03 0.00 0.05 0.06 -0.06 0.02 0.06 0.04 0.02 -0.04 -0.04 -0.15 0.10 -0.04 -0.17 0.09 -0.06 -0.00 -0.07 0.01 -0.03 -0.09 -0.05 -0.17 0.23 0.20 0.03 0.22 0.20 0.03 0.16 0.12 0.02 -0.02 0.13 -0.21 0.09 0.10 0.21 -0.09 0.09 0.02 -0.14 0.25 -0.03 -0.01 0.00 0.10 0.12 0.10 0.06 0.03 0.05 0.02 0.02 -0.07 0.01 -0.15 0.04 -0.01 0.06 0.04 0.01 0.02 -0.00 -0.09 0.00 0.01 0.06 0.08 -0.21 0.00 0.08 -0.03 0.01 0.05 0.20 -0.03 -0.14 0.07 -0.07 -0.05 -0.06 0.01 -0.14 0.05 -0.04 0.11 -0.14 0.10 -0.05 -0.03 0.03 0.03 0.04 0.01 0.04 -0.03 0.07 -0.04 -0.05 0.01 0.06 -0.02 -0.04 -0.06 -0.07 0.02 -0.11 0.01 0.02 0.03 -0.05 0.04 0.11 0.19 -0.06 -0.10 -0.13 0.03 -0.01 0.05 -0.10 0.09 -0.02 -0.03 -0.05 -0.06 0.00 0.02 0.06 0.02 0.04 0.02 0.02 0.04 0.00 -0.02 0.05 0.08 -0.04 0.04 0.07 0.01 0.04 -0.02 0.01 0.01 0.02 0.04 0.01 -0.02 0.06 -0.02 -0.05 -0.05 0.14 -0.04 -0.02 0.07 -0.11 -0.09 -0.04 -0.02 -0.07 -0.04 -0.03 -0.07 0.23 0.23 0.12 0.03 0.22 0.08 0.10 0.30 0.07 -0.02 0.06 0.11 0.02 0.06 -0.29 0.14 0.02 -0.05 0.19 -0.21 -0.02 -0.06 -0.07 0.10 -0.05 0.02 -0.00 0.02 0.19 0.03 0.05 0.03 0.02 0.03 0.01 0.01 0.12 0.18 -0.04 0.09 0.14 0.01 0.04 -0.05 0.00 -0.01 0.01 0.05 -0.01 -0.07 0.04 0.03 -0.02 0.02 -0.02 0.02 -0.02 0.02 0.01 0.02 0.01 -0.00 -0.07 -0.05 -0.01 0.02 -0.01 0.05 -0.06 -0.03 -0.07 0.01 -0.02 0.02 0.01 0.00 0.01 0.08 0.13 -0.06 -0.00 0.03 0.03 0.02 -0.00 0.01 -0.04 -0.03 -0.01 0.03 0.05 0.02 -0.01 0.04 0.03 0.03 -0.01 0.00 0.03 -0.01 -0.00 -0.00 0.02 0.02 0.01 0.00 -0.01 -0.03 -0.06 -0.03 -0.03 -0.01 -0.04 -0.01 -0.01 -0.01 -0.02 -0.02 -0.01 0.01 -0.05 0.03 0.00 0.01 0.01 -0.00 0.01 0.01 -0.03 -0.03 -0.03 0.10 0.32 0.02 0.15 0.14 -0.26 0.00 0.04 -0.00 -0.01 0.05 0.05 0.20 0.39 -0.18 -0.10 -0.35 -0.19 -0.03 0.05 0.50 0.02 -0.00 -0.00 0.04 -0.02 -0.00 0.04 -0.02 -0.01 0.03 -0.01 0.02 0.01 0.03 0.03 -0.01 0.01 -0.01 0.01 -0.00 -0.03 -0.05 -0.08 -0.03 -0.04 0.01 -0.06 -0.01 -0.04 -0.02 -0.03 -0.04 -0.02 0.04 -0.07 0.08 0.01 0.02 0.03 -0.01 0.01 0.03 -0.01 -0.00 -0.02 0.00 0.00 -0.01 -0.11 0.11 -0.02 -0.02 0.03 -0.03 -0.14 0.01 -0.16 0.06 -0.00 0.02 0.19 -0.08 0.20 -0.11 -0.14 -0.00 -0.01 0.01 0.03 0.00 -0.01 0.02 0.01 0.10 -0.02 -0.01 0.00 -0.00 0.07 -0.04 0.01 -0.01 -0.04 -0.07 0.00 0.16 -0.06 -0.00 -0.00 -0.01 0.00 -0.00 0.03 0.09 0.08 -0.04 -0.01 0.01 0.02 0.09 0.05 0.06 0.08 -0.20 0.14 0.04 -0.06 0.01 -0.09 -0.03 0.02 -0.10 0.02 -0.06 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.03 0.04 0.03 -0.03 0.03 0.02 -0.01 0.04 0.09 0.05 -0.02 -0.09 0.09 0.04 0.13 0.08 -0.20 -0.15 -0.18 -0.20 -0.03 -0.04 0.11 0.01 0.02 -0.03 -0.02 -0.03 -0.03 0.03 0.00 0.03 -0.00 -0.01 0.05 0.20 0.10 -0.08 0.00 0.03 0.03 -0.01 0.01 0.02 0.16 0.16 0.06 0.11 -0.30 0.17 0.09 -0.16 0.03 -0.17 -0.09 0.06 -0.22 0.10 -0.18 -0.01 -0.00 -0.05 0.02 -0.00 -0.04 0.01 0.03 0.03 0.02 -0.13 -0.09 -0.03 0.07 0.02 -0.08 -0.10 -0.09 0.05 0.03 0.07 0.01 -0.04 0.03 -0.08 0.03 0.01 0.03 0.06 -0.00 0.01 -0.05 0.01 0.00 -0.04 0.01 0.01 0.04 -0.00 -0.01 -0.11 -0.07 -0.03 0.01 0.03 0.01 -0.03 -0.03 0.02 0.11 0.02 0.04 -0.04 -0.06 -0.03 0.04 0.16 0.05 0.06 0.01 -0.03 0.05 0.15 -0.05 -0.03 0.00 -0.03 0.08 0.01 0.02 -0.04 -0.02 -0.03 -0.03 -0.01 0.02 -0.01 -0.01 -0.01 0.03 -0.09 0.08 0.06 -0.01 0.02 -0.05 0.01 0.02 -0.05 0.01 -0.01 -0.04 0.01 0.06 0.02 -0.05 -0.03 0.06 0.04 0.03 -0.02 -0.04 -0.01 -0.02 -0.04 0.02 -0.03 -0.03 0.17 0.09 -0.15 0.01 -0.18 -0.13 0.03 0.08 0.17 -0.01 0.07 0.19 0.10 0.07 0.00 0.07 0.12 0.17 -0.04 0.04 0.22 -0.08 -0.08 -0.00 -0.04 0.14 0.03 0.04 -0.12 -0.04 -0.07 -0.08 -0.02 0.07 -0.05 -0.03 -0.03 -0.04 -0.39 0.15 -0.02 -0.24 0.11 0.18 0.29 -0.01 0.01 -0.02 -0.03 0.08 0.02 0.06 -0.05 0.02 0.01 0.02 0.03 -0.03 -0.03 -0.01 -0.04 -0.02 0.05 0.01 -0.01 -0.01 0.01 -0.03 -0.07 0.03 0.05 -0.10 0.00 0.01 -0.01 0.03 -0.02 -0.03 -0.03 -0.01 0.02 0.01 0.01 0.05 0.02 0.12 0.03 -0.01 0.01 0.06 -0.01 0.00 -0.07 0.06 0.07 0.02 0.03 -0.01 -0.05 -0.03 -0.06 0.03 -0.02 0.01 0.03 0.02 -0.05 -0.02 -0.04 -0.04 -0.02 0.00 -0.05 -0.02 0.02 -0.00 0.05 -0.03 -0.01 0.00 -0.02 -0.07 -0.10 0.00 0.15 -0.08 0.07 0.05 -0.19 0.11 -0.04 -0.02 -0.06 -0.03 -0.01 -0.23 -0.26 0.29 0.27 0.24 0.29 -0.02 0.02 -0.30 -0.02 -0.11 0.16 -0.02 0.14 0.14 -0.10 -0.02 -0.07 -0.01 0.01 -0.14 0.11 0.09 0.01 0.02 -0.06 -0.07 0.03 -0.01 -0.04 -0.05 -0.09 0.03 -0.03 0.04 0.05 0.03 -0.13 -0.06 -0.08 -0.10 -0.03 0.02 -0.07 -0.05 0.02 0.03 0.19 -0.06 0.02 0.10 -0.04 -0.06 -0.13 -0.01 0.02 -0.02 -0.00 0.02 -0.03 0.03 -0.02 -0.00 0.07 0.05 0.04 -0.04 -0.03 -0.04 -0.04 0.01 0.06 0.02 0.03 -0.01 -0.02 -0.05 0.01 -0.08 -0.10 0.05 0.00 -0.01 -0.05 -0.00 -0.02 -0.01 -0.01 0.00 0.01 -0.01 0.04 0.00 0.02 0.03 -0.04 -0.02 0.02 0.05 0.00 -0.01 -0.04 0.05 0.01 -0.03 0.04 -0.01 -0.04 -0.03 -0.03 0.03 -0.02 0.05 0.04 0.04 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.02 -0.02 0.02 0.01 0.04 -0.02 -0.00 0.00 0.02 -0.03 0.05 -0.06 -0.21 0.02 -0.17 -0.09 0.13 0.04 -0.02 -0.06 -0.01 -0.01 -0.05 0.18 0.43 -0.23 -0.25 -0.22 -0.24 0.12 0.01 0.43 -0.03 -0.07 0.12 -0.05 0.12 0.11 -0.03 -0.03 -0.05 -0.00 -0.03 -0.07 0.09 0.01 -0.04 0.02 -0.03 -0.05 0.04 -0.00 -0.04 -0.05 -0.06 0.04 -0.02 0.09 0.06 0.06 -0.03 0.02 -0.02 -0.02 0.02 0.03 -0.04 -0.07 0.03 0.05 0.16 -0.06 0.04 0.10 -0.04 -0.06 -0.12 0.02 0.16 -0.01 -0.00 0.01 -0.01 0.16 0.04 0.09 0.02 0.01 0.01 -0.03 -0.01 -0.03 -0.02 -0.01 0.03 0.00 -0.01 -0.00 0.03 -0.02 -0.01 0.05 -0.04 -0.01 -0.00 -0.01 -0.02 0.05 0.07 0.03 -0.01 -0.00 -0.00 0.09 0.02 0.08 0.01 0.02 -0.01 -0.05 0.05 -0.08 -0.10 0.04 0.00 0.02 0.01 -0.01 -0.17 -0.05 0.05 -0.02 -0.03 0.01 -0.01 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.03 -0.01 -0.11 -0.14 -0.11 0.02 -0.11 -0.01 0.03 -0.03 -0.01 0.04 -0.04 -0.01 0.02 -0.03 -0.00 0.03 -0.03 -0.02 -0.01 -0.03 -0.03 0.05 0.15 0.07 0.10 -0.04 0.07 0.15 0.01 0.19 -0.09 0.13 -0.15 -0.05 -0.05 -0.13 -0.11 0.10 0.04 -0.07 0.11 -0.01 0.03 0.01 -0.01 -0.13 -0.07 0.03 -0.16 -0.03 0.08 -0.02 -0.04 0.01 -0.01 0.01 0.03 0.02 -0.02 -0.00 -0.01 -0.01 -0.00 0.00 -0.04 -0.03 -0.14 -0.26 -0.45 0.11 -0.21 -0.25 0.06 0.03 0.31 -0.02 -0.02 0.14 0.00 -0.02 -0.10 -0.01 0.09 0.03 0.03 0.04 0.02 -0.02 -0.01 -0.02 -0.08 -0.03 0.09 0.01 -0.02 -0.01 -0.05 0.02 0.02 -0.01 0.08 -0.03 0.01 0.00 -0.06 -0.04 0.04 0.09 -0.04 -0.01 0.01 -0.05 0.02 -0.01 0.02 -0.03 -0.14 0.02 -0.01 -0.11 0.09 -0.04 0.06 0.09 -0.05 -0.11 0.03 0.01 -0.00 -0.07 -0.11 0.05 -0.05 0.01 0.06 0.09 0.02 0.03 0.04 0.03 0.04 -0.01 -0.09 -0.03 0.02 0.03 -0.01 -0.00 0.03 0.00 -0.10 0.03 -0.01 0.01 0.18 0.01 0.04 0.08 -0.13 -0.01 0.01 -0.05 -0.01 0.02 -0.03 -0.11 -0.14 0.08 0.05 0.11 0.08 -0.11 0.03 -0.17 -0.05 0.20 -0.30 0.11 -0.25 -0.25 0.29 -0.04 0.04 0.04 -0.13 0.21 0.14 -0.05 -0.15 -0.03 0.07 0.04 0.03 0.01 -0.09 -0.11 -0.16 0.05 -0.06 0.07 0.10 0.13 0.05 0.12 0.01 0.06 0.12 0.03 -0.13 -0.09 0.02 0.05 -0.02 -0.01 0.04 0.00 -0.01 0.01 0.01 -0.03 -0.09 0.15 0.01 0.04 0.10 0.06 -0.00 0.06 0.03 0.02 -0.04 -0.13 0.02 -0.14 0.06 0.01 0.00 -0.01 0.00 -0.01 -0.03 -0.02 -0.10 -0.06 -0.06 -0.08 -0.02 -0.07 -0.05 0.00 -0.01 0.05 -0.01 0.02 -0.06 -0.01 0.05 0.05 -0.00 0.05 0.13 0.05 -0.03 -0.10 0.08 -0.04 0.05 -0.05 0.06 0.11 0.03 0.01 -0.00 0.05 0.05 -0.00 0.03 -0.02 -0.00 -0.06 -0.03 -0.04 -0.02 -0.04 -0.05 -0.00 0.04 -0.00 0.02 0.03 -0.01 0.00 0.03 0.00 -0.06 0.01 -0.11 -0.10 -0.10 -0.12 -0.13 -0.06 -0.05 0.09 -0.13 0.00 -0.02 -0.19 -0.16 -0.07 0.24 0.04 0.01 -0.02 0.04 0.10 0.03 0.21 -0.01 0.17 -0.29 0.16 -0.27 -0.24 0.24 -0.03 0.03 0.05 -0.10 0.17 -0.09 0.06 0.13 -0.02 0.07 0.04 0.03 0.01 -0.08 0.07 0.08 0.01 0.04 -0.05 -0.01 -0.09 -0.08 -0.14 -0.01 -0.09 -0.14 -0.03 0.07 -0.00 0.02 0.05 0.00 -0.01 0.04 0.01 -0.00 0.02 -0.00 0.04 -0.02 0.03 -0.02 0.01 -0.01 0.25 -0.10 0.09 -0.03 -0.04 0.02 0.06 -0.04 0.07 0.01 0.02 -0.03 0.01 0.04 0.00 -0.02 -0.03 -0.01 -0.20 0.11 0.02 0.01 -0.01 0.04 0.08 -0.06 -0.00 0.01 -0.01 0.03 -0.28 0.07 -0.16 -0.00 0.02 -0.02 0.07 -0.00 0.00 0.03 0.02 -0.01 0.01 0.01 -0.01 -0.03 -0.01 0.00 0.01 0.04 -0.02 0.01 0.03 -0.02 0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.04 0.01 -0.03 -0.04 -0.02 0.00 -0.03 -0.00 0.04 -0.05 0.02 -0.21 0.12 0.01 -0.19 0.11 -0.03 0.03 -0.02 0.04 -0.05 -0.01 0.07 -0.12 -0.09 -0.23 -0.41 0.12 -0.23 -0.37 0.08 -0.27 0.07 0.00 0.00 0.10 -0.00 0.00 0.01 0.03 -0.00 0.05 0.07 -0.00 0.04 0.01 -0.02 -0.05 -0.02 -0.00 -0.03 -0.02 -0.02 0.02 0.06 -0.01 0.01 0.03 -0.03 0.02 -0.02 0.02 -0.03 -0.01 0.02 0.01 0.05 0.03 -0.03 -0.06 -0.10 0.02 -0.05 -0.06 0.01 -0.01 0.07 0.11 -0.03 -0.01 0.03 -0.03 0.07 -0.06 0.02 0.01 0.14 0.18 -0.11 -0.01 0.06 -0.09 -0.04 -0.06 0.05 -0.01 -0.10 0.00 0.03 0.07 0.02 -0.04 0.06 0.05 -0.01 0.11 -0.06 0.05 0.04 0.01 0.02 0.03 -0.08 -0.08 0.02 -0.05 -0.01 -0.05 0.08 0.13 -0.05 0.08 0.01 0.04 -0.02 -0.08 -0.01 0.08 -0.04 -0.02 0.02 -0.04 -0.13 0.02 -0.04 -0.08 0.04 -0.07 0.02 -0.02 0.01 0.00 -0.03 -0.01 -0.13 -0.02 -0.05 -0.03 -0.01 0.02 -0.01 -0.01 0.07 0.09 0.05 -0.04 0.06 0.04 -0.02 0.06 0.04 -0.18 0.21 -0.17 0.20 0.25 -0.06 0.01 -0.06 -0.10 -0.15 0.02 -0.10 -0.15 0.03 -0.10 0.15 -0.15 0.18 0.11 0.10 0.17 -0.16 0.04 -0.01 0.08 0.19 -0.12 -0.16 -0.01 0.12 0.01 -0.05 -0.01 -0.06 -0.05 0.06 -0.07 -0.18 0.00 -0.04 -0.06 0.05 -0.10 0.03 -0.08 0.06 0.01 -0.09 -0.00 -0.15 -0.06 -0.06 -0.07 -0.08 0.07 -0.07 -0.08 0.04 0.06 0.06 -0.15 0.08 0.00 -0.04 0.02 0.06 0.09 -0.02 -0.02 0.15 0.20 -0.15 0.26 -0.10 0.09 -0.04 -0.01 -0.05 0.02 -0.03 0.01 0.00 -0.04 0.06 0.02 0.01 0.07 0.04 -0.03 0.07 -0.07 -0.06 0.01 0.10 -0.01 -0.03 0.00 -0.03 -0.02 -0.02 0.01 0.05 -0.19 0.08 -0.11 -0.03 -0.05 0.03 -0.07 0.04 0.06 0.05 0.03 -0.03 -0.03 -0.06 -0.04 -0.03 -0.02 -0.05 -0.08 -0.01 -0.01 -0.05 -0.02 -0.01 0.02 -0.06 0.02 0.08 0.02 0.00 -0.03 0.00 0.01 -0.01 0.02 0.07 0.05 0.01 0.08 0.04 0.00 0.06 0.05 -0.03 0.08 -0.04 -0.01 0.13 0.05 -0.10 -0.03 -0.02 0.01 -0.02 -0.03 -0.02 -0.09 -0.23 0.22 -0.23 -0.18 -0.11 -0.22 0.20 -0.05 0.01 -0.13 -0.26 0.16 -0.10 0.05 0.09 -0.03 0.07 0.01 0.08 0.09 -0.08 -0.05 -0.09 -0.07 -0.03 -0.01 -0.06 -0.09 -0.04 -0.05 -0.05 -0.04 -0.05 0.04 -0.07 0.07 0.09 0.08 0.09 -0.11 0.09 0.10 -0.07 -0.12 -0.07 -0.05 -0.01 -0.02 0.04 -0.04 0.02 0.09 -0.07 -0.00 -0.03 -0.04 0.02 -0.03 -0.00 -0.00 0.02 -0.00 0.05 -0.01 0.01 0.01 -0.02 -0.04 0.00 0.01 -0.00 -0.03 -0.02 0.21 -0.07 -0.01 -0.06 -0.02 -0.02 -0.02 0.01 0.02 0.00 0.01 0.01 -0.05 0.03 -0.06 0.01 -0.04 -0.02 -0.02 0.01 -0.02 -0.03 0.02 0.02 0.01 -0.01 0.00 0.02 0.02 0.01 0.01 0.04 -0.01 0.02 -0.01 0.05 0.02 -0.01 -0.01 0.02 -0.02 0.03 0.01 0.00 -0.01 0.01 0.00 -0.02 -0.04 0.00 0.03 0.05 0.00 0.02 -0.00 -0.08 -0.33 0.39 -0.37 0.29 0.55 0.06 -0.02 0.01 0.04 0.06 0.01 0.04 0.04 -0.00 0.01 -0.05 0.06 -0.08 -0.06 -0.05 -0.08 0.04 -0.02 0.00 -0.05 -0.08 0.04 -0.07 -0.03 0.05 0.00 0.03 0.00 0.03 0.03 -0.02 0.01 0.03 0.02 0.01 0.01 0.05 -0.03 0.07 -0.03 0.08 0.05 -0.02 -0.03 0.02 -0.06 0.03 0.03 0.04 -0.04 0.04 0.04 -0.02 -0.04 -0.04 0.00 0.03 -0.02 -0.00 -0.00 -0.00 0.05 0.01 0.03 0.00 0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.10 -0.03 -0.03 -0.11 -0.04 0.00 -0.00 -0.00 0.02 -0.10 0.02 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.15 0.10 0.02 0.09 0.17 -0.00 0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 0.02 0.01 -0.00 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 -0.10 -0.07 -0.07 -0.08 -0.14 -0.06 -0.13 -0.09 -0.02 -0.02 -0.09 -0.15 0.00 -0.00 -0.00 0.34 -0.12 -0.03 -0.07 -0.33 0.25 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.14 0.10 0.18 0.33 -0.05 0.14 0.19 0.47 -0.17 0.00 -0.04 0.01 -0.00 -0.01 -0.03 0.03 -0.05 0.07 -0.04 0.03 0.06 0.01 0.12 0.04 -0.01 -0.01 -0.01 -0.01 -0.07 0.00 0.12 0.14 -0.14 -0.03 -0.04 -0.02 0.01 0.04 0.08 0.08 0.09 -0.12 -0.01 0.09 0.05 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.05 -0.10 -0.04 -0.12 -0.03 0.05 0.01 -0.02 -0.03 0.01 0.07 -0.01 -0.01 -0.07 -0.02 -0.03 -0.05 -0.01 0.01 0.01 0.01 0.00 0.01 0.01 -0.00 -0.07 0.01 0.10 0.02 -0.01 -0.03 -0.01 0.01 0.20 0.04 -0.12 -0.15 -0.30 -0.18 -0.08 -0.05 0.30 0.01 0.03 0.15 -0.03 -0.01 0.05 -0.00 0.08 -0.03 -0.03 -0.07 -0.03 0.02 -0.02 0.09 -0.02 0.06 -0.18 -0.05 -0.29 -0.15 -0.25 -0.03 0.05 -0.09 0.04 -0.08 0.02 -0.02 -0.04 -0.07 0.13 0.04 0.07 0.20 -0.04 -0.03 -0.10 -0.03 -0.03 -0.08 -0.04 0.02 0.02 0.04 -0.00 0.01 0.03 -0.00 -0.07 0.04 0.11 0.06 0.10 -0.15 0.13 0.12 -0.08 -0.17 -0.08 0.05 0.01 -0.08 0.00 0.00 -0.00 0.07 -0.00 0.00 0.02 0.01 -0.01 -0.13 0.02 -0.08 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.04 -0.03 0.14 0.06 0.10 0.14 -0.02 -0.07 -0.05 0.00 -0.03 0.04 -0.04 -0.00 -0.05 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.03 -0.13 -0.02 -0.14 -0.04 0.04 0.01 0.00 -0.00 0.01 0.06 -0.00 0.02 0.02 0.01 0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.09 0.02 -0.02 -0.02 0.00 0.01 -0.00 0.01 0.18 0.16 0.30 0.26 0.14 0.10 -0.12 0.08 -0.13 0.05 -0.06 -0.19 -0.14 0.14 -0.14 -0.05 -0.07 0.06 -0.05 -0.09 0.03 -0.12 0.03 -0.01 -0.11 -0.12 -0.25 -0.09 -0.34 -0.05 0.06 -0.08 0.08 -0.13 0.01 -0.01 -0.02 -0.04 0.13 0.05 0.05 0.18 -0.01 0.03 0.04 0.01 0.02 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.03 -0.01 0.09 0.06 0.11 -0.12 0.12 0.15 -0.06 -0.14 -0.10 -0.05 -0.04 -0.02 0.01 -0.02 -0.07 0.06 -0.06 -0.03 -0.03 0.29 0.09 -0.20 0.05 0.04 0.09 -0.00 -0.03 -0.01 -0.12 0.03 -0.09 -0.05 0.06 0.01 -0.02 -0.00 -0.04 0.03 0.09 -0.04 -0.09 0.01 -0.10 0.11 0.12 0.03 0.00 0.01 -0.00 0.04 -0.00 0.01 0.07 0.01 0.07 0.02 -0.02 0.04 -0.04 -0.06 0.00 -0.03 0.00 0.08 -0.00 -0.19 0.04 -0.15 -0.15 0.06 0.00 0.01 0.03 0.02 0.02 0.02 -0.03 0.09 -0.04 -0.01 0.01 0.01 -0.00 -0.00 -0.11 -0.06 0.04 0.07 0.08 0.07 0.03 -0.01 -0.11 -0.02 0.02 0.08 -0.05 0.01 0.08 -0.01 0.02 0.04 0.05 0.02 0.04 0.07 -0.01 0.02 0.03 -0.02 0.10 0.03 0.19 0.07 0.22 0.02 -0.03 0.03 -0.06 0.10 0.09 -0.05 -0.10 0.03 -0.07 -0.03 -0.02 -0.09 0.01 0.07 0.03 -0.32 0.04 -0.25 -0.33 0.07 0.04 0.07 0.02 0.04 0.08 -0.03 0.03 0.25 -0.04 -0.03 -0.06 0.06 -0.06 -0.08 0.03 0.07 0.06 -0.12 -0.06 0.03 -0.00 -0.00 0.00 0.03 -0.13 -0.01 -0.01 -0.07 0.01 -0.06 0.13 -0.08 -0.02 0.00 -0.00 -0.01 -0.01 -0.01 0.11 0.11 0.02 0.07 0.10 0.18 0.01 -0.03 -0.02 0.03 -0.04 -0.12 -0.02 0.05 -0.06 0.03 -0.01 -0.00 0.00 0.00 0.00 -0.07 0.15 -0.02 0.07 0.02 -0.03 -0.01 -0.00 -0.00 0.01 -0.04 -0.01 -0.00 -0.03 0.06 -0.02 0.00 0.06 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.03 -0.03 -0.05 -0.01 0.02 0.01 -0.00 -0.01 0.25 0.08 0.10 0.06 0.06 0.15 0.11 0.09 0.21 0.09 -0.09 0.16 -0.05 -0.20 -0.15 0.22 -0.15 -0.09 -0.10 -0.01 -0.09 -0.10 0.01 -0.07 -0.08 0.06 0.05 0.02 0.22 0.02 0.38 0.03 -0.06 -0.03 -0.20 0.20 -0.01 -0.02 -0.01 0.05 -0.10 -0.05 -0.02 -0.12 0.02 -0.00 -0.05 0.13 -0.01 0.00 0.11 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.04 -0.07 -0.05 -0.02 -0.06 0.07 -0.07 -0.10 0.03 0.09 0.06 0.01 -0.03 -0.07 -0.06 -0.11 -0.10 0.09 -0.01 -0.01 0.06 -0.02 -0.06 -0.03 0.11 0.00 -0.03 0.00 -0.12 0.00 0.00 -0.00 -0.12 0.05 0.02 -0.01 -0.04 -0.08 0.13 0.09 0.17 -0.09 -0.08 0.07 0.01 -0.00 -0.09 0.02 -0.01 0.01 0.05 0.12 0.13 0.03 -0.03 0.00 0.01 0.00 -0.01 -0.05 -0.06 -0.10 -0.00 0.00 0.01 0.02 -0.01 0.13 0.01 0.00 0.09 -0.05 0.01 0.01 -0.03 0.05 0.06 -0.02 -0.01 -0.08 0.01 0.00 0.02 -0.00 0.00 -0.00 -0.27 0.15 -0.04 0.01 -0.09 -0.07 -0.01 -0.05 -0.00 0.30 -0.00 0.27 0.04 -0.10 0.06 -0.12 0.10 0.08 0.13 -0.03 0.08 0.10 -0.02 0.09 0.08 -0.08 0.06 -0.01 0.05 0.05 -0.01 0.00 -0.01 0.03 0.03 -0.01 -0.10 -0.11 -0.13 -0.03 -0.01 0.00 0.00 0.01 -0.02 0.05 -0.02 0.33 0.03 0.01 0.24 -0.02 0.08 0.12 0.00 0.18 0.19 -0.03 -0.01 -0.16 0.01 0.00 -0.03 -0.01 0.00 -0.07 -0.00 -0.00 0.05 0.00 -0.00 -0.01 0.02 0.09 0.09 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.11 -0.12 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.04 0.17 0.19 -0.03 -0.15 -0.16 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.03 0.01 0.01 0.01 -0.02 0.01 0.01 0.02 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.07 -0.30 -0.33 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 0.02 0.05 0.26 0.28 -0.10 -0.46 -0.50 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.03 -0.02 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.04 -0.00 0.01 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.04 0.01 0.01 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.02 0.04 0.05 0.02 0.06 0.01 -0.01 0.04 0.06 -0.02 -0.02 -0.03 -0.00 0.00 -0.01 -0.01 0.00 -0.03 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.01 0.00 0.01 0.01 0.00 0.03 -0.04 -0.05 -0.16 -0.00 -0.04 0.02 0.03 -0.03 0.01 -0.00 0.02 0.01 -0.00 0.00 -0.02 0.07 -0.00 -0.01 0.04 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.06 0.11 -0.02 0.04 0.01 -0.01 0.05 0.04 0.06 -0.01 0.04 0.12 -0.04 -0.05 -0.05 0.29 0.10 0.01 -0.04 -0.08 0.21 -0.03 0.01 -0.10 -0.01 0.02 -0.02 -0.01 0.03 0.04 -0.00 0.04 0.03 0.02 -0.00 0.06 -0.05 -0.06 0.28 0.03 -0.03 0.68 0.01 -0.05 -0.41 -0.01 -0.01 -0.01 -0.03 -0.05 -0.03 0.02 -0.00 0.01 0.01 -0.08 -0.04 -0.00 0.02 -0.05 0.03 -0.02 0.23 -0.02 0.04 -0.09 -0.01 0.03 -0.00 0.01 0.01 0.01 0.10 0.02 -0.00 -0.01 0.00 -0.00 0.07 -0.04 -0.01 0.01 -0.00 0.00 0.05 0.07 0.09 -0.01 -0.03 -0.01 0.01 -0.02 -0.03 -0.04 -0.03 -0.05 0.00 -0.00 0.00 -0.09 -0.00 -0.17 -0.04 0.06 -0.04 -0.04 0.02 0.01 -0.03 0.01 0.02 0.03 -0.00 0.17 0.02 0.02 0.08 0.00 0.02 -0.01 -0.01 0.06 0.01 0.01 -0.01 0.01 0.01 0.01 0.03 0.18 -0.02 0.01 0.09 -0.04 -0.06 0.02 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.05 0.02 -0.02 0.00 0.01 -0.01 -0.02 -0.03 0.01 -0.02 -0.05 -0.10 -0.09 -0.09 -0.14 -0.05 -0.00 0.02 0.04 -0.10 -0.18 -0.01 -0.57 -0.07 0.08 -0.16 -0.03 0.06 0.08 -0.00 0.08 0.06 0.10 -0.04 0.31 0.02 0.03 -0.14 -0.01 0.01 -0.32 -0.00 0.02 0.19 -0.00 0.04 0.09 -0.03 -0.07 -0.06 -0.11 -0.01 0.02 0.02 0.05 -0.00 -0.05 -0.12 0.01 0.00 -0.01 -0.04 0.02 0.01 0.07 0.11 -0.14 -0.01 -0.01 0.00 0.04 0.07 0.01 0.00 0.13 0.11 -0.12 -0.07 -0.05 -0.00 -0.02 0.02 -0.01 0.05 0.13 0.15 -0.04 0.00 0.00 -0.01 -0.03 -0.02 -0.03 -0.05 -0.08 0.00 -0.01 -0.00 0.04 0.03 0.04 0.03 -0.01 -0.05 -0.03 0.02 0.02 -0.02 0.01 0.01 -0.01 0.04 -0.07 0.01 0.02 0.05 0.00 0.02 -0.01 0.33 -0.33 0.07 -0.02 0.20 0.09 0.01 0.02 -0.21 0.15 -0.00 -0.19 0.12 0.09 0.05 0.08 -0.05 -0.06 -0.13 0.08 -0.06 -0.02 0.02 -0.09 -0.13 0.08 -0.08 0.01 -0.10 -0.06 -0.05 -0.02 -0.01 -0.02 -0.04 -0.07 -0.09 -0.15 -0.17 -0.10 -0.03 -0.00 0.02 0.02 -0.09 0.08 0.07 0.13 0.03 -0.02 -0.07 -0.00 0.11 0.13 0.01 0.12 0.12 -0.04 0.05 -0.16 0.01 0.03 -0.08 -0.00 0.01 -0.21 0.00 0.03 0.12 -0.00 -0.01 -0.02 -0.00 -0.00 0.00 0.03 0.00 -0.00 -0.01 -0.03 -0.01 0.01 0.03 -0.02 0.02 -0.00 0.14 0.06 0.02 0.29 -0.02 0.05 0.00 0.01 0.01 0.00 0.02 -0.01 -0.00 -0.03 -0.02 0.03 0.05 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.02 -0.01 0.05 -0.07 0.02 -0.26 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.01 -0.17 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.08 0.10 -0.02 0.01 -0.06 -0.02 -0.00 0.00 0.08 0.03 -0.02 0.03 0.00 -0.06 -0.04 -0.01 0.00 0.01 0.03 -0.03 0.01 -0.01 -0.00 0.02 0.03 -0.02 0.02 -0.00 0.03 0.02 0.02 0.00 -0.00 0.00 0.01 0.02 -0.02 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 0.02 -0.06 -0.03 -0.08 -0.13 0.01 -0.62 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.08 -0.02 -0.56 -0.00 -0.01 0.01 -0.00 -0.00 0.03 -0.00 -0.01 -0.02 0.02 0.04 -0.02 -0.07 -0.03 0.05 0.01 0.02 -0.04 -0.12 0.03 0.19 0.11 -0.04 -0.04 0.01 0.05 -0.04 -0.01 -0.07 0.00 0.03 0.01 -0.02 0.01 0.03 0.01 0.28 -0.08 -0.25 -0.05 -0.09 0.12 -0.08 0.17 0.06 -0.01 0.01 0.00 0.13 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.06 0.06 -0.04 0.00 -0.00 -0.00 0.06 -0.02 -0.01 -0.00 -0.05 0.01 -0.12 0.02 0.01 -0.11 -0.00 0.00 -0.00 -0.04 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.10 0.18 -0.05 -0.01 -0.11 -0.05 -0.06 0.03 0.14 0.29 -0.07 -0.34 0.42 0.03 -0.23 0.02 -0.05 -0.00 -0.00 -0.05 -0.01 -0.11 0.02 0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.00 -0.04 -0.00 0.01 0.01 0.01 -0.03 -0.22 0.00 -0.03 -0.02 0.01 0.01 0.00 0.00 -0.02 0.06 -0.06 0.12 0.02 -0.11 0.06 -0.08 -0.04 0.05 -0.05 0.06 -0.01 -0.04 -0.00 0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.01 0.02 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.03 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.02 0.02 -0.02 0.01 0.02 0.00 -0.10 -0.02 -0.06 -0.02 -0.03 0.04 0.02 0.01 0.02 -0.00 0.00 0.00 -0.02 0.07 0.07 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.03 -0.03 0.02 -0.08 -0.10 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 0.06 -0.04 -0.00 -0.10 -0.04 -0.05 0.03 0.12 -0.05 -0.04 -0.04 -0.14 -0.02 -0.04 0.01 -0.04 0.00 0.01 -0.05 -0.01 -0.08 0.02 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.06 -0.01 -0.00 -0.01 0.09 0.42 0.40 0.13 0.48 0.52 0.00 -0.01 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.03 0.00 0.01 0.03 0.01 0.01 -0.01 0.01 0.01 0.00 -0.04 -0.01 -0.03 -0.01 -0.01 0.02 0.03 -0.01 0.03 0.00 0.00 0.00 -0.01 0.04 0.04 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.03 -0.00 -0.12 -0.00 0.01 0.02 0.01 0.01 0.01 0.02 0.03 0.03 -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.03 -0.02 0.00 -0.05 -0.02 -0.03 0.02 0.07 -0.02 -0.02 -0.03 -0.06 -0.01 -0.02 0.01 -0.02 0.00 0.01 -0.03 -0.00 -0.05 0.01 0.01 0.00 -0.01 0.01 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.01 -0.01 0.03 -0.01 -0.13 -0.12 0.02 -0.01 -0.01 -0.00 0.00 0.03 0.17 0.01 0.77 -0.04 0.01 -0.17 -0.03 -0.12 -0.16 -0.01 -0.13 -0.14 0.10 -0.03 0.42 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.04 -0.00 -0.01 0.05 0.06 0.01 0.00 0.04 0.01 0.00 -0.02 -0.04 0.02 0.00 0.00 -0.01 0.02 0.00 0.01 0.01 -0.05 -0.01 0.02 -0.02 -0.03 -0.00 0.13 0.01 0.07 0.01 0.07 -0.07 0.01 -0.02 0.00 0.01 -0.01 -0.00 0.03 -0.10 -0.10 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.04 -0.02 -0.01 0.01 0.00 -0.02 0.00 -0.07 0.00 0.01 0.01 -0.04 -0.02 -0.02 -0.06 -0.06 -0.06 -0.01 0.00 -0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 0.04 -0.07 0.07 0.01 0.16 0.08 0.10 -0.04 -0.17 0.05 0.05 0.04 0.18 0.02 0.05 -0.02 0.07 -0.00 -0.02 0.09 0.01 0.15 -0.03 -0.02 0.03 -0.06 0.03 0.02 0.05 0.02 0.09 -0.02 -0.03 -0.02 -0.01 0.09 0.01 0.29 0.27 0.05 -0.02 -0.02 -0.01 0.01 0.08 0.10 0.02 0.43 -0.02 0.01 -0.10 0.05 0.23 0.32 0.01 0.24 0.26 0.06 -0.01 0.24 0.00 -0.01 0.01 -0.01 0.01 0.00 -0.01 -0.02 0.00 0.02 -0.08 -0.04 -0.00 -0.02 -0.01 0.02 0.05 0.07 -0.04 0.02 -0.01 0.00 -0.02 -0.01 -0.01 0.01 -0.05 0.00 -0.00 -0.01 -0.03 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.03 -0.07 -0.01 0.08 -0.02 0.09 -0.02 0.10 0.01 -0.01 0.00 0.01 0.03 0.04 -0.01 -0.03 -0.04 -0.07 0.02 -0.05 -0.00 -0.00 0.00 -0.04 0.05 0.00 -0.00 -0.00 0.03 -0.01 0.00 -0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.03 0.01 0.02 0.01 -0.00 -0.00 0.01 -0.00 0.03 0.01 0.07 0.04 0.05 -0.01 -0.05 0.00 -0.03 -0.11 0.00 0.01 -0.04 0.01 0.02 -0.00 -0.01 0.04 0.00 0.06 -0.01 -0.01 0.04 -0.21 0.12 0.03 0.19 0.08 0.39 -0.13 -0.17 -0.13 -0.10 0.44 -0.03 -0.10 -0.10 0.26 -0.14 -0.14 -0.05 0.04 0.40 -0.05 -0.02 -0.14 0.01 0.01 0.11 -0.01 -0.05 -0.06 0.00 -0.02 -0.03 -0.02 -0.00 -0.11 0.02 -0.05 0.01 -0.07 0.07 -0.05 -0.03 -0.10 0.01 -0.04 0.04 0.02 -0.01 -0.01 0.00 -0.00 -0.04 -0.02 -0.09 0.04 -0.06 -0.07 0.06 -0.05 -0.03 0.02 -0.10 0.01 0.00 -0.00 -0.04 -0.01 0.00 -0.01 -0.02 0.03 0.02 -0.01 -0.05 -0.00 -0.01 -0.05 0.32 -0.05 0.26 0.01 -0.01 0.01 0.02 0.00 0.00 0.03 0.01 0.03 0.07 -0.01 0.05 -0.00 0.01 -0.00 0.04 -0.04 0.00 -0.04 -0.02 0.03 -0.05 0.02 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.03 -0.01 -0.02 -0.01 -0.00 0.00 0.04 0.01 0.06 -0.00 0.18 0.10 0.11 -0.03 -0.14 0.01 -0.01 -0.05 0.06 -0.01 -0.07 0.04 0.03 -0.02 -0.06 0.10 -0.01 0.15 -0.03 -0.04 -0.00 0.13 -0.07 -0.02 -0.13 -0.05 -0.32 0.13 0.15 0.13 0.10 -0.38 -0.03 -0.03 -0.03 -0.22 0.13 0.13 0.04 -0.04 -0.34 -0.07 -0.06 0.02 -0.03 0.05 0.17 -0.00 -0.01 0.00 -0.00 0.02 0.01 0.02 -0.05 -0.06 -0.02 0.04 -0.00 0.06 -0.06 0.06 0.02 0.09 -0.02 0.12 0.11 0.06 -0.00 0.02 0.01 -0.07 -0.03 -0.13 -0.02 -0.01 -0.03 -0.10 0.08 -0.05 -0.00 0.01 -0.01 0.00 0.00 0.00 0.17 -0.08 -0.02 0.01 -0.02 -0.04 0.03 0.04 0.10 0.10 -0.18 0.19 0.10 -0.01 0.06 -0.07 0.04 -0.01 -0.00 -0.04 -0.04 -0.07 0.04 0.01 -0.11 -0.02 -0.04 -0.00 -0.01 -0.02 -0.03 0.03 -0.04 -0.02 -0.01 0.00 -0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 0.02 0.01 0.05 0.01 0.00 -0.00 0.07 -0.03 -0.06 -0.06 -0.06 -0.11 -0.12 0.00 -0.05 0.00 0.05 0.15 0.04 -0.02 0.03 -0.05 -0.01 -0.01 -0.07 -0.00 -0.02 -0.14 0.05 -0.01 -0.14 0.13 -0.09 0.02 -0.08 -0.06 0.19 -0.22 -0.17 -0.17 -0.15 0.31 0.05 0.20 0.20 0.22 -0.16 -0.17 -0.03 0.03 0.32 -0.03 -0.03 0.02 -0.02 0.01 0.00 0.02 0.04 0.07 -0.03 -0.05 -0.04 0.02 -0.02 -0.01 0.01 -0.03 -0.01 -0.05 0.05 -0.14 -0.02 -0.06 0.05 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.03 0.03 0.08 0.05 -0.01 0.01 0.03 0.02 -0.01 -0.02 0.00 0.02 -0.01 0.02 -0.05 -0.10 -0.01 -0.04 0.02 -0.03 0.01 -0.02 0.02 -0.01 0.09 -0.04 -0.03 -0.03 0.00 -0.02 0.02 0.02 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.00 0.02 -0.00 -0.01 -0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.08 0.07 0.09 -0.10 0.43 0.12 0.30 -0.12 -0.43 0.02 -0.03 0.12 -0.13 -0.08 -0.06 -0.05 0.21 -0.05 -0.19 0.31 -0.01 0.41 -0.08 -0.08 -0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.09 -0.07 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.01 -0.06 0.01 -0.03 -0.03 -0.05 -0.01 0.00 -0.04 0.03 0.03 0.03 -0.01 -0.02 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 0.01 0.02 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.03 0.01 -0.04 -0.01 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.04 0.04 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.02 -0.10 -0.09 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.03 0.03 0.05 0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.01 0.03 0.01 0.02 -0.00 -0.01 0.06 -0.04 -0.02 -0.08 -0.04 -0.05 0.02 -0.00 -0.01 -0.02 0.02 -0.00 0.02 -0.01 -0.01 0.01 -0.03 0.01 -0.00 0.02 0.01 -0.00 0.02 0.01 0.01 0.01 -0.01 0.11 0.51 0.58 -0.02 0.01 0.02 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 0.02 0.04 0.26 0.24 -0.04 -0.30 -0.34 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.04 0.01 -0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.02 -0.03 -0.00 -0.14 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.02 -0.02 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.05 0.14 0.05 0.86 0.01 -0.00 -0.01 0.00 0.02 0.00 0.07 0.01 0.44 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.07 0.12 0.05 0.00 -0.01 0.01 -0.00 -0.06 -0.04 0.00 -0.00 0.00 0.03 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.09 0.02 -0.01 -0.01 0.02 0.03 -0.01 0.00 -0.02 -0.02 -0.01 -0.08 -0.01 0.01 -0.01 0.04 -0.02 0.00 -0.00 0.00 0.00 0.11 -0.09 0.09 0.04 0.02 0.00 -0.00 -0.00 0.00 -0.03 0.08 -0.09 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.05 0.01 -0.03 0.01 -0.05 0.02 0.01 0.02 0.01 0.04 0.01 0.02 0.05 0.02 -0.01 0.01 -0.03 -0.02 -0.02 0.04 -0.02 0.01 0.05 -0.02 0.01 0.04 -0.02 0.01 0.03 0.20 -0.17 0.02 -0.40 -0.10 -0.06 -0.28 -0.14 0.14 0.26 0.14 -0.00 0.00 0.01 0.37 -0.13 -0.25 -0.10 -0.08 0.34 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.02 0.02 0.01 -0.01 -0.02 -0.01 -0.00 -0.02 -0.04 -0.14 -0.01 -0.06 0.03 -0.18 -0.02 -0.13 0.05 -0.01 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.10 0.02 0.00 0.06 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.03 -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.01 -0.02 0.03 0.02 0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.02 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.11 -0.03 -0.46 -0.06 -0.04 -0.39 -0.01 0.02 0.02 -0.00 -0.02 -0.00 0.14 -0.02 0.74 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.05 -0.04 0.01 -0.00 -0.05 0.05 -0.01 -0.02 0.02 -0.01 -0.01 0.00 0.04 0.04 0.01 0.00 0.02 0.00 -0.01 -0.01 0.00 -0.07 -0.05 0.14 0.01 -0.02 -0.07 -0.01 0.05 -0.07 0.07 0.05 -0.07 0.02 0.04 -0.00 -0.03 0.03 -0.06 0.00 0.01 -0.02 -0.04 0.07 0.04 -0.05 0.00 0.04 0.00 -0.00 -0.00 0.05 -0.01 -0.06 0.01 -0.01 0.00 -0.02 0.00 0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.02 -0.01 0.02 -0.02 -0.01 0.00 0.03 -0.05 0.21 0.29 -0.19 0.06 -0.18 0.01 -0.04 0.16 -0.06 0.16 -0.19 -0.15 -0.14 -0.34 0.07 0.14 0.32 -0.23 0.10 -0.20 0.05 0.17 0.09 0.23 -0.08 -0.00 -0.10 -0.06 -0.04 -0.07 -0.00 -0.10 -0.12 0.02 -0.02 0.00 0.02 0.01 -0.04 -0.07 0.05 -0.01 -0.06 -0.01 -0.04 -0.03 -0.03 -0.02 -0.08 0.00 -0.00 -0.02 0.07 0.05 -0.05 0.00 -0.01 0.04 -0.01 0.05 -0.01 0.08 -0.12 -0.09 0.02 0.11 0.02 0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.00 0.02 0.06 0.07 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.09 -0.10 0.00 0.05 0.05 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.02 -0.01 0.05 0.03 0.02 -0.02 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.03 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.02 0.00 -0.07 -0.34 -0.37 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.02 0.11 0.49 0.53 -0.08 -0.28 -0.29 -0.00 -0.00 -0.02 -0.00 0.01 -0.00 0.01 -0.02 -0.01 0.00 0.02 0.00 -0.05 0.07 0.06 -0.03 -0.04 0.04 -0.01 -0.04 -0.02 -0.01 -0.01 0.00 0.02 0.04 -0.01 0.01 0.02 0.00 -0.01 -0.00 0.00 -0.01 -0.08 0.05 0.00 -0.01 -0.02 -0.00 0.05 -0.01 0.03 -0.00 -0.04 0.02 0.04 -0.00 -0.00 0.02 -0.02 -0.00 -0.01 -0.01 0.02 -0.09 -0.08 0.07 -0.03 -0.08 0.03 -0.01 0.02 -0.10 0.00 0.14 0.01 -0.01 -0.01 -0.02 0.00 0.01 0.04 0.02 -0.04 -0.02 0.04 -0.02 0.00 -0.02 0.00 0.06 0.02 -0.05 0.04 0.04 -0.01 0.06 -0.07 0.10 0.14 -0.09 0.04 -0.14 0.02 -0.05 0.11 -0.03 0.16 -0.13 -0.10 -0.07 -0.11 -0.02 0.06 0.14 -0.13 0.03 -0.15 0.04 0.06 -0.27 -0.39 0.13 0.06 0.22 0.10 0.08 0.15 0.01 0.13 0.12 -0.05 -0.05 -0.07 -0.02 -0.11 0.06 0.17 -0.09 0.01 0.08 -0.00 -0.04 0.01 -0.02 -0.02 -0.03 0.07 0.04 0.03 0.01 0.04 -0.07 -0.01 -0.01 -0.02 0.02 -0.09 0.03 -0.18 0.28 0.21 -0.05 -0.22 -0.02 0.01 -0.02 -0.02 -0.18 -0.05 0.08 0.01 0.02 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 0.03 -0.03 -0.00 0.01 0.01 0.02 -0.03 0.02 -0.02 -0.00 0.02 -0.01 -0.02 0.00 0.01 -0.01 0.02 0.01 -0.09 0.09 -0.00 0.02 0.02 -0.02 0.01 0.02 0.15 -0.15 0.09 0.03 0.00 -0.04 -0.00 0.01 0.01 0.01 -0.00 0.02 0.29 0.14 -0.17 -0.22 0.20 -0.15 0.00 0.01 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.03 0.01 -0.06 -0.08 0.05 -0.03 0.06 -0.00 0.02 -0.04 -0.00 -0.03 0.10 0.01 0.02 0.08 -0.01 -0.04 -0.09 0.07 -0.02 0.07 -0.02 -0.04 0.09 0.11 -0.04 -0.02 -0.06 -0.03 -0.02 -0.04 -0.00 -0.04 -0.03 0.02 -0.24 -0.16 0.27 0.03 -0.02 -0.05 0.03 -0.00 -0.02 -0.01 0.01 -0.05 -0.02 -0.02 -0.15 0.43 -0.08 -0.09 -0.29 0.19 -0.08 0.02 0.00 0.05 -0.01 0.03 -0.01 0.06 -0.09 -0.06 0.02 0.07 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.03 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.15 -0.00 -0.05 -0.25 0.35 0.05 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.03 0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.15 -0.21 -0.03 0.12 0.14 -0.05 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.21 -0.27 0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 0.01 -0.03 0.00 -0.01 -0.07 0.01 -0.07 0.09 0.04 0.03 0.00 -0.02 0.00 0.01 -0.02 -0.00 -0.03 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 0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 0.33 0.08 -0.07 0.24 -0.23 0.14 -0.01 0.00 -0.02 -0.06 -0.03 0.04 0.04 -0.51 -0.10 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 0.01 0.00 0.01 0.01 -0.01 0.19 -0.18 -0.00 -0.02 -0.00 -0.01 -0.03 0.00 0.02 0.02 -0.03 -0.00 0.05 0.02 0.01 -0.06 -0.00 -0.03 -0.01 0.07 0.01 -0.02 -0.02 0.04 -0.12 0.03 0.02 0.01 -0.03 0.04 0.08 -0.03 -0.02 0.02 -0.04 -0.02 -0.04 0.10 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.03 -0.12 0.08 -0.01 -0.00 0.01 0.03 0.01 -0.01 -0.07 0.00 0.01 0.04 -0.01 0.01 0.01 -0.02 0.02 0.02 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 0.06 0.03 0.14 0.18 -0.05 0.08 -0.06 -0.01 -0.06 -0.29 0.07 -0.19 0.40 0.16 0.06 -0.21 0.06 0.08 0.17 -0.10 0.06 -0.09 0.03 0.10 -0.03 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.06 -0.05 0.19 0.00 -0.00 0.01 -0.02 -0.01 0.01 -0.01 -0.08 0.03 -0.07 0.02 0.06 -0.10 0.11 -0.15 -0.33 -0.21 0.27 -0.04 0.05 -0.01 -0.00 -0.02 0.01 -0.03 0.04 0.02 -0.01 -0.04 0.02 0.02 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.00 -0.02 0.05 0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.02 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.04 0.01 0.00 -0.16 -0.03 0.05 0.00 0.00 -0.00 -0.00 0.08 -0.01 0.05 -0.01 -0.01 -0.04 0.02 0.01 -0.00 -0.07 0.07 0.01 0.02 0.03 0.02 0.08 -0.02 0.02 0.01 0.06 -0.02 0.03 -0.03 -0.01 0.00 -0.03 -0.02 -0.03 -0.03 0.02 0.00 0.01 0.01 -0.04 -0.07 -0.02 -0.01 -0.02 -0.01 -0.00 0.03 -0.02 0.02 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 0.01 0.05 -0.03 0.10 0.62 -0.01 0.02 0.72 0.05 0.03 0.04 -0.00 -0.00 0.00 -0.00 -0.06 -0.04 0.01 0.03 -0.00 -0.02 -0.02 0.04 -0.01 -0.06 -0.01 0.01 0.03 -0.00 -0.03 0.16 0.05 0.02 -0.00 -0.01 -0.00 -0.05 -0.05 0.05 -0.03 -0.03 -0.04 -0.08 0.02 -0.05 -0.02 -0.04 0.01 0.01 0.01 0.00 0.06 0.01 -0.03 -0.04 -0.01 -0.00 0.00 -0.02 -0.07 -0.08 0.02 -0.04 0.01 0.01 0.07 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.03 0.00 0.04 0.02 -0.04 0.05 0.06 0.07 -0.07 0.16 0.02 0.04 -0.01 -0.01 0.30 -0.06 0.17 -0.04 -0.03 -0.14 0.07 0.03 -0.02 -0.30 0.28 0.05 0.07 0.11 0.09 0.26 -0.06 0.09 -0.04 0.08 -0.02 0.10 0.03 -0.01 -0.02 0.01 0.02 -0.05 -0.09 -0.02 -0.00 0.04 0.03 -0.11 -0.09 0.02 -0.08 -0.11 -0.03 -0.00 0.10 -0.01 0.06 0.01 -0.01 0.02 -0.03 0.01 -0.00 0.00 -0.01 0.04 -0.02 -0.00 0.02 -0.07 -0.03 -0.18 0.27 -0.24 -0.04 -0.23 -0.35 -0.02 0.02 0.01 0.00 -0.01 0.00 0.00 -0.02 -0.02 0.00 0.01 -0.00 -0.02 -0.00 0.02 -0.00 -0.04 -0.00 0.00 0.02 -0.00 0.06 0.07 0.05 0.05 -0.03 -0.02 -0.00 -0.03 -0.02 0.01 -0.02 0.01 -0.02 -0.04 0.01 -0.08 0.01 -0.04 0.01 0.01 0.01 -0.05 -0.09 -0.04 0.07 0.02 -0.04 0.00 0.01 -0.01 0.07 0.16 0.03 -0.03 0.01 0.01 0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 0.00 -0.06 -0.04 0.01 -0.07 -0.09 0.00 0.08 0.05 0.06 0.12 -0.05 0.02 0.20 -0.06 0.07 -0.04 -0.01 -0.07 0.04 0.01 -0.01 -0.32 0.23 0.06 0.07 0.06 0.07 0.09 -0.01 0.10 -0.21 -0.22 0.04 -0.08 0.01 0.02 0.06 0.04 -0.03 0.11 0.12 -0.03 0.00 0.02 0.00 0.14 0.23 0.06 0.11 0.25 0.10 -0.01 0.05 -0.00 0.04 0.00 -0.00 0.02 -0.03 0.02 0.00 0.01 -0.01 0.03 -0.01 -0.00 -0.03 0.07 0.02 0.25 -0.41 0.02 0.06 0.27 0.01 0.03 0.04 0.04 -0.03 0.07 -0.05 -0.01 -0.03 -0.02 -0.01 0.03 0.02 0.02 0.00 0.02 -0.01 -0.04 -0.01 0.01 0.03 -0.00 -0.06 0.01 -0.03 -0.04 0.03 0.00 0.06 0.12 -0.07 0.03 -0.01 -0.02 -0.03 -0.05 0.03 0.05 -0.03 0.02 -0.02 -0.04 -0.02 0.03 -0.01 -0.02 -0.06 -0.01 -0.02 -0.02 -0.09 0.10 0.03 -0.01 0.03 -0.06 0.01 0.01 0.07 -0.02 -0.01 0.00 -0.00 -0.00 0.06 -0.02 0.00 -0.01 0.02 0.00 0.01 -0.00 -0.01 -0.04 -0.01 0.00 -0.11 0.01 -0.06 -0.12 0.03 -0.05 -0.04 0.03 0.04 0.39 -0.08 0.19 -0.19 -0.19 -0.20 0.16 -0.07 -0.04 -0.04 0.01 -0.03 0.07 -0.03 -0.05 -0.02 -0.07 0.02 0.13 0.07 0.03 0.10 -0.01 -0.03 -0.10 -0.08 0.11 -0.11 -0.15 0.09 -0.12 -0.00 0.05 0.10 0.18 -0.02 -0.04 0.05 0.00 0.07 -0.02 -0.03 -0.21 0.27 -0.20 -0.10 -0.11 0.13 0.05 -0.03 -0.00 0.05 0.17 -0.04 0.13 -0.18 0.05 0.04 0.21 -0.07 -0.04 -0.07 -0.07 -0.02 0.04 -0.02 0.01 0.06 0.04 -0.01 0.02 0.01 -0.01 0.00 -0.00 -0.01 -0.04 -0.01 0.01 0.02 -0.00 0.11 -0.02 0.01 0.05 -0.04 -0.02 0.04 0.08 -0.03 -0.04 0.01 0.05 -0.02 -0.04 0.03 -0.06 0.03 -0.01 -0.01 -0.03 -0.02 -0.06 0.01 0.02 0.11 0.02 0.04 -0.01 -0.05 0.06 -0.04 0.02 -0.05 -0.05 0.01 0.01 0.06 -0.02 -0.01 -0.00 0.00 -0.00 0.04 -0.01 0.00 -0.01 0.02 0.00 -0.02 0.00 0.01 0.06 0.01 -0.01 0.13 -0.05 0.01 0.05 -0.04 -0.02 0.06 -0.04 -0.02 0.26 -0.05 0.13 -0.13 -0.13 -0.13 -0.10 0.07 0.01 -0.05 0.04 0.01 -0.05 0.03 0.01 0.03 0.09 -0.03 -0.23 -0.10 -0.04 -0.15 0.02 0.06 0.16 0.13 -0.18 -0.07 -0.09 0.05 0.21 0.03 -0.07 -0.15 -0.27 0.04 -0.03 0.05 0.00 0.06 -0.02 -0.02 -0.13 0.17 -0.12 -0.05 -0.06 0.07 0.05 -0.03 -0.00 -0.09 -0.26 0.07 -0.19 0.24 -0.07 -0.05 -0.30 0.13 -0.17 0.05 -0.05 -0.00 -0.00 0.00 0.01 0.03 0.02 -0.00 0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.12 -0.04 -0.00 0.10 -0.06 0.01 0.00 0.01 0.01 -0.07 0.01 0.03 -0.00 -0.01 0.00 -0.11 0.05 -0.03 -0.00 -0.00 -0.00 0.20 -0.06 0.01 -0.10 0.04 0.04 0.00 -0.00 0.00 0.01 -0.13 -0.02 -0.02 -0.00 0.00 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.06 0.02 -0.00 -0.03 0.03 -0.01 0.22 -0.07 0.05 0.20 -0.07 0.07 0.16 -0.06 0.00 0.02 0.00 0.03 -0.01 -0.01 -0.01 -0.26 0.15 0.05 -0.00 0.04 0.04 -0.08 0.05 0.07 0.28 -0.01 -0.01 0.08 0.01 0.05 0.11 -0.07 -0.03 -0.10 0.05 0.28 0.01 -0.01 -0.01 -0.26 -0.29 -0.08 0.09 0.08 -0.09 -0.02 0.00 0.01 0.03 -0.02 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.02 -0.01 -0.00 0.13 0.27 -0.19 0.08 -0.06 0.12 0.03 0.20 -0.14 0.00 0.00 0.00 -0.05 -0.03 0.04 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.02 -0.02 0.00 -0.00 0.02 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.02 0.00 0.01 0.02 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.10 -0.05 0.03 -0.00 0.00 0.00 0.06 -0.00 -0.01 -0.05 0.02 0.01 -0.08 0.04 -0.02 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.03 0.01 -0.02 -0.01 0.06 -0.01 0.06 0.00 -0.00 -0.06 0.04 0.04 0.05 -0.03 0.04 -0.00 -0.02 0.03 0.01 0.03 -0.01 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 0.66 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 -0.02 -0.06 0.04 -0.00 -0.40 0.44 -0.33 0.05 0.04 -0.04 -0.06 0.04 0.01 -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 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.01 -0.02 -0.04 -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.09 0.00 -0.00 0.02 0.00 -0.01 -0.01 0.02 -0.01 0.01 0.03 -0.01 0.02 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.02 0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.06 -0.03 0.02 0.07 0.09 0.02 -0.00 0.00 0.02 -0.06 -0.08 -0.01 -0.02 -0.00 0.00 0.06 0.10 0.04 -0.00 -0.02 -0.05 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.01 0.04 0.78 -0.00 -0.03 -0.39 -0.00 0.02 0.41 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.02 -0.00 -0.03 -0.04 -0.07 0.02 -0.02 0.04 0.01 -0.01 -0.04 0.00 -0.02 0.03 -0.02 0.09 0.01 0.02 0.01 0.08 -0.01 0.01 0.00 -0.01 -0.01 -0.05 0.02 -0.07 0.00 0.01 0.00 -0.02 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.01 0.02 -0.00 0.00 0.00 0.22 -0.00 -0.05 -0.17 0.08 0.04 0.04 -0.01 0.00 0.04 -0.02 0.01 0.02 -0.05 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.15 -0.06 -0.14 0.01 -0.09 -0.07 0.25 -0.03 0.25 0.27 -0.05 0.02 -0.20 -0.06 -0.00 -0.07 0.14 -0.02 -0.14 0.16 0.01 0.11 -0.02 -0.01 -0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.40 -0.06 0.09 -0.01 -0.00 0.00 0.00 0.01 0.01 0.27 0.06 -0.08 -0.23 0.22 -0.03 0.09 -0.07 0.06 -0.01 -0.05 0.05 -0.25 0.17 0.05 -0.00 -0.01 -0.08 0.00 0.00 0.04 0.00 -0.00 -0.05 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.02 0.00 0.01 -0.01 -0.00 0.04 0.03 0.03 -0.09 0.03 -0.01 0.00 -0.00 -0.01 0.00 -0.02 0.02 -0.01 -0.02 0.01 0.06 -0.04 -0.03 0.00 -0.00 -0.00 -0.11 -0.09 0.03 0.05 0.15 0.03 -0.00 0.00 0.00 -0.02 -0.11 -0.04 0.03 0.01 -0.01 -0.02 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.05 0.01 -0.06 -0.02 0.02 0.01 0.13 0.01 0.08 -0.10 0.06 -0.01 -0.12 0.04 -0.06 0.03 -0.02 -0.02 -0.01 -0.01 -0.01 -0.03 0.00 0.02 0.16 -0.08 0.02 0.08 -0.04 0.03 -0.18 -0.06 -0.01 -0.19 -0.17 -0.01 0.15 0.18 0.04 0.16 0.43 0.28 -0.02 -0.00 0.01 -0.15 -0.34 -0.15 0.03 -0.01 -0.06 0.09 0.12 -0.03 -0.05 0.09 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.04 0.01 0.01 0.11 0.23 0.24 0.05 -0.04 -0.08 0.02 0.14 0.08 0.06 -0.01 0.02 0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.02 0.00 -0.01 0.02 0.04 0.00 -0.03 0.02 0.01 -0.11 -0.05 -0.04 0.17 -0.06 0.01 -0.00 0.00 0.01 0.03 0.03 -0.05 0.02 0.04 -0.01 -0.10 0.06 0.08 -0.00 0.00 0.01 -0.09 -0.03 0.02 0.03 0.07 0.00 0.00 -0.00 -0.00 -0.01 -0.05 -0.01 -0.06 -0.02 0.01 0.04 -0.04 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 0.03 -0.00 0.03 0.00 -0.03 -0.01 0.01 0.00 -0.38 -0.00 -0.20 0.13 -0.13 -0.03 0.21 -0.07 0.15 -0.05 0.02 0.03 0.02 0.02 0.01 0.14 -0.04 -0.06 -0.36 0.17 -0.07 -0.14 0.07 -0.11 -0.14 -0.00 -0.01 -0.07 -0.12 -0.02 0.08 0.09 0.01 0.08 0.20 0.13 0.04 0.00 -0.01 -0.09 -0.17 -0.07 0.01 0.01 -0.02 -0.20 -0.28 0.06 0.09 -0.19 0.01 0.01 -0.02 0.02 -0.00 0.01 -0.01 0.08 -0.02 -0.02 0.06 0.11 0.11 0.02 -0.02 -0.02 0.01 0.07 0.03 -0.00 0.00 0.00 0.09 0.02 -0.03 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.02 0.05 0.02 -0.01 -0.07 -0.01 0.08 -0.04 -0.02 -0.02 -0.02 0.01 0.04 -0.04 -0.02 0.01 0.01 -0.03 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.02 0.03 0.04 -0.02 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.04 0.03 -0.00 -0.00 -0.00 -0.02 0.05 0.01 -0.02 0.04 0.01 -0.05 -0.01 0.02 -0.11 0.04 -0.01 -0.08 -0.06 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.10 0.00 -0.04 0.02 -0.03 -0.03 -0.01 -0.03 -0.05 -0.04 0.01 0.08 0.03 -0.05 -0.10 0.13 -0.09 -0.03 -0.16 0.03 -0.05 -0.12 0.05 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.21 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.33 0.69 -0.10 -0.08 0.28 -0.02 0.05 -0.15 0.13 -0.03 0.09 -0.08 0.04 -0.18 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 0.17 0.03 -0.06 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.04 0.01 -0.06 0.03 0.01 0.02 -0.01 0.01 -0.03 0.06 -0.00 0.02 0.05 -0.04 0.01 -0.01 0.02 -0.01 -0.05 0.01 0.01 -0.04 -0.02 -0.04 -0.02 0.01 0.01 -0.00 -0.02 -0.01 0.00 0.02 0.05 -0.08 0.07 0.01 -0.00 -0.02 0.05 -0.04 -0.02 -0.00 -0.02 0.00 -0.09 -0.02 0.04 -0.20 0.07 -0.02 0.06 0.05 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.04 -0.09 -0.01 -0.10 -0.02 -0.07 0.02 0.04 0.12 0.13 -0.02 0.08 -0.04 -0.09 -0.14 -0.07 0.10 -0.00 0.06 0.04 0.04 0.17 -0.07 0.03 0.02 -0.04 0.02 -0.03 0.05 0.01 -0.01 0.02 0.03 -0.00 0.01 -0.01 0.32 -0.06 -0.02 0.03 0.02 -0.01 -0.00 -0.03 -0.01 -0.20 -0.52 0.06 0.02 -0.15 -0.01 0.09 -0.27 0.24 -0.03 0.17 -0.16 -0.12 0.20 0.02 -0.01 -0.02 -0.02 -0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.04 -0.05 0.02 0.00 -0.01 0.01 0.02 0.02 -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 0.01 -0.01 -0.01 -0.02 0.00 0.00 0.01 0.01 -0.04 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.04 0.14 0.07 -0.03 -0.17 0.00 -0.01 0.01 -0.05 0.03 0.17 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.03 -0.01 -0.08 -0.02 0.00 0.01 0.08 0.01 0.03 0.02 0.02 0.03 -0.02 -0.01 -0.06 0.04 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.03 -0.03 -0.00 -0.05 0.02 0.01 0.00 0.41 -0.17 0.02 -0.41 -0.12 0.03 -0.34 -0.33 0.02 -0.14 -0.06 0.03 -0.01 -0.00 -0.27 -0.20 0.07 0.02 0.22 0.10 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.01 -0.03 0.03 0.00 0.02 -0.02 -0.03 0.03 0.01 0.05 0.11 0.16 0.03 -0.04 0.07 0.01 0.09 -0.04 -0.06 0.00 -0.02 -0.02 -0.00 0.01 0.00 -0.01 -0.00 0.03 -0.00 -0.04 -0.03 0.12 0.14 0.00 -0.01 0.01 0.01 0.01 -0.00 0.05 0.02 0.16 0.01 -0.04 -0.14 -0.00 -0.07 -0.11 0.04 0.01 0.00 -0.02 -0.05 -0.01 0.00 0.01 0.08 0.03 -0.00 0.02 0.03 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 -0.03 -0.01 0.00 0.01 0.04 -0.04 -0.01 0.01 0.02 -0.00 0.01 0.01 -0.01 0.02 -0.02 0.01 -0.03 0.03 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.07 -0.11 0.02 -0.26 -0.07 -0.33 -0.17 -0.01 -0.08 -0.14 -0.02 -0.02 0.10 -0.02 -0.11 0.31 -0.13 -0.09 -0.30 0.08 -0.10 -0.07 0.02 -0.19 0.03 0.01 -0.01 -0.08 0.01 -0.00 -0.03 -0.06 -0.03 0.02 0.01 -0.02 -0.05 0.04 0.01 -0.01 -0.02 -0.00 -0.00 0.02 0.03 -0.10 -0.29 0.03 -0.00 0.09 -0.00 -0.04 0.07 -0.07 -0.07 -0.07 0.07 -0.31 0.26 0.06 0.01 0.02 0.01 0.01 -0.02 0.00 0.00 0.02 -0.00 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.02 0.03 0.05 -0.00 -0.01 0.00 -0.12 0.01 0.02 0.02 -0.02 0.05 -0.00 0.03 -0.04 0.00 -0.01 -0.04 0.01 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.02 0.01 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.07 0.01 -0.09 -0.04 0.02 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.19 -0.00 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.12 -0.02 -0.12 -0.05 -0.14 -0.04 0.02 0.07 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.04 0.03 -0.03 -0.07 0.07 -0.01 0.09 -0.03 -0.04 0.02 0.02 -0.01 -0.03 -0.01 -0.00 -0.01 -0.03 -0.02 0.00 -0.01 -0.01 -0.03 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.11 0.27 -0.03 -0.06 -0.24 0.03 -0.02 0.02 -0.02 -0.03 -0.03 0.03 0.70 -0.42 -0.14 0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.01 -0.01 -0.02 -0.02 -0.02 -0.01 -0.00 0.00 -0.01 0.03 0.02 0.00 -0.02 -0.01 -0.01 0.04 0.01 0.03 0.04 -0.00 0.07 -0.02 -0.01 -0.01 -0.16 0.00 0.01 0.16 0.02 -0.01 -0.01 -0.01 0.04 0.01 0.02 0.03 0.06 -0.02 -0.02 -0.11 -0.03 0.02 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.02 0.00 0.02 -0.02 -0.00 0.00 0.02 -0.06 -0.00 0.01 0.03 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.08 -0.03 0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.13 -0.32 -0.13 -0.13 -0.16 -0.16 0.05 0.12 0.43 -0.12 0.03 0.08 0.03 -0.01 -0.03 -0.17 0.29 -0.04 0.03 0.20 0.10 0.47 -0.17 0.05 0.03 0.04 -0.02 -0.08 -0.04 -0.01 0.00 -0.05 -0.04 0.00 -0.02 -0.02 -0.03 0.02 -0.01 -0.03 -0.03 0.00 0.00 0.01 0.00 -0.01 0.10 0.00 0.03 0.02 -0.00 -0.02 0.05 -0.04 -0.06 -0.05 0.06 -0.07 -0.05 0.01 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.03 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.11 0.07 -0.05 0.13 -0.06 0.00 0.01 -0.01 0.14 -0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.13 -0.02 -0.00 0.07 0.02 0.00 0.03 -0.05 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.00 0.01 0.00 -0.01 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.03 0.04 -0.06 0.19 -0.24 -0.00 0.35 0.23 -0.04 -0.21 -0.25 0.14 -0.02 0.01 0.00 -0.09 0.16 0.14 0.13 -0.03 -0.33 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.02 0.04 -0.03 -0.06 -0.04 0.05 -0.01 0.01 0.00 -0.22 -0.31 -0.00 -0.15 0.23 -0.00 -0.04 -0.30 0.00 -0.01 0.00 -0.01 -0.12 0.05 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.04 0.00 0.01 -0.03 0.04 -0.01 0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.05 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.05 0.05 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.05 0.05 0.13 0.05 -0.07 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.03 0.00 0.02 -0.05 -0.03 -0.08 -0.04 0.02 0.03 0.07 -0.02 -0.06 0.10 0.02 -0.00 0.03 0.02 -0.02 -0.05 0.04 -0.00 0.04 -0.02 -0.03 0.00 0.01 -0.01 -0.00 -0.03 -0.00 0.04 0.01 -0.01 -0.02 -0.03 0.01 0.21 -0.03 -0.02 -0.01 0.01 0.01 0.02 0.00 -0.03 -0.00 0.01 0.00 0.00 -0.00 0.01 0.20 -0.35 0.29 0.58 0.31 -0.40 0.02 -0.02 -0.00 -0.02 -0.03 0.00 -0.02 0.02 0.00 -0.00 -0.03 -0.00 -0.06 0.01 -0.01 0.06 -0.03 0.02 -0.00 -0.02 -0.00 -0.03 -0.00 0.03 -0.01 -0.18 -0.18 0.01 0.08 -0.01 0.05 -0.02 -0.01 0.05 0.08 0.21 0.01 0.03 -0.13 0.01 0.03 0.11 0.06 0.03 -0.02 0.04 0.06 -0.01 0.00 -0.03 0.05 -0.06 0.04 -0.06 0.03 -0.02 0.00 -0.01 0.01 -0.01 -0.01 -0.02 0.02 0.02 -0.00 0.01 -0.04 0.01 0.01 0.02 -0.01 -0.00 0.03 -0.00 -0.00 -0.05 -0.00 0.01 -0.05 -0.03 0.01 -0.02 -0.00 -0.00 0.01 0.00 0.00 -0.13 0.37 0.19 -0.23 -0.09 -0.32 -0.16 0.05 0.06 0.22 -0.03 -0.19 -0.15 0.08 0.26 0.16 0.01 -0.07 -0.20 0.11 -0.04 0.08 -0.04 -0.14 0.02 -0.00 -0.01 -0.08 -0.02 -0.00 0.03 -0.02 -0.03 -0.02 -0.01 0.02 -0.09 -0.04 0.03 -0.03 0.00 0.02 0.03 0.02 -0.04 -0.02 0.06 0.00 0.06 -0.15 -0.00 -0.05 0.11 -0.09 -0.09 -0.03 0.04 0.05 -0.12 -0.01 -0.03 -0.04 0.00 -0.02 0.03 0.00 -0.01 -0.04 -0.00 0.04 0.01 0.01 0.04 -0.01 0.01 0.01 -0.00 -0.00 0.03 -0.03 -0.04 -0.08 0.03 0.13 0.07 0.07 -0.00 0.05 -0.03 -0.01 0.01 0.02 -0.02 0.00 -0.02 0.01 0.05 -0.05 -0.05 -0.08 -0.02 -0.01 0.03 0.05 -0.05 0.00 0.02 -0.01 -0.06 0.08 -0.09 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.06 0.05 -0.01 -0.00 -0.01 -0.07 0.00 0.01 -0.01 0.01 0.00 0.01 -0.03 0.02 -0.03 -0.00 0.01 -0.05 -0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.17 -0.29 -0.03 0.01 0.03 0.03 0.04 -0.03 -0.03 0.32 -0.13 -0.42 -0.20 0.20 0.36 -0.01 -0.03 0.01 0.03 -0.04 -0.01 -0.06 0.02 0.02 -0.04 0.01 0.00 0.17 0.00 0.00 -0.00 0.05 0.03 0.00 0.01 0.00 -0.28 -0.10 0.14 0.03 0.03 0.01 -0.02 -0.02 0.02 -0.10 -0.03 0.03 0.02 -0.11 0.01 -0.09 0.10 -0.07 0.15 0.10 -0.13 0.06 -0.13 -0.02 0.02 0.02 -0.01 0.01 -0.02 -0.00 0.00 0.02 0.00 -0.09 -0.02 -0.02 0.01 -0.01 0.00 -0.03 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.02 0.04 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.04 0.01 -0.05 -0.03 -0.03 0.07 0.02 -0.02 -0.01 0.22 0.01 0.09 -0.01 -0.00 -0.00 0.02 0.03 -0.03 -0.03 0.04 -0.03 0.03 -0.00 -0.04 0.01 0.02 0.00 0.00 -0.02 0.02 0.04 0.01 0.03 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.01 -0.02 0.02 0.01 0.00 -0.33 0.18 -0.19 -0.04 0.13 0.11 0.08 -0.04 -0.08 0.04 -0.02 -0.12 -0.05 0.07 0.13 -0.07 -0.05 0.06 0.13 -0.11 0.00 -0.10 0.04 0.08 0.17 -0.04 0.01 -0.60 0.04 -0.01 -0.04 -0.21 -0.12 0.01 0.02 -0.02 -0.10 -0.03 0.05 -0.12 -0.17 -0.05 0.08 0.11 -0.04 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.04 0.05 -0.04 0.07 0.04 -0.06 0.01 -0.01 -0.00 -0.06 -0.08 0.03 -0.04 0.07 0.01 -0.01 -0.07 -0.01 -0.00 0.00 0.01 -0.06 0.06 -0.05 0.00 -0.01 -0.01 0.02 -0.02 -0.03 -0.05 -0.10 0.05 0.05 0.21 0.00 0.11 -0.02 -0.02 0.01 0.09 0.01 -0.02 -0.04 0.01 -0.12 0.06 -0.02 0.00 -0.01 0.01 -0.00 -0.03 -0.01 0.02 0.04 -0.01 0.25 -0.18 0.11 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.13 0.03 -0.05 0.02 -0.00 0.00 -0.04 0.02 0.01 -0.04 -0.03 0.01 -0.16 0.05 -0.01 0.02 0.00 -0.01 -0.09 -0.05 0.02 -0.02 -0.01 -0.00 0.01 0.01 0.00 0.03 -0.12 -0.06 -0.11 0.10 -0.01 0.17 -0.07 -0.01 0.02 -0.03 0.15 -0.31 -0.07 -0.02 -0.00 -0.08 0.04 0.06 -0.10 -0.03 -0.14 0.06 0.02 0.03 -0.02 0.01 -0.08 0.03 0.00 -0.03 -0.07 -0.03 0.03 0.06 0.02 -0.03 0.00 0.00 -0.04 -0.06 -0.02 0.05 0.08 0.01 -0.04 0.04 0.01 0.07 -0.51 0.01 0.00 -0.18 0.16 -0.07 -0.04 0.06 0.12 -0.25 -0.02 -0.03 -0.02 0.01 -0.02 0.04 0.00 -0.00 -0.03 0.00 0.05 0.00 0.05 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.02 0.00 0.00 0.00 -0.09 -0.01 -0.04 0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.04 -0.06 -0.00 -0.04 0.03 -0.01 0.00 0.00 0.09 -0.01 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.11 -0.03 -0.02 0.05 0.03 -0.00 0.16 -0.09 0.07 0.06 -0.05 -0.01 -0.03 0.02 0.02 0.02 -0.00 -0.00 0.03 -0.01 -0.02 0.03 0.02 -0.02 -0.05 0.04 0.00 0.04 -0.02 -0.03 0.14 -0.08 0.06 -0.15 0.14 0.00 -0.19 -0.33 -0.10 0.15 0.34 0.13 0.04 0.01 -0.02 -0.20 -0.27 -0.09 0.27 0.46 0.08 -0.00 -0.01 -0.00 -0.00 0.04 -0.00 0.01 -0.01 0.00 -0.02 -0.01 0.02 -0.00 0.01 0.00 -0.12 -0.07 0.04 -0.12 0.19 0.00 -0.02 -0.16 0.00 -0.00 -0.00 -0.00 0.01 -0.03 0.03 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.04 0.02 0.08 0.00 0.04 -0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.02 0.01 0.04 0.02 -0.02 0.01 -0.00 0.01 -0.01 -0.03 -0.00 0.01 0.02 -0.01 -0.11 -0.02 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.16 0.04 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.01 0.00 0.09 0.01 -0.03 0.05 0.02 -0.03 -0.03 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.06 -0.04 -0.04 0.04 0.01 0.07 -0.03 -0.01 0.22 -0.05 -0.07 0.16 -0.04 -0.15 -0.01 -0.03 0.02 0.04 -0.05 -0.01 -0.05 0.02 0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.59 0.14 -0.25 0.01 0.01 0.00 -0.01 -0.02 -0.00 -0.01 0.02 0.00 0.02 -0.20 0.00 0.23 -0.15 0.10 -0.35 -0.21 0.26 0.05 -0.09 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.03 -0.03 0.01 0.10 -0.11 -0.03 -0.06 -0.03 0.01 0.00 0.01 0.02 0.00 0.00 0.00 -0.02 0.02 -0.01 0.00 0.00 0.00 0.03 0.10 -0.03 -0.00 -0.00 -0.00 0.06 -0.08 0.04 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 -0.04 -0.01 0.01 0.00 0.06 -0.00 -0.04 0.03 -0.02 0.03 0.02 -0.02 0.02 0.03 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.05 -0.04 -0.02 0.00 -0.01 -0.04 0.01 -0.01 0.25 -0.09 -0.18 -0.33 0.11 0.30 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.01 0.07 -0.01 0.01 -0.06 -0.00 0.00 0.01 -0.01 -0.01 -0.03 -0.06 -0.03 0.21 0.03 -0.07 -0.01 -0.03 -0.01 -0.03 -0.06 -0.03 -0.15 -0.19 0.04 -0.11 0.57 -0.01 0.11 -0.16 0.13 -0.22 -0.12 0.15 0.06 -0.00 -0.02 0.00 -0.02 0.00 0.01 -0.02 0.01 0.00 0.01 -0.01 0.03 0.02 0.05 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.04 0.02 -0.03 0.01 0.02 -0.03 -0.00 -0.00 0.00 -0.03 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.03 0.00 -0.00 0.00 -0.01 -0.04 -0.04 0.01 0.06 0.02 0.00 0.00 -0.00 -0.00 0.06 0.04 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.01 -0.02 -0.03 -0.00 0.00 0.31 -0.05 0.18 0.22 -0.10 0.06 -0.08 0.03 0.01 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.08 0.03 -0.04 -0.09 0.06 0.00 0.06 -0.03 -0.07 0.39 -0.09 0.07 -0.35 0.02 0.01 0.02 -0.08 -0.06 -0.15 -0.35 -0.19 -0.00 0.00 0.00 -0.07 -0.28 -0.15 -0.14 -0.28 -0.14 0.02 0.03 -0.00 0.01 -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.14 0.02 0.05 -0.07 0.04 0.00 0.07 -0.02 -0.03 -0.02 -0.04 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.07 0.03 -0.07 0.01 0.03 -0.04 -0.00 -0.01 -0.01 0.08 -0.01 0.07 -0.01 -0.01 0.00 -0.03 -0.05 0.05 0.02 -0.02 0.01 0.02 0.02 0.02 -0.01 -0.02 -0.02 -0.00 -0.00 0.00 -0.01 -0.04 -0.02 -0.00 -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 -0.00 -0.01 -0.00 0.02 0.02 -0.00 -0.00 0.35 0.07 0.23 0.47 -0.17 0.19 -0.29 0.09 -0.08 0.09 -0.04 -0.09 -0.11 0.06 0.13 0.11 0.07 -0.07 -0.15 0.13 0.02 0.15 -0.07 -0.11 -0.18 0.06 -0.04 -0.02 -0.02 -0.01 0.02 0.03 0.00 0.07 0.17 0.10 0.04 0.00 -0.01 0.07 0.25 0.13 0.05 0.11 0.05 0.02 0.04 -0.00 0.01 -0.10 0.00 0.03 -0.04 0.04 -0.06 -0.03 0.04 -0.04 0.03 0.01 0.03 0.14 -0.02 -0.02 0.03 -0.02 -0.00 -0.05 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.03 0.00 0.10 0.05 -0.02 0.00 -0.04 0.00 -0.02 0.02 -0.01 -0.01 0.00 -0.02 -0.00 0.01 0.01 0.02 -0.01 0.02 -0.04 -0.05 0.01 0.00 0.01 0.01 -0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.04 -0.00 -0.03 -0.01 0.01 0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.08 0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.17 -0.02 0.10 0.06 -0.02 0.02 0.09 -0.02 0.05 -0.14 0.06 0.15 0.23 -0.13 -0.29 0.04 -0.02 -0.01 -0.02 -0.01 -0.01 -0.01 0.01 -0.03 -0.01 0.01 -0.01 -0.06 -0.00 -0.00 0.01 -0.01 -0.02 0.01 0.04 0.02 -0.08 -0.00 0.02 0.02 0.08 0.05 -0.00 -0.01 -0.00 -0.20 -0.33 0.05 -0.14 0.49 -0.00 -0.05 0.08 -0.06 0.10 0.06 -0.07 0.34 -0.35 -0.07 0.01 0.05 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.02 0.01 0.04 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 -0.02 0.01 0.02 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.02 -0.06 -0.00 0.00 0.00 -0.02 -0.05 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 0.01 -0.00 -0.00 -0.02 0.02 0.02 0.04 -0.04 0.00 0.03 -0.08 0.00 -0.10 0.02 -0.05 0.13 -0.03 0.06 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.02 -0.03 -0.01 -0.04 0.02 0.01 0.37 0.04 0.03 -0.37 -0.02 -0.01 0.05 -0.14 -0.16 0.03 0.16 0.14 0.00 0.00 -0.00 0.12 0.46 0.27 -0.07 -0.17 -0.10 0.02 0.04 -0.01 0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 0.04 0.01 0.10 0.42 -0.06 0.03 -0.04 -0.01 -0.01 -0.18 0.02 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.04 0.03 0.01 -0.03 -0.00 0.27 -0.08 -0.08 0.06 0.03 -0.01 0.04 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.01 -0.02 0.01 -0.02 -0.05 -0.04 -0.00 -0.01 -0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.15 -0.11 0.03 -0.23 0.11 0.04 0.02 -0.01 0.01 -0.01 -0.01 0.01 0.07 0.05 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.16 0.16 -0.07 0.07 -0.00 0.05 -0.20 0.04 -0.11 -0.09 0.04 0.10 0.19 -0.11 -0.24 -0.03 0.04 -0.01 -0.01 0.04 0.01 0.04 -0.02 0.01 0.09 -0.00 0.01 -0.03 -0.00 -0.00 0.00 -0.02 -0.02 -0.00 0.00 0.01 -0.05 0.00 0.01 0.01 0.03 0.02 -0.01 -0.03 -0.02 -0.01 0.15 0.01 -0.10 -0.56 0.05 -0.04 0.06 -0.05 0.09 0.05 -0.06 -0.22 0.30 0.04 0.01 0.05 -0.01 0.01 -0.01 0.00 -0.00 -0.02 0.00 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.02 -0.02 0.02 -0.04 -0.01 -0.01 0.01 0.00 -0.08 0.00 -0.00 -0.03 0.00 -0.05 0.01 0.00 0.00 0.04 -0.01 0.05 0.02 0.04 -0.01 0.02 0.05 0.01 -0.01 0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.03 0.01 -0.01 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.42 -0.27 0.24 -0.18 0.01 -0.14 0.57 -0.12 0.32 -0.06 0.03 0.08 -0.01 0.00 0.01 0.08 -0.11 0.01 0.03 -0.13 -0.04 -0.12 0.07 -0.03 -0.13 0.01 -0.02 0.01 -0.00 -0.00 0.00 0.04 0.03 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.03 -0.02 0.03 0.06 0.03 0.04 0.10 -0.01 0.01 -0.08 0.00 -0.00 0.01 -0.01 0.02 0.01 -0.01 -0.12 0.14 0.02 -0.02 -0.10 0.01 -0.01 0.02 -0.00 0.00 0.06 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.03 -0.00 0.03 -0.00 -0.00 0.00 -0.03 0.04 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.08 0.01 -0.01 0.08 -0.05 0.00 0.02 -0.00 0.02 -0.01 -0.00 -0.01 0.03 -0.01 0.02 -0.01 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.02 0.01 0.09 -0.02 0.01 0.03 0.21 0.14 -0.08 -0.29 -0.22 0.00 0.00 -0.00 -0.05 -0.26 -0.19 0.01 0.15 0.17 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.10 0.68 -0.03 0.01 0.00 0.00 -0.02 -0.36 0.02 0.00 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.02 0.03 -0.02 -0.03 0.00 0.00 -0.00 -0.04 -0.05 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.03 0.01 -0.02 0.03 -0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.43 0.07 0.02 -0.22 -0.09 -0.01 0.19 0.41 0.18 -0.01 -0.14 -0.15 -0.00 -0.00 0.00 0.06 0.14 0.05 0.15 0.47 0.32 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.17 0.02 -0.09 0.11 -0.03 0.03 0.20 0.00 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.02 0.02 0.03 0.09 -0.03 0.02 -0.02 -0.00 0.06 0.05 -0.01 0.01 -0.11 -0.02 -0.01 0.02 -0.02 0.04 -0.04 -0.02 -0.02 0.01 -0.03 -0.05 -0.09 0.01 -0.00 0.02 -0.00 0.01 0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.00 0.00 0.00 0.05 0.00 -0.01 -0.08 -0.05 0.02 -0.03 0.01 -0.01 0.02 0.01 -0.02 -0.06 0.05 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.54 0.25 -0.11 -0.04 -0.10 0.28 -0.04 0.13 -0.07 0.01 -0.03 -0.34 0.16 0.41 0.04 -0.04 -0.01 0.05 -0.06 0.00 0.01 0.02 -0.01 0.09 0.01 0.01 0.07 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.03 0.01 0.03 -0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.14 0.01 -0.08 -0.10 0.02 0.05 -0.09 0.07 -0.11 -0.07 0.08 0.17 -0.13 -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 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 0.02 0.00 -0.03 -0.02 0.01 0.09 -0.04 0.02 -0.14 0.03 -0.07 -0.02 0.00 0.01 -0.01 0.01 -0.02 -0.00 0.01 0.01 -0.00 0.02 0.04 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 0.00 0.03 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.29 0.16 -0.16 0.56 -0.14 0.33 0.42 -0.09 0.21 0.09 -0.03 -0.09 0.07 -0.02 -0.07 0.17 -0.11 -0.03 -0.01 -0.16 -0.02 0.12 -0.00 -0.15 0.08 0.01 0.00 0.06 0.01 0.00 0.00 0.02 0.01 0.02 0.03 0.02 -0.02 -0.00 0.00 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.06 -0.00 0.02 0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.05 0.04 0.01 -0.00 -0.00 -0.00 0.01 -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 0.01 -0.00 -0.01 0.03 0.06 0.01 0.01 0.03 0.00 -0.03 -0.02 0.01 -0.03 -0.06 -0.02 0.03 0.01 0.01 -0.11 0.00 0.07 0.00 0.00 -0.01 -0.03 -0.03 0.02 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.05 0.01 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.00 0.02 0.01 -0.00 -0.03 0.02 -0.01 0.00 -0.01 0.01 0.03 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.10 0.27 0.20 -0.22 0.01 -0.15 0.05 0.00 0.02 0.50 -0.21 -0.49 0.36 -0.01 -0.26 -0.02 0.00 0.00 0.03 0.00 0.01 -0.02 0.01 0.03 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.09 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.07 -0.01 0.01 0.08 -0.01 0.00 -0.02 0.02 -0.02 -0.02 0.03 -0.05 0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.00 0.01 0.01 -0.00 0.02 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.04 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.05 -0.00 -0.02 0.04 0.13 0.06 0.01 -0.00 0.00 -0.04 -0.08 -0.03 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.02 0.01 0.00 0.01 -0.00 -0.04 -0.02 -0.04 0.05 -0.01 0.03 0.04 -0.01 0.02 0.04 -0.01 -0.05 0.02 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.00 -0.01 -0.45 -0.15 0.01 -0.16 -0.03 -0.02 -0.15 -0.41 -0.20 -0.18 -0.43 -0.20 -0.01 -0.00 0.00 0.07 0.24 0.13 0.09 0.25 0.16 -0.00 -0.02 -0.00 -0.01 -0.03 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.02 -0.02 -0.00 0.02 0.04 0.00 -0.08 0.10 -0.03 0.03 0.11 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 -0.01 0.02 0.06 0.17 -0.01 -0.12 -0.12 0.02 0.00 -0.03 -0.03 0.03 0.00 0.01 0.07 -0.01 -0.05 -0.01 0.00 -0.02 -0.04 -0.10 0.02 -0.01 -0.00 -0.01 -0.00 0.03 -0.00 -0.01 -0.01 -0.01 0.02 0.03 0.01 -0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.11 -0.01 0.02 0.10 0.09 -0.02 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.10 -0.10 -0.02 0.00 -0.01 0.00 0.00 0.00 -0.00 0.08 0.43 0.20 -0.14 -0.01 -0.10 -0.04 0.02 -0.06 -0.33 0.13 0.30 -0.24 0.00 0.18 -0.01 0.01 -0.01 0.03 0.02 0.02 0.00 -0.00 0.03 -0.01 -0.02 0.00 0.06 0.02 0.01 -0.06 -0.13 -0.06 -0.03 -0.08 -0.03 0.03 -0.01 0.01 0.02 0.06 0.03 0.02 0.05 0.03 0.03 0.26 -0.01 0.08 0.26 -0.03 0.02 -0.03 0.03 -0.05 -0.03 0.03 -0.22 0.16 0.04 0.01 0.01 -0.00 -0.02 0.03 -0.00 0.01 0.03 0.00 -0.02 0.01 -0.01 0.00 0.03 -0.03 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.01 0.00 0.00 -0.04 0.02 -0.02 0.03 -0.00 0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.08 -0.10 0.06 -0.07 -0.04 -0.02 0.03 0.03 0.02 -0.12 0.06 -0.03 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.14 -0.09 0.05 -0.11 -0.01 0.03 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.03 0.18 0.09 -0.04 -0.01 -0.04 0.02 0.00 0.00 0.17 -0.08 -0.03 -0.11 0.07 0.10 0.02 -0.02 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.02 0.27 0.05 -0.02 0.37 0.12 0.06 -0.09 -0.21 -0.10 0.01 -0.03 -0.04 0.20 0.11 -0.14 0.01 0.06 0.04 0.02 0.05 0.04 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.16 0.31 -0.25 0.30 0.24 -0.28 0.01 -0.01 -0.00 0.01 0.01 0.00 -0.03 0.03 -0.00 0.01 0.04 -0.00 -0.04 0.02 -0.02 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.06 -0.01 0.03 0.01 0.01 -0.00 0.02 -0.01 0.00 -0.04 0.04 -0.03 -0.11 -0.06 -0.02 0.05 0.05 0.03 0.05 -0.03 0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.06 0.04 -0.02 0.05 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.13 -0.04 0.02 0.02 0.02 -0.03 0.00 0.00 -0.05 0.02 0.01 0.09 -0.04 -0.08 -0.05 0.04 0.03 -0.05 0.03 -0.03 -0.07 0.01 -0.01 0.47 0.09 -0.05 0.60 0.21 0.10 -0.14 -0.31 -0.14 0.03 -0.01 -0.05 -0.09 -0.05 0.06 0.01 0.09 0.06 0.02 0.06 0.05 0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.06 -0.13 0.11 -0.12 -0.10 0.12 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.04 0.04 -0.00 0.02 0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 0.03 -0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.13 0.06 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.00 -0.09 0.03 -0.05 -0.10 0.01 -0.06 -0.02 0.01 0.02 0.02 -0.01 -0.02 0.38 -0.33 -0.22 0.42 -0.33 0.22 0.56 -0.04 0.02 0.03 0.01 -0.00 0.04 0.02 0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.02 0.01 -0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.05 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 -0.02 -0.10 0.01 0.02 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.08 0.05 0.03 -0.01 -0.01 0.11 -0.00 -0.00 0.00 0.25 -0.07 -0.08 -0.03 -0.06 -0.29 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.09 0.26 -0.03 -0.45 0.45 -0.03 0.20 0.52 -0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.04 -0.05 -0.09 -0.10 0.11 -0.03 -0.07 0.00 0.02 0.00 -0.00 0.01 -0.04 -0.04 0.01 0.02 0.01 -0.00 0.02 -0.05 -0.00 0.01 -0.01 0.04 0.15 0.00 0.00 -0.00 -0.00 -0.04 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.04 -0.00 0.01 0.03 -0.00 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.07 0.62 0.25 -0.05 -0.10 -0.07 0.08 0.01 -0.06 0.05 -0.07 0.49 0.32 0.15 -0.12 0.02 0.01 -0.02 0.01 0.06 0.02 -0.04 0.00 0.04 -0.02 -0.02 0.01 -0.02 -0.02 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.05 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.11 0.02 0.05 -0.15 -0.00 0.03 -0.03 0.02 0.01 -0.02 0.02 0.01 -0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.06 -0.01 0.05 0.00 0.00 -0.00 0.03 0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 0.03 -0.03 0.01 0.03 0.02 0.57 -0.17 -0.12 0.09 0.26 -0.52 -0.00 0.00 0.00 -0.29 0.07 0.06 -0.07 -0.20 0.25 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 0.02 0.07 0.01 -0.13 0.13 -0.01 0.06 0.15 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 0.03 -0.03 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -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 0.02 0.06 0.03 -0.03 0.46 0.11 -0.26 0.01 0.39 0.03 -0.03 0.08 0.04 0.06 0.03 -0.26 0.07 0.17 -0.15 -0.42 -0.23 0.21 -0.01 -0.37 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.01 0.03 -0.00 0.00 0.00 -0.06 -0.03 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 0.02 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 -0.01 0.02 -0.02 0.02 0.02 0.01 0.33 -0.11 -0.07 0.05 0.14 -0.33 -0.00 -0.00 -0.00 0.55 -0.13 -0.11 0.10 0.32 -0.50 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.02 0.10 -0.10 0.02 -0.05 -0.12 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.04 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.02 -0.03 0.20 0.06 -0.04 -0.03 0.15 0.04 -0.03 0.06 0.04 0.06 0.03 0.27 0.52 -0.33 0.38 0.04 0.29 -0.36 0.03 -0.33 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.02 0.01 -0.04 0.01 0.04 -0.00 -0.00 0.02 0.00 0.00 0.02 0.01 -0.01 0.00 0.00 -0.05 -0.02 -0.04 0.00 -0.00 0.00 -0.00 -0.05 -0.02 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 0.00 -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 -0.03 -0.16 -0.08 0.03 -0.05 0.01 0.01 0.00 -0.05 0.30 -0.25 0.51 0.33 0.54 0.27 -0.01 -0.08 0.03 -0.03 0.03 -0.01 0.03 -0.00 0.08 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.06 0.08 -0.01 -0.06 0.16 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.03 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.04 0.02 0.09 0.44 0.16 -0.17 -0.03 0.45 0.00 -0.00 0.00 0.00 0.01 0.00 0.14 -0.28 -0.05 0.01 0.40 0.11 -0.08 -0.00 0.50 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 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 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.08 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.15 0.50 -0.49 -0.20 0.55 0.36 -0.02 0.05 0.03 -0.01 -0.03 0.03 0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -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 -0.01 0.02 0.02 0.05 0.05 -0.07 -0.01 -0.09 -0.01 -0.01 -0.13 0.00 -0.01 0.01 0.02 -0.01 0.00 0.01 -0.03 -0.02 -0.00 0.00 -0.00 0.01 -0.04 -0.08 0.03 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.20 -0.00 0.03 0.26 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.03 -0.10 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.22 -0.09 0.00 -0.07 -0.01 0.03 -0.00 -0.06 0.14 -0.11 0.14 0.10 0.24 0.17 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.02 0.02 0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.29 -0.35 0.07 0.23 -0.57 -0.03 -0.01 0.00 0.00 -0.02 -0.00 0.01 0.01 -0.17 -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 -0.04 0.04 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.07 -0.01 0.03 0.00 -0.00 0.00 -0.00 0.03 0.01 -0.00 0.00 -0.00 0.18 0.08 -0.11 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.03 0.04 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.25 0.23 0.06 0.27 -0.26 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.04 0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.06 -0.02 0.07 0.22 0.01 -0.15 -0.01 -0.02 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.10 -0.05 0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.34 0.10 -0.03 -0.64 -0.07 0.19 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.02 0.00 0.00 -0.01 -0.06 0.03 0.02 -0.05 -0.20 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 0.02 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 0.06 -0.31 -0.02 0.06 0.20 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.11 0.33 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.03 0.00 0.02 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -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 0.40 0.17 -0.09 0.20 -0.27 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.58 -0.18 -0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.02 -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 -0.12 -0.02 0.04 0.00 -0.00 0.00 -0.03 0.03 0.04 0.00 0.00 0.00 0.38 0.19 -0.25 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.27 -0.18 0.22 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.16 -0.15 -0.05 -0.11 0.11 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.12 -0.02 0.06 0.21 0.03 -0.14 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.49 -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 0.01 0.29 -0.16 0.09 0.19 -0.01 -0.03 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.20 -0.19 -0.30 0.08 0.03 -0.14 0.06 0.00 -0.03 0.02 0.04 -0.00 -0.01 0.04 0.04 0.00 -0.00 0.01 0.04 -0.01 -0.02 -0.01 -0.05 -0.02 -0.40 0.23 0.55 -0.00 0.00 -0.00 -0.05 -0.02 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.02 -0.02 -0.00 -0.01 0.00 -0.03 0.01 0.01 -0.02 -0.06 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.06 -0.00 0.01 -0.05 0.00 -0.01 -0.31 -0.10 -0.05 -0.06 -0.04 -0.01 0.01 -0.11 0.02 -0.02 0.06 -0.11 0.16 0.23 -0.00 -0.02 0.01 0.01 -0.00 0.00 0.02 0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.04 0.02 -0.00 -0.01 -0.02 -0.00 0.01 0.02 0.00 -0.03 0.04 0.00 -0.06 0.08 0.01 -0.02 0.01 -0.01 -0.01 0.00 0.00 -0.05 0.05 0.02 -0.04 -0.04 0.00 -0.06 0.01 0.00 0.05 0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 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 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.03 -0.01 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.42 -0.03 0.07 -0.36 0.03 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 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 0.01 0.00 -0.00 0.00 -0.05 -0.10 -0.02 0.08 0.18 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 -0.29 -0.31 0.02 -0.43 0.07 0.00 0.36 0.35 -0.03 0.01 -0.04 -0.03 -0.00 -0.00 0.00 0.08 -0.42 -0.27 0.02 -0.01 -0.02 0.01 -0.01 -0.02 0.01 0.01 -0.00 0.00 0.00 0.00 0.03 -0.05 -0.02 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.15 0.66 0.41 -0.03 0.01 0.05 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.04 0.03 0.01 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.06 -0.00 0.04 -0.04 -0.01 -0.01 -0.00 0.03 0.00 -0.01 0.00 0.02 -0.00 0.00 0.00 -0.04 0.03 0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.13 -0.02 0.11 0.20 -0.09 -0.07 -0.01 -0.00 0.01 0.05 0.08 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.03 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.10 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.11 -0.46 0.82 -0.28 0.12 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.05 -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 -0.01 0.01 0.00 -0.01 0.01 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.29 -0.13 -0.45 -0.36 -0.18 0.56 0.08 0.46 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 0.00 0.04 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 -0.01 -0.00 -0.02 -0.01 -0.01 0.02 0.00 0.02 0.00 -0.01 0.04 0.05 0.00 -0.00 -0.00 -0.07 0.28 -0.53 0.72 -0.31 0.04 0.00 -0.00 0.00 -0.01 0.04 -0.08 -0.04 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 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 0.03 -0.02 0.03 -0.03 0.04 0.00 -0.00 0.00 -0.05 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.12 -0.15 0.02 -0.22 0.41 -0.04 0.24 -0.46 -0.31 0.13 -0.01 -0.00 0.00 -0.00 0.01 -0.06 0.10 0.54 -0.21 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 -0.07 0.02 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.02 -0.05 -0.02 0.02 0.04 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -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 -0.39 -0.22 0.57 0.27 0.14 -0.41 -0.08 -0.40 -0.02 -0.02 -0.04 -0.00 -0.05 0.08 -0.08 0.06 0.03 0.09 -0.05 -0.02 0.06 0.00 0.02 -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 -0.01 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 0.03 0.02 -0.04 0.01 -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 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.33 -0.18 0.48 -0.19 -0.11 0.29 0.11 0.64 0.03 -0.02 -0.04 -0.00 -0.06 0.09 -0.09 -0.07 -0.03 -0.11 0.03 0.02 -0.04 -0.01 -0.08 0.00 0.01 -0.04 -0.05 0.00 -0.06 0.10 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.10 0.04 -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 0.02 -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 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.05 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.07 0.04 -0.10 0.03 0.02 -0.04 -0.02 -0.11 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.00 0.02 -0.01 -0.00 0.01 0.00 0.02 -0.00 0.05 -0.22 -0.27 0.02 -0.33 0.60 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.08 -0.15 -0.54 0.22 -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 0.08 -0.02 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.05 0.02 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.10 -0.06 0.15 0.02 0.01 -0.03 0.01 0.06 0.00 0.15 0.33 0.04 0.38 -0.58 0.58 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.02 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.02 0.00 -0.02 0.03 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 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 -0.04 0.04 -0.04 -0.00 0.00 -0.00 -0.04 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 0.03 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.14 -0.18 0.01 -0.16 0.29 0.05 -0.27 0.51 0.46 -0.19 0.01 0.00 -0.00 0.00 0.02 -0.09 0.17 0.40 -0.16 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 -0.10 0.03 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.03 -0.08 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.03 -0.09 0.12 0.06 -0.19 0.06 0.34 0.03 -0.01 -0.01 -0.00 -0.01 0.02 -0.02 0.30 0.13 0.43 -0.34 -0.16 0.51 -0.05 -0.34 -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 0.01 0.00 -0.01 0.02 0.02 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.06 -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 -0.07 -0.04 0.10 -0.25 -0.13 0.39 -0.03 -0.17 -0.02 0.00 0.01 0.00 0.00 -0.00 0.00 0.32 0.13 0.49 -0.06 -0.04 0.08 0.08 0.59 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.02 -0.00 -0.00 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 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.04 0.12 -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 0.77 -0.22 0.01 -0.32 -0.31 0.02 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.03 -0.05 0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.05 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 0.07 0.04 -0.10 0.30 0.14 -0.46 0.08 0.48 0.04 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.06 0.02 0.10 0.16 0.07 -0.24 0.08 0.55 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.02 0.00 -0.03 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 -0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -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 -0.53 0.15 -0.01 -0.35 -0.34 0.02 0.64 -0.20 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 0.01 -0.03 -0.09 -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 -0.11 0.57 0.67 0.01 -0.22 0.38 0.01 -0.04 0.08 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -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 0.00 -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 -0.01 0.00 0.00 0.00 0.40 0.84 0.11 -0.15 0.22 -0.23 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.09 -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 0.01 -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 0.12 -0.03 0.00 0.53 0.53 -0.04 0.61 -0.21 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.04 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.02 0.03 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.18 -0.49 0.41 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.60 0.23 -0.32 -0.14 0.13 -0.09 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.05 -0.07 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.19 0.11 0.04 0.05 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.60 0.75 -0.11 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.05 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.02 0.02 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.21 0.54 -0.45 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.50 0.19 -0.27 -0.20 0.18 -0.13 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.09 -0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.11 -0.06 -0.02 0.95 0.22 -0.18 -0.02 -0.01 0.01 -0.03 0.03 -0.02 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.01 0.02 -0.05 0.06 -0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 0.06 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.05 0.01 -0.01 0.28 0.11 -0.15 0.61 -0.57 0.41 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 0.05 0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.81 -0.49 -0.17 -0.11 -0.03 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.13 0.17 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 345.16886 0.99968 0.01878 0.01716 -0.01884 0.99982 0.00344 -0.0171 -0.00376 0.99985 asymmetric 1 0.01280 0.00890 0.00695 0.26667 0.18547 0.14472 1034328.6 25.03 44.85 50.38 66.77 70.54 79.81 87.05 99.99 103.49 120.40 122.35 151.11 176.07 185.42 209.01 245.44 264.70 316.40 333.45 358.68 369.47 392.73 420.22 448.94 503.36 536.57 558.06 583.42 624.38 694.17 721.55 743.68 781.08 872.52 876.58 927.86 930.23 949.35 965.23 1031.18 1072.47 1086.08 1087.61 1101.64 1109.59 1143.80 1149.97 1204.07 1234.86 1255.36 1274.79 1277.19 1281.76 1294.14 1298.54 1323.81 1336.05 1363.33 1366.35 1385.61 1398.51 1404.38 1439.72 1466.74 1483.66 1486.64 1529.40 1539.07 1566.01 1573.45 1585.63 1608.19 1613.95 1630.55 1656.32 1664.85 1702.75 1727.93 1752.27 1781.70 1785.28 1789.77 1833.91 1839.51 1859.43 1874.15 1881.59 1892.43 1895.70 1901.61 1914.32 1960.96 1983.26 1989.06 2000.38 2008.13 2022.26 2025.18 2033.79 2078.74 2094.67 2107.13 2127.92 2133.32 2141.24 2142.45 2151.60 2157.15 2171.75 2200.17 2233.05 2348.85 2432.97 2434.97 2498.76 4312.48 4354.27 4355.27 4393.09 4398.39 4404.09 4405.98 4420.52 4425.83 4436.35 4454.64 4474.57 4475.25 4489.57 4502.69 4514.38 4604.74 4657.75 4668.56 4672.10 4701.02 4708.03 4727.01 0.393955 0.418617 0.419562 0.336216 -1164.897347 -1164.872685 -1164.871741 -1164.955086 262.686 90.927 175.415 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 35.061 260.909 84.966 96.943 1 0.593 1.986 6.911 2 0.594 1.983 5.753 3 0.594 1.982 5.523 4 0.595 1.979 4.965 5 0.595 1.978 4.856 6 0.596 1.975 4.612 7 0.597 1.973 4.441 8 0.598 1.969 4.168 9 0.598 1.967 4.100 10 0.601 1.960 3.803 11 0.601 1.960 3.771 12 0.605 1.945 3.359 13 0.610 1.930 3.063 14 0.611 1.924 2.963 15 0.617 1.908 2.733 16 0.626 1.879 2.429 17 0.631 1.862 2.288 18 0.647 1.811 1.960 19 0.653 1.792 1.865 20 0.662 1.764 1.736 21 0.666 1.751 1.683 22 0.676 1.723 1.577 23 0.687 1.689 1.462 24 0.700 1.651 1.352 25 0.727 1.576 1.167 26 0.744 1.528 1.068 27 0.756 1.496 1.008 28 0.770 1.458 0.943 29 0.795 1.396 0.846 30 0.839 1.289 0.703 31 0.857 1.247 0.654 32 0.872 1.213 0.617 33 0.898 1.155 0.559 34 0.965 1.018 0.439 35 0.968 1.012 0.434 0.361434e+27 26.558029 61.152121 0.139781e+12 11.145448 25.663342 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.102584e+08 7.011079 16.143607 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2913023 2.06E-9 4.719E-6 0.393955 0.4186173 -1164.872685 -1164.8717408 -1164.9550863 14.1786814,1.4171272,-15.5958085,-13.4681752,-5.9050925,-8.091414 C01 [X(C18H23N3O4)] -1.6345446 -1.5312267 1.5427675 -1.1846383 0.7619522 -0.5656099 0.8269896 -1.3383057 0.3915311 -0.5531392 0.3060049 -1.1104174 -1.0309639 -0.2659253 0.2428069 -0.2265366 -0.6971357 0.083606 0.2015353 0.0724584 -0.230029 -0.6535649 0.1525701 -0.2023612 -0.0705196 -0.9420018 -0.5294045 -0.552533 -0.2320725 -1.6056282 -1.1307343 -0.0671486 0.3866087 -0.1413948 -0.8459457 -0.3998212 0.5985145 -0.3833834 -1.6230029 -1.8155849 -0.2918956 0.3066631 -0.097258 -0.6141501 -0.0912548 0.4446756 -0.1012452 -0.898883 -0.7922258 -0.7849731 -0.5288291 -0.7927591 -0.945799 -0.7212731 -0.5350172 -0.6610027 -0.7486713 -0.6206186 -0.2577383 -0.2128479 -0.1745787 -0.6492163 -0.186968 -0.202802 -0.229992 -0.585599 0.3416684 0.3381953 0.3716888 0.1789593 0.2564246 0.0781294 0.3209511 0.0716176 0.3236348 0.1131073 -0.0566988 -0.0500633 -0.0333987 0.0784903 -0.0321109 0.0148763 -0.0852283 0.0611858 0.5670617 -0.1415135 -0.3452701 -0.3736326 0.2684545 0.0708428 -0.5658354 0.0196296 0.8392976 1.0477042 -0.6218007 0.6579662 -0.4730017 1.5807883 0.2460392 0.991894 -0.0461061 2.2725964 2.6878894 0.8860838 -0.3656417 0.9696163 1.2934467 0.7509848 -0.4279459 0.7340371 2.0600801 0.0990421 0.0401455 -0.0160588 0.0435385 0.0238206 -0.0103871 -0.0352203 0.0215396 0.0839675 0.2585152 0.2473741 -0.0625235 0.3230613 0.4548141 -0.0940031 -0.1215888 -0.0078818 -0.0772566 0.770199 -0.3406912 0.0885696 -0.41915 0.8794032 -0.1720369 -0.1328383 0.0088914 0.2008778 -0.0628721 -0.04152 -0.0772897 -0.0163617 0.1371206 0.0355486 0.0171491 0.0143979 0.197364 -0.1256848 -0.0864225 -0.0191777 -0.0825291 0.0459754 0.003746 0.0279487 0.0040449 -0.2411919 -0.0085509 -0.0241774 -0.0628034 -0.0552763 0.1539846 -0.1011642 -0.0966964 -0.1206555 0.0966968 0.3987135 0.4378369 0.3557725 0.1273862 -0.0124139 0.0905427 0.0878554 0.0536954 -0.0967957 0.0035012 0.2346241 0.1506579 0.3924111 0.7077876 0.4964351 0.366677 0.5416805 0.4475042 -0.0651787 -0.082587 -0.0331 -0.0832704 -0.0935468 -0.0077531 -0.0311687 0.0078079 -0.2493964 0.5688356 0.1521587 -0.1651504 0.1870633 0.0415384 -0.0712313 -0.1787412 -0.0525116 -0.0770506 0.1979152 -0.1415974 -0.0317704 -0.0794935 -0.0630077 0.0755823 0.0046251 0.0882363 -0.1132725 0.309686 0.0783009 0.2205714 0.0351239 0.162404 0.2305237 0.1363561 0.2277648 -0.1832358 -0.018931 -0.1503119 0.0124924 -0.2026967 -0.1802201 0.0315791 -0.0126816 0.0913193 -0.4046671 0.0350136 -0.0684218 -0.0019743 -0.028429 0.043754 0.0164769 0.022588 0.0454067 0.044869 -0.0455013 -0.0149645 0.1260596 0.0063383 0.0244527 0.0382106 0.0807205 0.0483016 0.0172278 -0.0046947 -0.076988 -0.107564 -0.0449729 -0.0090536 -0.0637904 -0.099206 -0.0748621 -0.0132029 -0.0666849 0.0403017 -0.0185269 0.0144553 0.1107551 -0.0654951 0.0237745 -0.0760287 -0.0066842 0.0431823 -0.0462287 0.0578703 -0.0218965 -0.0621326 0.0679652 0.1149556 0.0115698 0.0201694 0.0393413 0.088303 -0.0628783 0.0967168 -0.0304284 0.1046699 -0.0777609 0.1178164 -0.0920834 -0.0889416 -0.01451 0.1290643 -0.0593183 0.0198519 0.0516722 0.141 0.0072117 0.0118665 -0.0171188 -0.0849098 -0.0842611 -0.0534502 -0.0296894 -0.0938261 -0.0525584 -0.1129497 0.0316422 0.0259844 0.0129333 -0.0633532 0.0381822 0.0352395 0.0225171 0.0210137 -0.0910376 -0.0606663 -0.051857 -0.0598651 0.0210759 0.0028782 -0.1173343 0.0768221 0.0781033 0.105413 0.05212 0.023258 -0.0786913 0.026211 -0.1067882 -0.0531538 0.0909702 0.004114 0.0772723 -0.0339889 -0.0212693 0.1420951 0.0108414 0.1227656 -0.0896487 -0.0801037 -0.0064111 -0.0316784 0.0297582 0.150472 -0.002176 0.0126456 -0.021216 -0.0177961 0.0132535 0.00616 0.0043486 0.2202502 -0.0222559 -0.1431645 -0.01195 -0.0999997 -0.0919425 0.101889 0.0209896 0.0674695 -0.01196 -0.0285263 0.0765575 0.0243345 0.1303187 -0.0842483 -0.0624257 0.0343173 -0.0717764 0.0211501 0.1192546 0.0068958 -0.0116175 0.0324544 0.1380554 -0.0702797 0.0058068 -0.0807617 0.1971469 0.1739031 0.0037754 -0.0416879 0.0147674 0.1551161 -0.037419 -0.03595 -0.040271 0.1597457 -0.0044249 0.0303731 0.0600798 0.0459254 0.1366782 -0.0109985 0.0488939 -0.0001638 0.211508 0.1015639 -0.0037875 0.0369095 0.0201376 0.0471231 0.0036178 0.030833 0.012262 0.23217 -0.0209832 -0.0029458 -0.03241 -0.0308026 0.139145 -0.0561832 -0.0475379 -0.0425111 0.1739886 -0.0639945 0.1177051 -0.0222902 0.1061184 -0.0457093 -0.0751284 0.0020872 -0.0802669 0.1481311 -0.1040707 -0.0261937 -0.1055935 -0.0014868 0.0825343 -0.0614325 -0.0707434 -0.0662657 0.1495302 -0.0259406 0.1296663 0.0037146 0.07501 -0.0042781 -0.0786649 -0.0120398 -0.0715449 0.1592041 351.1608215|-0.6817932|327.7301664|6.1998013|37.9186963|290.1281998 -0.000000655 0.000002656 0.000001116 -0.000002717 0.000002400 -0.000004909 0.000005294 0.000006168 0.000016327 0.000001884 -0.000004408 -0.000009788 0.000009115 -0.000001741 -0.000012094 -0.000018794 0.000006273 0.000000552 -0.000007691 0.000000355 -0.000012298 0.000005442 -0.000002769 0.000009960 0.000000126 -0.000001894 0.000002851 -0.000009056 0.000007041 -0.000004462 -0.000004035 -0.000015191 -0.000013843 -0.000006759 0.000004306 0.000009060 0.000003744 -0.000006538 -0.000000686 0.000003438 0.000000525 -0.000000764 0.000005512 0.000000429 0.000004481 -0.000009087 -0.000002440 0.000007212 0.000004529 -0.000001090 -0.000001326 -0.000000210 -0.000003347 -0.000001486 0.000007550 -0.000005216 -0.000001501 0.000011480 -0.000005179 0.000005915 -0.000003423 0.000007744 -0.000005445 0.000002191 0.000001581 0.000001803 0.000004253 -0.000002190 0.000002539 -0.000000919 0.000000236 0.000002029 -0.000001456 0.000000147 0.000002607 -0.000000790 -0.000000217 -0.000003016 0.000002439 -0.000000362 -0.000001803 0.000001698 -0.000000102 -0.000002631 0.000000802 0.000000552 0.000000033 0.000001604 -0.000000249 0.000002856 0.000000309 0.000000171 -0.000003297 0.000000478 0.000002110 -0.000002233 0.000001873 0.000002805 -0.000003155 -0.000001096 -0.000001400 0.000000880 -0.000002623 -0.000000326 0.000002208 0.000000848 -0.000001427 0.000001185 0.000000606 -0.000001468 0.000002532 -0.000002184 0.000003115 0.000000567 -0.000002809 0.000001912 0.000004147 -0.000001666 0.000001003 0.000003260 0.000001636 0.000000033 0.000001796 -0.000000785 0.000000361 -0.000001379 -0.000000501 0.000001349 -0.000004823 0.000001670 0.000002779 -0.000003675 0.000000493 -0.000000278 0.000000464 -0.000000532 0.000000256 0.000003680 -0.000000950 0.000000502 0.000002940 -0.000000276 0.000001024 0.000001613 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 11-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF151/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction pefurazoate CONF151 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 713 A 688 A 688 1084 713 92 92 2348.2102840621 48 48 48 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 -0.0590248195 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 5.455615 0.000000 2.259534 6.259002 0.000000 3.045253 4.998300 3.435241 0.000000 2.658539 3.055999 3.584015 2.275605 0.000000 4.140787 3.936985 5.308830 2.288609 2.376426 0.000000 6.258779 4.414788 7.505081 4.404817 4.286291 2.220297 0.000000 2.361832 3.832673 2.428433 2.717453 1.476083 3.716458 5.702118 0.000000 3.697497 4.201269 2.864189 3.095866 2.519150 4.338529 6.166319 1.533422 0.000000 3.227301 2.444799 4.626999 3.609709 1.481366 2.905753 4.302931 2.509473 3.687393 0.000000 1.333113 5.249369 1.211908 2.798642 2.486714 4.324872 6.497342 1.533202 2.552820 3.445609 0.000000 3.015441 3.902906 3.903167 1.223797 1.353948 1.430299 3.605000 2.408707 3.082174 2.511317 2.955857 0.000000 4.901967 3.386765 4.357823 4.037408 3.021080 4.617895 6.007979 2.548885 1.528932 3.835373 3.915835 3.697553 0.000000 4.425213 1.371138 5.428905 4.702102 2.470584 3.935312 4.898979 3.104632 3.895873 1.486393 4.361145 3.616535 3.506931 0.000000 1.458863 6.874357 2.783083 3.877348 4.041279 5.113446 7.198262 3.748857 4.937484 4.562823 2.420813 4.118847 6.257300 5.823022 0.000000 2.405228 7.225104 4.011896 3.888029 4.419147 4.756668 6.648264 4.590082 5.787540 4.861784 3.503832 4.123397 7.015552 6.288046 1.517741 0.000000 5.055801 2.232812 5.884795 5.828619 3.564815 5.277264 6.217541 3.758020 4.471300 2.608472 4.931167 4.832298 3.995682 1.360335 6.409984 7.076518 0.000000 2.930593 6.798195 5.018298 4.427567 4.420205 4.533602 6.113449 4.944122 6.318799 4.406816 4.215551 4.249193 7.319752 5.837452 2.553642 1.537975 6.627639 0.000000 4.773446 5.241796 6.056795 2.864590 3.610660 1.389495 2.258747 4.861737 5.505902 4.080083 5.157598 2.482481 5.919788 5.220911 5.420449 4.685123 6.553496 4.424732 0.000000 5.253235 3.336120 6.383571 3.500537 3.049126 1.379680 1.309469 4.447000 4.909487 3.165821 5.362776 2.536930 4.751922 3.750532 6.343396 6.033784 5.096964 5.620378 2.222733 0.000000 6.350381 2.235067 6.952903 6.697912 4.526646 6.001915 6.598229 4.736232 5.077015 3.717385 6.072755 5.693545 4.179752 2.243326 7.747682 8.397206 1.435751 7.959082 7.317764 5.541743 0.000000 6.497408 1.367468 7.103740 6.227296 4.244511 5.292194 5.610296 4.727297 4.898326 3.599640 6.185126 5.192186 3.814014 2.205110 7.933991 8.419510 2.234596 7.992691 6.596276 4.616113 1.357742 0.000000 6.006266 5.436417 7.332144 4.097643 4.538610 2.191432 1.387373 5.903705 6.470336 4.744325 6.388022 3.565845 6.620574 5.665346 6.704089 5.920511 7.008413 5.450864 1.362515 2.153228 7.593597 6.723088 0.000000 4.304611 7.589353 6.299412 5.093733 5.391571 4.840041 6.021054 6.141488 7.432097 5.352842 5.514571 4.941397 8.358735 6.792325 3.884486 2.525202 7.703575 1.501436 4.308180 5.848181 8.959663 8.846963 5.127876 0.000000 5.013008 7.289199 7.028082 5.208228 5.455947 4.402162 5.131150 6.470187 7.695713 5.305143 6.127543 4.887678 8.432244 6.681051 4.900422 3.599032 7.705109 2.515059 3.675498 5.203181 8.840243 8.571813 4.200408 1.332635 0.000000 2.734066 3.634534 2.930636 3.766142 2.060605 4.436941 6.261914 1.094184 2.136777 2.448466 2.102427 3.280196 2.757149 2.683323 4.118634 5.099358 2.972977 5.281288 5.639872 4.987554 4.034810 4.310492 6.592697 6.573638 6.931284 0.000000 3.914216 4.794516 2.966744 2.533984 2.822786 4.105545 5.956532 2.159119 1.091711 4.207609 2.807313 2.876843 2.168650 4.627494 4.997854 5.676058 5.386477 6.348505 5.112248 4.797355 5.974089 5.620870 6.115472 7.328654 7.559870 3.043245 0.000000 3.991886 5.041593 2.606877 3.909979 3.423281 5.367489 7.249028 2.126504 1.092516 4.484341 2.704248 4.045558 2.162648 4.618173 5.089061 6.149935 4.940568 6.820965 6.488350 5.990046 5.546643 5.569067 7.511294 8.036751 8.440165 2.432185 1.753797 0.000000 3.775540 2.724161 5.408659 3.792753 2.107151 2.452189 3.496383 3.415094 4.534106 1.087815 4.208228 2.613299 4.629425 2.135238 4.950698 4.918437 3.329509 4.223705 3.451000 2.552862 4.291577 3.975270 3.927102 4.897647 4.612147 3.509854 4.882005 5.417617 0.000000 2.743051 3.336094 4.398958 4.057081 2.093704 3.675679 5.180131 2.679865 4.091579 1.092265 3.223739 3.131242 4.477337 2.103497 3.972946 4.395478 2.758208 3.873571 4.678870 4.126899 4.100455 4.305865 5.451967 4.995722 5.161183 2.390201 4.688003 4.695011 1.755447 0.000000 5.804754 4.248874 4.934697 4.701091 4.039372 5.423878 6.699408 3.490976 2.163937 4.917841 4.707730 4.541061 1.093469 4.533233 7.091910 7.874818 4.933767 8.287670 6.663903 5.509124 4.914537 4.492880 7.323882 9.304737 9.375749 3.736165 2.510119 2.483342 5.672763 5.568187 0.000000 5.106425 3.104883 4.701648 4.806295 3.333037 5.183619 6.492429 2.796147 2.181923 3.766872 4.201732 4.301616 1.094499 3.100312 6.503653 7.364476 3.239179 7.544149 6.543261 5.215272 3.325559 3.228808 7.200594 8.666235 8.766030 2.556126 3.084744 2.536179 4.661478 4.292561 1.769445 0.000000 5.078887 2.730885 4.923472 3.784934 2.753311 3.889037 5.031231 2.850482 2.182270 3.484629 4.292674 3.253295 1.092091 3.167527 6.462327 7.004345 3.934262 7.158680 5.204195 3.813096 4.037646 3.353135 5.751126 8.051127 7.959334 3.179723 2.524999 3.079649 4.076154 4.336048 1.765539 1.766157 0.000000 2.088949 7.472508 2.362871 3.999126 4.535357 5.632955 7.792207 3.995288 4.914058 5.298723 2.496370 4.514945 6.358715 6.490327 1.089377 2.171399 7.061967 3.504571 5.923736 6.912780 8.341194 8.504628 7.261555 4.691240 5.716598 4.470057 4.849864 4.909185 5.764281 4.808751 7.068055 6.695033 6.673841 0.000000 2.056235 7.259215 3.347168 4.868597 4.664042 5.920781 7.934477 4.294567 5.564581 4.921427 3.030255 4.962319 6.825620 6.080245 1.092715 2.179304 6.471979 2.812391 6.277292 7.065915 7.864793 8.221708 7.502542 4.212697 5.318027 4.404426 5.787965 5.609025 5.353687 4.128662 7.693711 6.914667 7.094298 1.778566 0.000000 2.651776 7.061992 3.967933 3.129093 4.165861 4.146392 6.053307 4.447933 5.464437 4.851043 3.484221 3.562843 6.681418 6.295090 2.136748 1.094839 7.233103 2.171359 3.945904 5.492203 8.462039 8.319184 5.236165 2.764569 3.558602 5.158990 5.166920 5.925487 4.843537 4.624185 7.473918 7.178257 6.591302 2.476280 3.065885 0.000000 3.344629 8.318495 4.664841 4.807323 5.501562 5.757237 7.581981 5.583907 6.722827 5.943597 4.368230 5.162075 8.015390 7.361430 2.123379 1.095958 8.103959 2.171669 5.536767 7.048713 9.446436 9.504603 6.744410 2.776098 4.004777 6.076710 6.563248 6.996118 5.982509 5.425732 8.836719 8.375085 8.045899 2.463780 2.515887 1.762180 0.000000 4.875368 3.272865 5.740129 6.205488 3.971754 5.870311 6.991915 3.930690 4.809673 3.008599 4.844440 5.292498 4.591017 2.175781 6.117968 6.905082 1.079298 6.460382 7.085531 5.872844 2.261228 3.282659 7.652851 7.642720 7.798080 2.975229 5.780452 5.102858 3.795829 2.744960 5.532227 3.791277 4.711589 6.788836 6.007431 7.215353 7.868237 0.000000 3.300113 7.243433 5.385700 5.341416 5.042022 5.452789 6.986280 5.419865 6.870683 4.827535 4.631696 5.103362 7.867597 6.151826 2.778415 2.153359 6.750095 1.098518 5.447508 6.455587 8.137243 8.339409 6.414463 2.133608 3.202450 5.563877 7.030931 7.268580 4.730978 4.084617 8.864355 7.962462 7.788040 3.776801 2.591044 3.064392 2.492933 6.418395 0.000000 2.578205 5.724225 4.789684 3.907485 3.514666 3.708905 5.284261 4.219958 5.632304 3.353898 3.797018 3.471824 6.485440 4.785813 2.786894 2.168980 5.631565 1.093866 3.830056 4.697039 6.929686 6.923000 4.810607 2.135533 2.636172 4.513952 5.745167 6.231742 3.133476 2.888567 7.492131 6.667325 6.256762 3.791372 3.116015 2.533092 3.074333 5.552115 1.762870 0.000000 4.512815 6.053438 5.775562 2.752714 3.960104 2.157352 3.319159 5.017189 5.713603 4.573868 4.990270 2.758154 6.373697 5.860811 4.893130 3.990461 7.144887 3.926180 1.076316 3.245860 8.033267 7.417881 2.238531 3.711779 3.264331 5.862418 5.233148 6.599585 4.056741 4.986683 7.103357 7.036312 5.794798 5.319820 5.802595 3.145379 4.726940 7.558550 5.008811 3.575843 0.000000 5.452879 2.384382 6.424276 3.914676 2.949943 2.155332 2.135473 4.241214 4.575092 2.916451 5.403201 2.863908 4.122924 3.074611 6.695925 6.605259 4.361947 6.204577 3.251123 1.077855 4.617363 3.598487 3.206119 6.613009 6.051340 4.625126 4.636996 5.644036 2.523395 3.982871 4.874626 4.465282 3.125949 7.257355 7.347670 6.148130 7.665671 5.248887 6.943415 5.203039 4.225790 0.000000 7.215364 3.275835 7.697073 7.706149 5.539934 7.079337 7.630272 5.602303 5.851890 4.741742 6.895724 6.736828 4.898239 3.290364 8.585602 9.317854 2.260656 8.883749 8.396837 6.599264 1.079126 2.178040 8.655744 9.923597 9.836373 4.808458 6.799850 6.185017 5.332957 5.016080 5.503257 3.935580 4.878934 9.156837 8.622062 9.434543 10.345847 2.749201 8.985002 7.876792 9.108090 5.651802 0.000000 7.410452 2.079622 7.915095 6.799614 5.010289 5.761576 5.767083 5.535663 5.496419 4.498079 7.036412 5.798892 4.232351 3.199925 8.854193 9.284881 3.305444 8.871153 7.021109 4.901564 2.243261 1.078118 6.992756 9.641746 9.270285 5.225041 6.117819 6.191158 4.752683 5.295671 4.711026 3.760312 3.661938 9.388381 9.203649 9.100499 10.377873 4.338101 9.280376 7.793806 7.914483 3.832004 2.744761 0.000000 6.881716 6.433679 8.254022 5.002600 5.590573 3.247415 2.158526 6.943763 7.514124 5.752105 7.339156 4.583468 7.680688 6.680145 7.442487 6.498854 8.009150 5.976765 2.197235 3.176609 8.579957 7.691099 1.079014 5.392084 4.320488 7.641160 7.108928 8.545762 4.877196 6.402434 8.354397 8.274312 6.800066 7.996504 8.234605 5.801203 7.214188 8.640306 6.936033 5.463013 2.758906 4.192260 9.632009 7.912594 0.000000 4.978371 8.656151 6.828064 5.849973 6.347865 5.809186 6.983663 6.980900 8.242070 6.385376 6.184328 5.854006 9.262863 7.832131 4.265382 2.839953 8.706625 2.206632 5.173597 6.862736 9.991534 9.911010 5.990382 1.090044 2.092712 7.431088 8.086856 8.776306 5.975606 5.973806 10.180488 9.595664 9.004637 4.940972 4.518044 3.140787 2.651073 8.586358 2.563422 3.089756 4.445495 7.658279 10.941612 10.715600 6.143322 0.000000 6.057464 8.150245 8.010975 6.021799 6.430767 5.121385 5.524594 7.487191 8.656626 6.292838 7.147837 5.757909 9.365556 7.633974 5.866118 4.479117 8.686668 3.504108 4.182139 5.823199 9.772158 9.436692 4.475796 2.115237 1.085803 7.984312 8.452971 9.426749 5.526257 6.206274 10.281077 9.739919 8.836238 6.620559 6.289151 4.362857 4.720095 8.815599 4.116901 3.719403 3.749120 6.740010 10.773030 10.076998 4.327730 2.433881 0.000000 4.804297 6.314980 6.839711 4.781530 4.758280 3.596491 4.185095 5.922522 7.125999 4.485525 5.828400 4.247215 7.707338 5.794434 5.012137 3.916946 6.867357 2.780340 3.012898 4.243243 7.927466 7.593364 3.424045 2.115515 1.086687 6.350505 7.046515 7.946782 3.680959 4.479097 8.665802 8.010222 7.156987 5.875766 5.467342 3.802620 4.560633 7.058287 3.509672 2.445773 2.908105 5.058530 8.934907 8.256975 3.684261 3.073396 1.849462 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2666664 0.1854692 0.1447228 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= 688 RedAO= T EigKep= 2.54D-06 NBF= 688 NBsUse= 687 1.00D-06 EigRej= 9.09D-07 NBFU= 687 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= 711 711 711 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29130232475 -1165.29130232 1 1.160442449605e+03 -7.412539243739e+03 2.738651729655e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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. PT1459.500S Tue Jan 11 19:46:05 2022 GINC-BELVIS7 PAULAPLA 11-Jan-2022 0 Wavefunction pefurazoate CONF151 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2913023 RMSD=3.413e-09 Dipole=-1.6345459,-1.5312276,1.5427693 Quadrupole=14.1786942,1.4171228,-15.595817,-13.4681773,-5.905098,-8.0914242 PG=C01 [X(C18H23N3O4)] 0 -0.0678506394 -2.3068104327 -0.8581374592 0 -2.1772771642 2.2308052002 1.3153617401 0 -0.9761413124 -2.2135130226 -2.9249696534 0 1.1316881507 0.2944770483 -1.8915666442 0 -0.5558263521 0.2596713339 -0.3653100258 0 1.4693845573 1.4244035126 0.0697993769 0 2.1463051252 3.1234501052 1.3286630604 0 -1.4262555816 -0.4343789222 -1.3345709558 0 -1.9022195238 0.4608723974 -2.4849469707 0 -0.9403298153 0.1375238209 1.0600606728 0 -0.789194143 -1.7397830245 -1.8252644839 0 0.6754419205 0.615050455 -0.8021857862 0 -2.6514993002 1.700634963 -1.9958634423 0 -2.1988301523 0.8613111415 1.3789241222 0 0.7380770841 -3.4892869115 -1.1418803806 0 2.1367352194 -3.2359255332 -0.609806917 0 -3.4484665895 0.4381942806 1.7104233603 0 2.1752239325 -2.975262563 0.905428828 0 2.8534636481 1.3313516857 0.1495744949 0 1.1030896597 2.5407635175 0.7930449963 0 -4.2551591134 1.6160413767 1.8630801703 0 -3.4386972405 2.670412155 1.6078232294 0 3.2444283262 2.3695938844 0.9405522707 0 3.5683904932 -2.7267315274 1.4070542678 0 3.9693988789 -1.6208659256 2.033289391 0 -2.3096341335 -0.7443045861 -0.7681541904 0 -1.048138954 0.7470829868 -3.1017639636 0 -2.5559996012 -0.1484757794 -3.1133230789 0 -0.1193826219 0.4842876331 1.6838726993 0 -1.0883210666 -0.9223453404 1.2787347987 0 -3.0225342536 2.2762132427 -2.8483399605 0 -3.5095396109 1.4302736654 -1.3724854268 0 -2.0056217986 2.355656357 -1.4072614222 0 0.7419552451 -3.6723880783 -2.2157524605 0 0.2499634847 -4.3262199419 -0.6365930894 0 2.5670079683 -2.384444224 -1.1469456341 0 2.7473406251 -4.1126961098 -0.853853052 0 -3.7573972431 -0.5894167711 1.8264517345 0 1.7552440238 -3.8513018049 1.4181799397 0 1.5360698916 -2.1224824995 1.1519879948 0 3.3941490733 0.5418513685 -0.3431775985 0 0.0774747495 2.8638103089 0.8673907645 0 -5.301149141 1.6659264955 2.1237116906 0 -3.5816614371 3.7389295585 1.5948121235 0 4.2443254966 2.6207676563 1.2589672895 0 4.2897203437 -3.5222627945 1.2199461778 0 4.9949040164 -1.494807962 2.3670817484 0 3.2859331145 -0.8003094112 2.2344121514 Gaussian 16 11-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF151/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 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 pefurazoate CONF151 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 713 A 688 A 688 1084 713 92 92 2348.2102840621 48 48 48 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 -0.0590248195 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 5.455615 0.000000 2.259534 6.259002 0.000000 3.045253 4.998300 3.435241 0.000000 2.658539 3.055999 3.584015 2.275605 0.000000 4.140787 3.936985 5.308830 2.288609 2.376426 0.000000 6.258779 4.414788 7.505081 4.404817 4.286291 2.220297 0.000000 2.361832 3.832673 2.428433 2.717453 1.476083 3.716458 5.702118 0.000000 3.697497 4.201269 2.864189 3.095866 2.519150 4.338529 6.166319 1.533422 0.000000 3.227301 2.444799 4.626999 3.609709 1.481366 2.905753 4.302931 2.509473 3.687393 0.000000 1.333113 5.249369 1.211908 2.798642 2.486714 4.324872 6.497342 1.533202 2.552820 3.445609 0.000000 3.015441 3.902906 3.903167 1.223797 1.353948 1.430299 3.605000 2.408707 3.082174 2.511317 2.955857 0.000000 4.901967 3.386765 4.357823 4.037408 3.021080 4.617895 6.007979 2.548885 1.528932 3.835373 3.915835 3.697553 0.000000 4.425213 1.371138 5.428905 4.702102 2.470584 3.935312 4.898979 3.104632 3.895873 1.486393 4.361145 3.616535 3.506931 0.000000 1.458863 6.874357 2.783083 3.877348 4.041279 5.113446 7.198262 3.748857 4.937484 4.562823 2.420813 4.118847 6.257300 5.823022 0.000000 2.405228 7.225104 4.011896 3.888029 4.419147 4.756668 6.648264 4.590082 5.787540 4.861784 3.503832 4.123397 7.015552 6.288046 1.517741 0.000000 5.055801 2.232812 5.884795 5.828619 3.564815 5.277264 6.217541 3.758020 4.471300 2.608472 4.931167 4.832298 3.995682 1.360335 6.409984 7.076518 0.000000 2.930593 6.798195 5.018298 4.427567 4.420205 4.533602 6.113449 4.944122 6.318799 4.406816 4.215551 4.249193 7.319752 5.837452 2.553642 1.537975 6.627639 0.000000 4.773446 5.241796 6.056795 2.864590 3.610660 1.389495 2.258747 4.861737 5.505902 4.080083 5.157598 2.482481 5.919788 5.220911 5.420449 4.685123 6.553496 4.424732 0.000000 5.253235 3.336120 6.383571 3.500537 3.049126 1.379680 1.309469 4.447000 4.909487 3.165821 5.362776 2.536930 4.751922 3.750532 6.343396 6.033784 5.096964 5.620378 2.222733 0.000000 6.350381 2.235067 6.952903 6.697912 4.526646 6.001915 6.598229 4.736232 5.077015 3.717385 6.072755 5.693545 4.179752 2.243326 7.747682 8.397206 1.435751 7.959082 7.317764 5.541743 0.000000 6.497408 1.367468 7.103740 6.227296 4.244511 5.292194 5.610296 4.727297 4.898326 3.599640 6.185126 5.192186 3.814014 2.205110 7.933991 8.419510 2.234596 7.992691 6.596276 4.616113 1.357742 0.000000 6.006266 5.436417 7.332144 4.097643 4.538610 2.191432 1.387373 5.903705 6.470336 4.744325 6.388022 3.565845 6.620574 5.665346 6.704089 5.920511 7.008413 5.450864 1.362515 2.153228 7.593597 6.723088 0.000000 4.304611 7.589353 6.299412 5.093733 5.391571 4.840041 6.021054 6.141488 7.432097 5.352842 5.514571 4.941397 8.358735 6.792325 3.884486 2.525202 7.703575 1.501436 4.308180 5.848181 8.959663 8.846963 5.127876 0.000000 5.013008 7.289199 7.028082 5.208228 5.455947 4.402162 5.131150 6.470187 7.695713 5.305143 6.127543 4.887678 8.432244 6.681051 4.900422 3.599032 7.705109 2.515059 3.675498 5.203181 8.840243 8.571813 4.200408 1.332635 0.000000 2.734066 3.634534 2.930636 3.766142 2.060605 4.436941 6.261914 1.094184 2.136777 2.448466 2.102427 3.280196 2.757149 2.683323 4.118634 5.099358 2.972977 5.281288 5.639872 4.987554 4.034810 4.310492 6.592697 6.573638 6.931284 0.000000 3.914216 4.794516 2.966744 2.533984 2.822786 4.105545 5.956532 2.159119 1.091711 4.207609 2.807313 2.876843 2.168650 4.627494 4.997854 5.676058 5.386477 6.348505 5.112248 4.797355 5.974089 5.620870 6.115472 7.328654 7.559870 3.043245 0.000000 3.991886 5.041593 2.606877 3.909979 3.423281 5.367489 7.249028 2.126504 1.092516 4.484341 2.704248 4.045558 2.162648 4.618173 5.089061 6.149935 4.940568 6.820965 6.488350 5.990046 5.546643 5.569067 7.511294 8.036751 8.440165 2.432185 1.753797 0.000000 3.775540 2.724161 5.408659 3.792753 2.107151 2.452189 3.496383 3.415094 4.534106 1.087815 4.208228 2.613299 4.629425 2.135238 4.950698 4.918437 3.329509 4.223705 3.451000 2.552862 4.291577 3.975270 3.927102 4.897647 4.612147 3.509854 4.882005 5.417617 0.000000 2.743051 3.336094 4.398958 4.057081 2.093704 3.675679 5.180131 2.679865 4.091579 1.092265 3.223739 3.131242 4.477337 2.103497 3.972946 4.395478 2.758208 3.873571 4.678870 4.126899 4.100455 4.305865 5.451967 4.995722 5.161183 2.390201 4.688003 4.695011 1.755447 0.000000 5.804754 4.248874 4.934697 4.701091 4.039372 5.423878 6.699408 3.490976 2.163937 4.917841 4.707730 4.541061 1.093469 4.533233 7.091910 7.874818 4.933767 8.287670 6.663903 5.509124 4.914537 4.492880 7.323882 9.304737 9.375749 3.736165 2.510119 2.483342 5.672763 5.568187 0.000000 5.106425 3.104883 4.701648 4.806295 3.333037 5.183619 6.492429 2.796147 2.181923 3.766872 4.201732 4.301616 1.094499 3.100312 6.503653 7.364476 3.239179 7.544149 6.543261 5.215272 3.325559 3.228808 7.200594 8.666235 8.766030 2.556126 3.084744 2.536179 4.661478 4.292561 1.769445 0.000000 5.078887 2.730885 4.923472 3.784934 2.753311 3.889037 5.031231 2.850482 2.182270 3.484629 4.292674 3.253295 1.092091 3.167527 6.462327 7.004345 3.934262 7.158680 5.204195 3.813096 4.037646 3.353135 5.751126 8.051127 7.959334 3.179723 2.524999 3.079649 4.076154 4.336048 1.765539 1.766157 0.000000 2.088949 7.472508 2.362871 3.999126 4.535357 5.632955 7.792207 3.995288 4.914058 5.298723 2.496370 4.514945 6.358715 6.490327 1.089377 2.171399 7.061967 3.504571 5.923736 6.912780 8.341194 8.504628 7.261555 4.691240 5.716598 4.470057 4.849864 4.909185 5.764281 4.808751 7.068055 6.695033 6.673841 0.000000 2.056235 7.259215 3.347168 4.868597 4.664042 5.920781 7.934477 4.294567 5.564581 4.921427 3.030255 4.962319 6.825620 6.080245 1.092715 2.179304 6.471979 2.812391 6.277292 7.065915 7.864793 8.221708 7.502542 4.212697 5.318027 4.404426 5.787965 5.609025 5.353687 4.128662 7.693711 6.914667 7.094298 1.778566 0.000000 2.651776 7.061992 3.967933 3.129093 4.165861 4.146392 6.053307 4.447933 5.464437 4.851043 3.484221 3.562843 6.681418 6.295090 2.136748 1.094839 7.233103 2.171359 3.945904 5.492203 8.462039 8.319184 5.236165 2.764569 3.558602 5.158990 5.166920 5.925487 4.843537 4.624185 7.473918 7.178257 6.591302 2.476280 3.065885 0.000000 3.344629 8.318495 4.664841 4.807323 5.501562 5.757237 7.581981 5.583907 6.722827 5.943597 4.368230 5.162075 8.015390 7.361430 2.123379 1.095958 8.103959 2.171669 5.536767 7.048713 9.446436 9.504603 6.744410 2.776098 4.004777 6.076710 6.563248 6.996118 5.982509 5.425732 8.836719 8.375085 8.045899 2.463780 2.515887 1.762180 0.000000 4.875368 3.272865 5.740129 6.205488 3.971754 5.870311 6.991915 3.930690 4.809673 3.008599 4.844440 5.292498 4.591017 2.175781 6.117968 6.905082 1.079298 6.460382 7.085531 5.872844 2.261228 3.282659 7.652851 7.642720 7.798080 2.975229 5.780452 5.102858 3.795829 2.744960 5.532227 3.791277 4.711589 6.788836 6.007431 7.215353 7.868237 0.000000 3.300113 7.243433 5.385700 5.341416 5.042022 5.452789 6.986280 5.419865 6.870683 4.827535 4.631696 5.103362 7.867597 6.151826 2.778415 2.153359 6.750095 1.098518 5.447508 6.455587 8.137243 8.339409 6.414463 2.133608 3.202450 5.563877 7.030931 7.268580 4.730978 4.084617 8.864355 7.962462 7.788040 3.776801 2.591044 3.064392 2.492933 6.418395 0.000000 2.578205 5.724225 4.789684 3.907485 3.514666 3.708905 5.284261 4.219958 5.632304 3.353898 3.797018 3.471824 6.485440 4.785813 2.786894 2.168980 5.631565 1.093866 3.830056 4.697039 6.929686 6.923000 4.810607 2.135533 2.636172 4.513952 5.745167 6.231742 3.133476 2.888567 7.492131 6.667325 6.256762 3.791372 3.116015 2.533092 3.074333 5.552115 1.762870 0.000000 4.512815 6.053438 5.775562 2.752714 3.960104 2.157352 3.319159 5.017189 5.713603 4.573868 4.990270 2.758154 6.373697 5.860811 4.893130 3.990461 7.144887 3.926180 1.076316 3.245860 8.033267 7.417881 2.238531 3.711779 3.264331 5.862418 5.233148 6.599585 4.056741 4.986683 7.103357 7.036312 5.794798 5.319820 5.802595 3.145379 4.726940 7.558550 5.008811 3.575843 0.000000 5.452879 2.384382 6.424276 3.914676 2.949943 2.155332 2.135473 4.241214 4.575092 2.916451 5.403201 2.863908 4.122924 3.074611 6.695925 6.605259 4.361947 6.204577 3.251123 1.077855 4.617363 3.598487 3.206119 6.613009 6.051340 4.625126 4.636996 5.644036 2.523395 3.982871 4.874626 4.465282 3.125949 7.257355 7.347670 6.148130 7.665671 5.248887 6.943415 5.203039 4.225790 0.000000 7.215364 3.275835 7.697073 7.706149 5.539934 7.079337 7.630272 5.602303 5.851890 4.741742 6.895724 6.736828 4.898239 3.290364 8.585602 9.317854 2.260656 8.883749 8.396837 6.599264 1.079126 2.178040 8.655744 9.923597 9.836373 4.808458 6.799850 6.185017 5.332957 5.016080 5.503257 3.935580 4.878934 9.156837 8.622062 9.434543 10.345847 2.749201 8.985002 7.876792 9.108090 5.651802 0.000000 7.410452 2.079622 7.915095 6.799614 5.010289 5.761576 5.767083 5.535663 5.496419 4.498079 7.036412 5.798892 4.232351 3.199925 8.854193 9.284881 3.305444 8.871153 7.021109 4.901564 2.243261 1.078118 6.992756 9.641746 9.270285 5.225041 6.117819 6.191158 4.752683 5.295671 4.711026 3.760312 3.661938 9.388381 9.203649 9.100499 10.377873 4.338101 9.280376 7.793806 7.914483 3.832004 2.744761 0.000000 6.881716 6.433679 8.254022 5.002600 5.590573 3.247415 2.158526 6.943763 7.514124 5.752105 7.339156 4.583468 7.680688 6.680145 7.442487 6.498854 8.009150 5.976765 2.197235 3.176609 8.579957 7.691099 1.079014 5.392084 4.320488 7.641160 7.108928 8.545762 4.877196 6.402434 8.354397 8.274312 6.800066 7.996504 8.234605 5.801203 7.214188 8.640306 6.936033 5.463013 2.758906 4.192260 9.632009 7.912594 0.000000 4.978371 8.656151 6.828064 5.849973 6.347865 5.809186 6.983663 6.980900 8.242070 6.385376 6.184328 5.854006 9.262863 7.832131 4.265382 2.839953 8.706625 2.206632 5.173597 6.862736 9.991534 9.911010 5.990382 1.090044 2.092712 7.431088 8.086856 8.776306 5.975606 5.973806 10.180488 9.595664 9.004637 4.940972 4.518044 3.140787 2.651073 8.586358 2.563422 3.089756 4.445495 7.658279 10.941612 10.715600 6.143322 0.000000 6.057464 8.150245 8.010975 6.021799 6.430767 5.121385 5.524594 7.487191 8.656626 6.292838 7.147837 5.757909 9.365556 7.633974 5.866118 4.479117 8.686668 3.504108 4.182139 5.823199 9.772158 9.436692 4.475796 2.115237 1.085803 7.984312 8.452971 9.426749 5.526257 6.206274 10.281077 9.739919 8.836238 6.620559 6.289151 4.362857 4.720095 8.815599 4.116901 3.719403 3.749120 6.740010 10.773030 10.076998 4.327730 2.433881 0.000000 4.804297 6.314980 6.839711 4.781530 4.758280 3.596491 4.185095 5.922522 7.125999 4.485525 5.828400 4.247215 7.707338 5.794434 5.012137 3.916946 6.867357 2.780340 3.012898 4.243243 7.927466 7.593364 3.424045 2.115515 1.086687 6.350505 7.046515 7.946782 3.680959 4.479097 8.665802 8.010222 7.156987 5.875766 5.467342 3.802620 4.560633 7.058287 3.509672 2.445773 2.908105 5.058530 8.934907 8.256975 3.684261 3.073396 1.849462 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2666664 0.1854692 0.1447228 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= 688 RedAO= T EigKep= 2.54D-06 NBF= 688 NBsUse= 687 1.00D-06 EigRej= 9.09D-07 NBFU= 687 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= 711 711 711 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29130232475 -1165.29130232 1 1.160442449605e+03 -7.412539243739e+03 2.738651729655e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.9782 249.06 0.0135 0.000 92 93 0.69835 -1165.10835794 2 Singlet-A 5.1900 238.89 0.0405 0.000 91 93 0.69204 3 Singlet-A 5.5859 221.96 0.1699 0.000 89 94 0.14528 89 95 -0.14872 92 94 0.60442 92 95 -0.24736 4 Singlet-A 5.6107 220.98 0.0134 0.000 83 93 -0.13290 88 93 0.66594 5 Singlet-A 5.6915 217.84 0.0749 0.000 89 93 -0.28496 89 94 0.11692 89 95 -0.20217 90 93 0.52019 92 94 -0.15312 92 95 -0.20623 6 Singlet-A 5.7138 216.99 0.0750 0.000 85 95 0.10809 89 93 0.25183 89 94 -0.12915 89 95 0.23202 90 93 0.46452 92 94 0.21824 92 95 0.24963 7 Singlet-A 5.7640 215.10 0.0111 0.000 89 93 0.22718 89 94 -0.10452 91 94 0.51260 92 95 -0.35588 8 Singlet-A 5.8239 212.89 0.0343 0.000 85 95 -0.12899 89 94 0.22353 89 95 -0.25112 91 94 0.36958 92 95 0.31366 92 96 0.10008 92 97 0.26997 9 Singlet-A 5.8851 210.67 0.0752 0.000 85 95 -0.10041 89 93 0.51603 89 94 0.13361 89 95 -0.23811 91 94 -0.24288 92 94 -0.18430 10 Singlet-A 5.9605 208.01 0.0223 0.000 89 94 -0.12729 91 94 -0.12747 91 95 0.10789 92 95 -0.28995 92 96 0.25897 92 97 0.49013 92 99 -0.16199 PT62184.500S Tue Jan 11 20:23:15 2022 GINC-BELVIS7 PAULAPLA 11-Jan-2022 0 Electronic spectrum pefurazoate CONF151 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2913023 RMSD=3.255e-09 PG=C01[X(C18H23N3O4)] 0 -0.0678506394 -2.3068104327 -0.8581374592 0 -2.1772771642 2.2308052002 1.3153617401 0 -0.9761413124 -2.2135130226 -2.9249696534 0 1.1316881507 0.2944770483 -1.8915666442 0 -0.5558263521 0.2596713339 -0.3653100258 0 1.4693845573 1.4244035126 0.0697993769 0 2.1463051252 3.1234501052 1.3286630604 0 -1.4262555816 -0.4343789222 -1.3345709558 0 -1.9022195238 0.4608723974 -2.4849469707 0 -0.9403298153 0.1375238209 1.0600606728 0 -0.789194143 -1.7397830245 -1.8252644839 0 0.6754419205 0.615050455 -0.8021857862 0 -2.6514993002 1.700634963 -1.9958634423 0 -2.1988301523 0.8613111415 1.3789241222 0 0.7380770841 -3.4892869115 -1.1418803806 0 2.1367352194 -3.2359255332 -0.609806917 0 -3.4484665895 0.4381942806 1.7104233603 0 2.1752239325 -2.975262563 0.905428828 0 2.8534636481 1.3313516857 0.1495744949 0 1.1030896597 2.5407635175 0.7930449963 0 -4.2551591134 1.6160413767 1.8630801703 0 -3.4386972405 2.670412155 1.6078232294 0 3.2444283262 2.3695938844 0.9405522707 0 3.5683904932 -2.7267315274 1.4070542678 0 3.9693988789 -1.6208659256 2.033289391 0 -2.3096341335 -0.7443045861 -0.7681541904 0 -1.048138954 0.7470829868 -3.1017639636 0 -2.5559996012 -0.1484757794 -3.1133230789 0 -0.1193826219 0.4842876331 1.6838726993 0 -1.0883210666 -0.9223453404 1.2787347987 0 -3.0225342536 2.2762132427 -2.8483399605 0 -3.5095396109 1.4302736654 -1.3724854268 0 -2.0056217986 2.355656357 -1.4072614222 0 0.7419552451 -3.6723880783 -2.2157524605 0 0.2499634847 -4.3262199419 -0.6365930894 0 2.5670079683 -2.384444224 -1.1469456341 0 2.7473406251 -4.1126961098 -0.853853052 0 -3.7573972431 -0.5894167711 1.8264517345 0 1.7552440238 -3.8513018049 1.4181799397 0 1.5360698916 -2.1224824995 1.1519879948 0 3.3941490733 0.5418513685 -0.3431775985 0 0.0774747495 2.8638103089 0.8673907645 0 -5.301149141 1.6659264955 2.1237116906 0 -3.5816614371 3.7389295585 1.5948121235 0 4.2443254966 2.6207676563 1.2589672895 0 4.2897203437 -3.5222627945 1.2199461778 0 4.9949040164 -1.494807962 2.3670817484 0 3.2859331145 -0.8003094112 2.2344121514 Gaussian 16 11-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF151/o #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point pefurazoate CONF151 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 1332 A 1182 A 1182 1703 1332 92 92 2348.2102840621 48 48 48 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 -0.0590248195 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 5.455615 0.000000 2.259534 6.259002 0.000000 3.045253 4.998300 3.435241 0.000000 2.658539 3.055999 3.584015 2.275605 0.000000 4.140787 3.936985 5.308830 2.288609 2.376426 0.000000 6.258779 4.414788 7.505081 4.404817 4.286291 2.220297 0.000000 2.361832 3.832673 2.428433 2.717453 1.476083 3.716458 5.702118 0.000000 3.697497 4.201269 2.864189 3.095866 2.519150 4.338529 6.166319 1.533422 0.000000 3.227301 2.444799 4.626999 3.609709 1.481366 2.905753 4.302931 2.509473 3.687393 0.000000 1.333113 5.249369 1.211908 2.798642 2.486714 4.324872 6.497342 1.533202 2.552820 3.445609 0.000000 3.015441 3.902906 3.903167 1.223797 1.353948 1.430299 3.605000 2.408707 3.082174 2.511317 2.955857 0.000000 4.901967 3.386765 4.357823 4.037408 3.021080 4.617895 6.007979 2.548885 1.528932 3.835373 3.915835 3.697553 0.000000 4.425213 1.371138 5.428905 4.702102 2.470584 3.935312 4.898979 3.104632 3.895873 1.486393 4.361145 3.616535 3.506931 0.000000 1.458863 6.874357 2.783083 3.877348 4.041279 5.113446 7.198262 3.748857 4.937484 4.562823 2.420813 4.118847 6.257300 5.823022 0.000000 2.405228 7.225104 4.011896 3.888029 4.419147 4.756668 6.648264 4.590082 5.787540 4.861784 3.503832 4.123397 7.015552 6.288046 1.517741 0.000000 5.055801 2.232812 5.884795 5.828619 3.564815 5.277264 6.217541 3.758020 4.471300 2.608472 4.931167 4.832298 3.995682 1.360335 6.409984 7.076518 0.000000 2.930593 6.798195 5.018298 4.427567 4.420205 4.533602 6.113449 4.944122 6.318799 4.406816 4.215551 4.249193 7.319752 5.837452 2.553642 1.537975 6.627639 0.000000 4.773446 5.241796 6.056795 2.864590 3.610660 1.389495 2.258747 4.861737 5.505902 4.080083 5.157598 2.482481 5.919788 5.220911 5.420449 4.685123 6.553496 4.424732 0.000000 5.253235 3.336120 6.383571 3.500537 3.049126 1.379680 1.309469 4.447000 4.909487 3.165821 5.362776 2.536930 4.751922 3.750532 6.343396 6.033784 5.096964 5.620378 2.222733 0.000000 6.350381 2.235067 6.952903 6.697912 4.526646 6.001915 6.598229 4.736232 5.077015 3.717385 6.072755 5.693545 4.179752 2.243326 7.747682 8.397206 1.435751 7.959082 7.317764 5.541743 0.000000 6.497408 1.367468 7.103740 6.227296 4.244511 5.292194 5.610296 4.727297 4.898326 3.599640 6.185126 5.192186 3.814014 2.205110 7.933991 8.419510 2.234596 7.992691 6.596276 4.616113 1.357742 0.000000 6.006266 5.436417 7.332144 4.097643 4.538610 2.191432 1.387373 5.903705 6.470336 4.744325 6.388022 3.565845 6.620574 5.665346 6.704089 5.920511 7.008413 5.450864 1.362515 2.153228 7.593597 6.723088 0.000000 4.304611 7.589353 6.299412 5.093733 5.391571 4.840041 6.021054 6.141488 7.432097 5.352842 5.514571 4.941397 8.358735 6.792325 3.884486 2.525202 7.703575 1.501436 4.308180 5.848181 8.959663 8.846963 5.127876 0.000000 5.013008 7.289199 7.028082 5.208228 5.455947 4.402162 5.131150 6.470187 7.695713 5.305143 6.127543 4.887678 8.432244 6.681051 4.900422 3.599032 7.705109 2.515059 3.675498 5.203181 8.840243 8.571813 4.200408 1.332635 0.000000 2.734066 3.634534 2.930636 3.766142 2.060605 4.436941 6.261914 1.094184 2.136777 2.448466 2.102427 3.280196 2.757149 2.683323 4.118634 5.099358 2.972977 5.281288 5.639872 4.987554 4.034810 4.310492 6.592697 6.573638 6.931284 0.000000 3.914216 4.794516 2.966744 2.533984 2.822786 4.105545 5.956532 2.159119 1.091711 4.207609 2.807313 2.876843 2.168650 4.627494 4.997854 5.676058 5.386477 6.348505 5.112248 4.797355 5.974089 5.620870 6.115472 7.328654 7.559870 3.043245 0.000000 3.991886 5.041593 2.606877 3.909979 3.423281 5.367489 7.249028 2.126504 1.092516 4.484341 2.704248 4.045558 2.162648 4.618173 5.089061 6.149935 4.940568 6.820965 6.488350 5.990046 5.546643 5.569067 7.511294 8.036751 8.440165 2.432185 1.753797 0.000000 3.775540 2.724161 5.408659 3.792753 2.107151 2.452189 3.496383 3.415094 4.534106 1.087815 4.208228 2.613299 4.629425 2.135238 4.950698 4.918437 3.329509 4.223705 3.451000 2.552862 4.291577 3.975270 3.927102 4.897647 4.612147 3.509854 4.882005 5.417617 0.000000 2.743051 3.336094 4.398958 4.057081 2.093704 3.675679 5.180131 2.679865 4.091579 1.092265 3.223739 3.131242 4.477337 2.103497 3.972946 4.395478 2.758208 3.873571 4.678870 4.126899 4.100455 4.305865 5.451967 4.995722 5.161183 2.390201 4.688003 4.695011 1.755447 0.000000 5.804754 4.248874 4.934697 4.701091 4.039372 5.423878 6.699408 3.490976 2.163937 4.917841 4.707730 4.541061 1.093469 4.533233 7.091910 7.874818 4.933767 8.287670 6.663903 5.509124 4.914537 4.492880 7.323882 9.304737 9.375749 3.736165 2.510119 2.483342 5.672763 5.568187 0.000000 5.106425 3.104883 4.701648 4.806295 3.333037 5.183619 6.492429 2.796147 2.181923 3.766872 4.201732 4.301616 1.094499 3.100312 6.503653 7.364476 3.239179 7.544149 6.543261 5.215272 3.325559 3.228808 7.200594 8.666235 8.766030 2.556126 3.084744 2.536179 4.661478 4.292561 1.769445 0.000000 5.078887 2.730885 4.923472 3.784934 2.753311 3.889037 5.031231 2.850482 2.182270 3.484629 4.292674 3.253295 1.092091 3.167527 6.462327 7.004345 3.934262 7.158680 5.204195 3.813096 4.037646 3.353135 5.751126 8.051127 7.959334 3.179723 2.524999 3.079649 4.076154 4.336048 1.765539 1.766157 0.000000 2.088949 7.472508 2.362871 3.999126 4.535357 5.632955 7.792207 3.995288 4.914058 5.298723 2.496370 4.514945 6.358715 6.490327 1.089377 2.171399 7.061967 3.504571 5.923736 6.912780 8.341194 8.504628 7.261555 4.691240 5.716598 4.470057 4.849864 4.909185 5.764281 4.808751 7.068055 6.695033 6.673841 0.000000 2.056235 7.259215 3.347168 4.868597 4.664042 5.920781 7.934477 4.294567 5.564581 4.921427 3.030255 4.962319 6.825620 6.080245 1.092715 2.179304 6.471979 2.812391 6.277292 7.065915 7.864793 8.221708 7.502542 4.212697 5.318027 4.404426 5.787965 5.609025 5.353687 4.128662 7.693711 6.914667 7.094298 1.778566 0.000000 2.651776 7.061992 3.967933 3.129093 4.165861 4.146392 6.053307 4.447933 5.464437 4.851043 3.484221 3.562843 6.681418 6.295090 2.136748 1.094839 7.233103 2.171359 3.945904 5.492203 8.462039 8.319184 5.236165 2.764569 3.558602 5.158990 5.166920 5.925487 4.843537 4.624185 7.473918 7.178257 6.591302 2.476280 3.065885 0.000000 3.344629 8.318495 4.664841 4.807323 5.501562 5.757237 7.581981 5.583907 6.722827 5.943597 4.368230 5.162075 8.015390 7.361430 2.123379 1.095958 8.103959 2.171669 5.536767 7.048713 9.446436 9.504603 6.744410 2.776098 4.004777 6.076710 6.563248 6.996118 5.982509 5.425732 8.836719 8.375085 8.045899 2.463780 2.515887 1.762180 0.000000 4.875368 3.272865 5.740129 6.205488 3.971754 5.870311 6.991915 3.930690 4.809673 3.008599 4.844440 5.292498 4.591017 2.175781 6.117968 6.905082 1.079298 6.460382 7.085531 5.872844 2.261228 3.282659 7.652851 7.642720 7.798080 2.975229 5.780452 5.102858 3.795829 2.744960 5.532227 3.791277 4.711589 6.788836 6.007431 7.215353 7.868237 0.000000 3.300113 7.243433 5.385700 5.341416 5.042022 5.452789 6.986280 5.419865 6.870683 4.827535 4.631696 5.103362 7.867597 6.151826 2.778415 2.153359 6.750095 1.098518 5.447508 6.455587 8.137243 8.339409 6.414463 2.133608 3.202450 5.563877 7.030931 7.268580 4.730978 4.084617 8.864355 7.962462 7.788040 3.776801 2.591044 3.064392 2.492933 6.418395 0.000000 2.578205 5.724225 4.789684 3.907485 3.514666 3.708905 5.284261 4.219958 5.632304 3.353898 3.797018 3.471824 6.485440 4.785813 2.786894 2.168980 5.631565 1.093866 3.830056 4.697039 6.929686 6.923000 4.810607 2.135533 2.636172 4.513952 5.745167 6.231742 3.133476 2.888567 7.492131 6.667325 6.256762 3.791372 3.116015 2.533092 3.074333 5.552115 1.762870 0.000000 4.512815 6.053438 5.775562 2.752714 3.960104 2.157352 3.319159 5.017189 5.713603 4.573868 4.990270 2.758154 6.373697 5.860811 4.893130 3.990461 7.144887 3.926180 1.076316 3.245860 8.033267 7.417881 2.238531 3.711779 3.264331 5.862418 5.233148 6.599585 4.056741 4.986683 7.103357 7.036312 5.794798 5.319820 5.802595 3.145379 4.726940 7.558550 5.008811 3.575843 0.000000 5.452879 2.384382 6.424276 3.914676 2.949943 2.155332 2.135473 4.241214 4.575092 2.916451 5.403201 2.863908 4.122924 3.074611 6.695925 6.605259 4.361947 6.204577 3.251123 1.077855 4.617363 3.598487 3.206119 6.613009 6.051340 4.625126 4.636996 5.644036 2.523395 3.982871 4.874626 4.465282 3.125949 7.257355 7.347670 6.148130 7.665671 5.248887 6.943415 5.203039 4.225790 0.000000 7.215364 3.275835 7.697073 7.706149 5.539934 7.079337 7.630272 5.602303 5.851890 4.741742 6.895724 6.736828 4.898239 3.290364 8.585602 9.317854 2.260656 8.883749 8.396837 6.599264 1.079126 2.178040 8.655744 9.923597 9.836373 4.808458 6.799850 6.185017 5.332957 5.016080 5.503257 3.935580 4.878934 9.156837 8.622062 9.434543 10.345847 2.749201 8.985002 7.876792 9.108090 5.651802 0.000000 7.410452 2.079622 7.915095 6.799614 5.010289 5.761576 5.767083 5.535663 5.496419 4.498079 7.036412 5.798892 4.232351 3.199925 8.854193 9.284881 3.305444 8.871153 7.021109 4.901564 2.243261 1.078118 6.992756 9.641746 9.270285 5.225041 6.117819 6.191158 4.752683 5.295671 4.711026 3.760312 3.661938 9.388381 9.203649 9.100499 10.377873 4.338101 9.280376 7.793806 7.914483 3.832004 2.744761 0.000000 6.881716 6.433679 8.254022 5.002600 5.590573 3.247415 2.158526 6.943763 7.514124 5.752105 7.339156 4.583468 7.680688 6.680145 7.442487 6.498854 8.009150 5.976765 2.197235 3.176609 8.579957 7.691099 1.079014 5.392084 4.320488 7.641160 7.108928 8.545762 4.877196 6.402434 8.354397 8.274312 6.800066 7.996504 8.234605 5.801203 7.214188 8.640306 6.936033 5.463013 2.758906 4.192260 9.632009 7.912594 0.000000 4.978371 8.656151 6.828064 5.849973 6.347865 5.809186 6.983663 6.980900 8.242070 6.385376 6.184328 5.854006 9.262863 7.832131 4.265382 2.839953 8.706625 2.206632 5.173597 6.862736 9.991534 9.911010 5.990382 1.090044 2.092712 7.431088 8.086856 8.776306 5.975606 5.973806 10.180488 9.595664 9.004637 4.940972 4.518044 3.140787 2.651073 8.586358 2.563422 3.089756 4.445495 7.658279 10.941612 10.715600 6.143322 0.000000 6.057464 8.150245 8.010975 6.021799 6.430767 5.121385 5.524594 7.487191 8.656626 6.292838 7.147837 5.757909 9.365556 7.633974 5.866118 4.479117 8.686668 3.504108 4.182139 5.823199 9.772158 9.436692 4.475796 2.115237 1.085803 7.984312 8.452971 9.426749 5.526257 6.206274 10.281077 9.739919 8.836238 6.620559 6.289151 4.362857 4.720095 8.815599 4.116901 3.719403 3.749120 6.740010 10.773030 10.076998 4.327730 2.433881 0.000000 4.804297 6.314980 6.839711 4.781530 4.758280 3.596491 4.185095 5.922522 7.125999 4.485525 5.828400 4.247215 7.707338 5.794434 5.012137 3.916946 6.867357 2.780340 3.012898 4.243243 7.927466 7.593364 3.424045 2.115515 1.086687 6.350505 7.046515 7.946782 3.680959 4.479097 8.665802 8.010222 7.156987 5.875766 5.467342 3.802620 4.560633 7.058287 3.509672 2.445773 2.908105 5.058530 8.934907 8.256975 3.684261 3.073396 1.849462 0.000000 C18H23N3O4 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2666664 0.1854692 0.1447228 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= 1182 RedAO= T EigKep= 1.54D-06 NBF= 1182 NBsUse= 1181 1.00D-06 EigRej= 5.60D-07 NBFU= 1181 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= 1321 1321 1321 1321 1321 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29758989402 -1165.37034099043 -0.072751096412 -1165.37036912327 -0.000028132840 -1165.37065904062 -0.000289917343 -1165.37069801889 -0.000038978274 -1165.37070370924 -0.000005690355 -1165.37070404972 -0.000000340475 -1165.37070408534 -0.000000035621 -1165.37070408770 -0.000000002363 -1165.37070408792 -0.000000000213 -1165.37070408803 -0.000000000113 -1165.37070409 11 1.160091580557e+03 -7.412599846308e+03 2.738983799509e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4950923584 LenY= 4949148028 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. PT55056.900S Tue Jan 11 20:56:08 2022 GINC-BELVIS7 PAULAPLA 11-Jan-2022 0 Single Point pefurazoate CONF151 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.3707041 RMSD=2.783e-09 Dipole=-1.6043281,-1.47954,1.5542342 Quadrupole=13.7415786,1.5637783,-15.3053569,-13.2355303,-5.8299488,-8.0849572 PG=C01 [X(C18H23N3O4)] 0 -0.0678506394 -2.3068104327 -0.8581374592 0 -2.1772771642 2.2308052002 1.3153617401 0 -0.9761413124 -2.2135130226 -2.9249696534 0 1.1316881507 0.2944770483 -1.8915666442 0 -0.5558263521 0.2596713339 -0.3653100258 0 1.4693845573 1.4244035126 0.0697993769 0 2.1463051252 3.1234501052 1.3286630604 0 -1.4262555816 -0.4343789222 -1.3345709558 0 -1.9022195238 0.4608723974 -2.4849469707 0 -0.9403298153 0.1375238209 1.0600606728 0 -0.789194143 -1.7397830245 -1.8252644839 0 0.6754419205 0.615050455 -0.8021857862 0 -2.6514993002 1.700634963 -1.9958634423 0 -2.1988301523 0.8613111415 1.3789241222 0 0.7380770841 -3.4892869115 -1.1418803806 0 2.1367352194 -3.2359255332 -0.609806917 0 -3.4484665895 0.4381942806 1.7104233603 0 2.1752239325 -2.975262563 0.905428828 0 2.8534636481 1.3313516857 0.1495744949 0 1.1030896597 2.5407635175 0.7930449963 0 -4.2551591134 1.6160413767 1.8630801703 0 -3.4386972405 2.670412155 1.6078232294 0 3.2444283262 2.3695938844 0.9405522707 0 3.5683904932 -2.7267315274 1.4070542678 0 3.9693988789 -1.6208659256 2.033289391 0 -2.3096341335 -0.7443045861 -0.7681541904 0 -1.048138954 0.7470829868 -3.1017639636 0 -2.5559996012 -0.1484757794 -3.1133230789 0 -0.1193826219 0.4842876331 1.6838726993 0 -1.0883210666 -0.9223453404 1.2787347987 0 -3.0225342536 2.2762132427 -2.8483399605 0 -3.5095396109 1.4302736654 -1.3724854268 0 -2.0056217986 2.355656357 -1.4072614222 0 0.7419552451 -3.6723880783 -2.2157524605 0 0.2499634847 -4.3262199419 -0.6365930894 0 2.5670079683 -2.384444224 -1.1469456341 0 2.7473406251 -4.1126961098 -0.853853052 0 -3.7573972431 -0.5894167711 1.8264517345 0 1.7552440238 -3.8513018049 1.4181799397 0 1.5360698916 -2.1224824995 1.1519879948 0 3.3941490733 0.5418513685 -0.3431775985 0 0.0774747495 2.8638103089 0.8673907645 0 -5.301149141 1.6659264955 2.1237116906 0 -3.5816614371 3.7389295585 1.5948121235 0 4.2443254966 2.6207676563 1.2589672895 0 4.2897203437 -3.5222627945 1.2199461778 0 4.9949040164 -1.494807962 2.3670817484 0 3.2859331145 -0.8003094112 2.2344121514