Gaussian 16 GINC-DEPAZ22 PAULAPLA Optimization pefurazoate CONF539 octanol EM64L-G16RevC.01 12-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-3048835/Gau-15774.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3048835/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF539/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 CONF539 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 1.3163 1.4371 1.3505 1.3458 1.2056 1.2116 1.4591 1.4665 1.3523 1.4158 1.3776 1.3677 1.2972 1.3719 1.5306 1.53 1.093 1.5207 1.0915 1.0905 1.4816 1.0882 1.0919 1.09 1.092 1.0911 1.356 1.5143 1.0906 1.0896 1.531 1.0922 1.0941 1.4267 1.0784 1.4951 1.0928 1.0939 1.3565 1.0765 1.0784 1.3532 1.0778 1.0784 1.0785 1.3276 1.0877 1.083 1.0845 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 48 118.664 107.651 116.3704 124.34 116.8307 123.6618 128.7061 106.7753 105.9496 112.4349 110.0099 108.0502 115.6812 105.7858 104.1877 112.1315 111.6491 107.558 110.3429 108.8512 106.0456 112.0784 108.3421 110.6725 110.1755 109.0029 106.4136 124.6173 112.6241 122.6331 124.6589 118.6844 116.6546 110.193 111.5248 112.9712 107.2305 106.9235 107.7236 117.4228 109.7825 132.7785 111.7997 110.2452 104.5004 111.0594 111.1465 107.8323 114.0286 110.1346 106.8229 109.6645 109.7528 106.1054 106.3358 126.3936 127.2685 112.4294 110.3788 107.9431 110.2397 109.2405 106.3945 105.3342 122.5046 132.1452 111.4126 122.3955 126.1555 105.7996 127.5486 126.6515 110.4206 116.7413 132.8328 110.501 121.7733 127.7257 125.1852 115.8922 118.9104 121.5721 121.8717 116.5561 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 -0.4882 -176.4953 85.6847 -38.3719 -153.9996 177.6779 -1.0418 0.9928 -179.7314 -55.2196 75.2713 -171.5858 106.369 -123.14 -9.9971 -60.0597 178.1651 61.852 136.933 15.1578 -101.1552 -153.3642 27.1615 8.1475 -171.3268 35.278 -145.2149 -132.6831 46.824 -171.84 9.4511 -1.6278 179.6633 170.7494 -7.182 1.1959 -176.7354 -0.2355 177.6011 -0.8476 179.2132 -55.5345 68.8815 -175.174 176.9252 -58.6588 57.2857 62.1811 -173.4029 -57.4583 -142.9705 40.9314 -14.2308 169.6711 101.4225 -74.6756 -174.5193 -55.5501 65.9578 60.3428 179.312 -59.1801 -55.6389 63.3302 -175.1619 -73.2998 105.0588 47.4196 -134.2218 163.8388 -17.8026 0.6914 -179.8021 -177.7603 1.7462 57.897 -65.8741 179.3212 -178.5043 57.7245 -57.0801 -58.4526 177.7762 62.9716 62.0801 -61.4644 -177.363 -173.8954 62.56 -53.3386 -57.7069 178.7486 62.85 -0.0831 179.6978 -179.5839 0.1969 -114.8394 63.8694 8.7827 -172.5085 125.3541 -55.937 1.551 -178.5143 -179.9175 0.0171 -0.5585 -179.6766 179.6581 0.54 179.2833 -0.7092 0.6103 -179.3823 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2350.5040244146 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= 1.07D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Berny optimization. local minimum Step number 14 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00224 0.00350 0.00435 0.00480 0.00532 0.00638 0.00824 0.00948 0.01148 0.01552 0.01686 0.01721 0.01752 0.01860 0.02072 0.02264 0.02273 0.02321 0.02379 0.02450 0.02494 0.02535 0.02620 0.02635 0.02788 0.03049 0.03051 0.03143 0.03521 0.03531 0.04089 0.04143 0.04389 0.04541 0.04891 0.04923 0.05061 0.05395 0.05475 0.05501 0.05543 0.05684 0.05788 0.06421 0.06825 0.07357 0.08362 0.08594 0.09437 0.10043 0.11713 0.12153 0.12338 0.12913 0.13412 0.13983 0.15427 0.15946 0.15951 0.15992 0.15998 0.15999 0.16000 0.16000 0.16002 0.16011 0.16061 0.16132 0.19608 0.21120 0.21853 0.21966 0.22010 0.22085 0.22406 0.22710 0.22996 0.23510 0.23561 0.23926 0.24296 0.24661 0.25073 0.25529 0.26435 0.27883 0.28789 0.29642 0.29859 0.30712 0.30955 0.31765 0.33065 0.33775 0.34328 0.34370 0.34494 0.34503 0.34558 0.34585 0.34681 0.34718 0.34749 0.34755 0.34803 0.34877 0.34958 0.35046 0.35125 0.35334 0.35466 0.35668 0.36173 0.36186 0.36223 0.36262 0.36338 0.36432 0.36727 0.37758 0.39866 0.42432 0.44159 0.46475 0.47059 0.48232 0.48853 0.50522 0.52400 0.53421 0.55090 0.55255 0.60092 0.60893 0.62111 0.65735 0.98108 1.01462 -3.18822295e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 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 2.51452 2.76323 2.59265 2.57991 2.29234 2.31144 2.78764 2.80611 2.56520 2.70617 2.62404 2.60598 2.47554 2.62108 2.90653 2.90303 2.06188 2.88958 2.06366 2.06278 2.80629 2.05614 2.06189 2.06585 2.06899 2.06662 2.57254 2.87409 2.06026 2.05874 2.91215 2.06559 2.07154 2.71048 2.03855 2.83852 2.06816 2.07165 2.57598 2.03485 2.03846 2.56757 2.03917 2.03739 2.03913 2.51802 2.06014 2.05182 2.05451 2.05618 1.87125 2.04600 2.15954 2.03385 2.16102 2.24517 1.86496 1.84875 1.96371 1.92506 1.87500 2.01778 1.86000 1.80887 1.95705 1.92805 1.86757 1.93412 1.91592 1.85725 1.96367 1.86999 1.92133 1.91948 1.90798 1.87931 2.17225 1.96071 2.14792 2.17991 2.07119 2.03193 1.92459 1.93895 1.95699 1.88169 1.87775 1.88103 2.03843 1.91329 2.33111 1.94289 1.89794 1.80520 1.95003 1.95168 1.91015 1.98393 1.90893 1.86835 1.90964 1.92173 1.86742 1.86207 2.19710 2.22384 1.97239 1.91127 1.88304 1.91998 1.90657 1.86729 1.84162 2.12133 2.32018 1.94148 2.12404 2.21751 1.85281 2.22481 2.20556 1.92524 2.02530 2.33260 1.92757 2.12283 2.23279 2.18453 2.01970 2.07870 2.12386 2.12010 2.03923 0.01437 -3.05614 1.41969 -0.73599 -2.76510 3.10217 -0.01475 0.01415 -3.13600 -0.94972 1.33153 -2.99142 1.86672 -2.13521 -0.17498 -1.01544 -3.12707 1.11730 2.42763 0.31600 -1.72281 -2.67156 0.48928 0.14696 -2.97539 0.64312 -2.51646 -2.30991 0.81369 -3.01422 0.13672 -0.02621 3.12473 2.99806 -0.12569 0.01991 -3.10384 -0.00492 3.11765 -0.01246 3.12916 -0.98393 1.18283 -3.08559 3.06595 -1.05048 0.96429 1.06668 -3.04975 -1.03499 -2.52944 0.68208 -0.27709 2.93443 1.75127 -1.32039 -3.07642 -0.99125 1.11481 1.04339 3.12856 -1.04857 -1.00306 1.08212 -3.09501 -1.32146 1.78806 0.76158 -2.41208 2.82146 -0.35221 0.00976 3.13220 -3.10144 0.02101 0.96214 -1.17774 3.08804 3.08785 0.94797 -1.06944 -1.04745 3.09585 1.07844 1.09878 -1.04815 -3.07463 -3.04492 1.09134 -0.93514 -0.99719 3.13906 1.11258 -0.00104 3.13591 -3.12311 0.01385 -2.00916 1.10767 0.13293 -3.03343 2.17766 -0.98869 0.02422 -3.11740 -3.12826 0.01331 -0.00812 -3.13909 3.13805 0.00708 3.13112 -0.01403 0.01506 -3.13009 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -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 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 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 0.00001 -0.00002 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00003 -0.00001 -0.00001 -0.00000 -0.00002 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00003 -0.00000 -0.00001 -0.00002 0.00002 -0.00001 0.00001 -0.00003 -0.00002 -0.00002 0.00000 0.00004 0.00002 -0.00001 -0.00003 0.00002 -0.00000 0.00002 0.00000 -0.00000 0.00002 -0.00004 0.00004 -0.00002 0.00000 -0.00001 0.00004 -0.00003 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00005 0.00000 -0.00005 -0.00003 0.00003 0.00002 -0.00002 0.00001 -0.00000 0.00001 -0.00003 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 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00014 -0.00009 0.00015 0.00017 0.00015 0.00010 -0.00003 0.00000 0.00003 0.00012 0.00008 0.00009 -0.00005 -0.00009 -0.00008 -0.00005 -0.00011 -0.00010 0.00010 0.00004 0.00005 0.00009 0.00002 -0.00007 -0.00014 -0.00001 0.00006 0.00006 0.00012 -0.00007 0.00003 -0.00012 -0.00002 0.00005 -0.00005 0.00011 0.00000 -0.00005 0.00006 -0.00003 -0.00001 0.00009 0.00006 0.00006 0.00015 0.00011 0.00011 0.00009 0.00005 0.00005 0.00004 0.00009 -0.00001 0.00004 0.00006 0.00011 -0.00001 -0.00000 -0.00001 0.00004 0.00005 0.00004 0.00002 0.00003 0.00002 -0.00002 0.00015 0.00003 0.00020 0.00004 0.00021 0.00004 0.00002 -0.00012 -0.00014 0.00022 0.00022 0.00023 0.00021 0.00022 0.00023 0.00021 0.00021 0.00022 -0.00003 -0.00004 -0.00004 -0.00005 -0.00006 -0.00006 -0.00005 -0.00006 -0.00006 -0.00004 -0.00003 -0.00002 -0.00000 0.00002 0.00002 0.00003 0.00003 0.00003 0.00003 0.00010 0.00007 -0.00002 -0.00005 0.00003 -0.00001 0.00001 -0.00003 -0.00002 0.00000 -0.00002 0.00001 0.00002 0.00003 0.00001 0.00002 0.00000 -0.00000 0.00005 0.00004 0.00001 0.00002 0.00000 0.00002 -0.00000 0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00002 0.00000 -0.00000 0.00001 -0.00000 0.00002 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00003 -0.00003 -0.00001 0.00004 -0.00008 0.00003 -0.00001 0.00005 -0.00001 -0.00002 0.00002 -0.00005 -0.00000 -0.00002 0.00006 -0.00002 -0.00002 0.00002 -0.00001 0.00000 -0.00004 0.00005 -0.00008 0.00004 0.00001 0.00000 -0.00005 0.00004 0.00004 -0.00001 -0.00002 0.00000 0.00001 -0.00003 0.00000 -0.00000 0.00002 -0.00006 0.00000 0.00006 0.00004 -0.00005 -0.00001 0.00003 -0.00001 -0.00000 -0.00000 0.00001 0.00002 -0.00003 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00002 -0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00000 0.00003 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00002 0.00003 0.00003 -0.00003 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00005 0.00007 0.00004 0.00007 0.00002 0.00005 -0.00002 -0.00001 -0.00019 -0.00013 -0.00015 -0.00024 -0.00018 -0.00019 0.00003 0.00015 0.00013 0.00008 0.00020 0.00017 0.00000 0.00004 -0.00004 0.00001 -0.00005 -0.00009 0.00003 -0.00001 0.00020 0.00011 0.00012 0.00003 -0.00018 -0.00013 -0.00011 -0.00006 0.00006 -0.00000 0.00002 0.00002 0.00015 0.00015 0.00016 0.00010 0.00010 0.00011 0.00012 0.00013 0.00013 0.00003 0.00007 0.00011 0.00015 0.00006 0.00009 0.00000 0.00001 0.00002 -0.00005 -0.00004 -0.00003 -0.00003 -0.00002 -0.00001 0.00019 0.00015 0.00008 0.00005 0.00008 0.00005 -0.00006 -0.00011 -0.00002 -0.00008 -0.00011 -0.00009 -0.00009 -0.00013 -0.00010 -0.00011 -0.00011 -0.00009 -0.00009 0.00007 0.00007 0.00008 0.00007 0.00007 0.00008 0.00005 0.00004 0.00005 0.00005 0.00002 0.00010 0.00008 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00009 -0.00009 0.00001 0.00001 -0.00002 -0.00003 0.00000 -0.00001 0.00003 -0.00001 0.00002 -0.00002 0.00003 0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00004 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 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 -0.00000 0.00000 0.00000 -0.00003 -0.00002 0.00003 -0.00006 0.00001 -0.00000 0.00002 -0.00003 -0.00003 0.00002 -0.00000 0.00002 -0.00003 0.00003 -0.00000 -0.00003 0.00004 -0.00001 0.00000 -0.00002 0.00002 -0.00004 0.00003 0.00002 -0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00005 0.00000 0.00000 0.00002 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00003 -0.00002 0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00002 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00002 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00003 0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00013 -0.00004 0.00022 0.00021 0.00022 0.00012 0.00002 -0.00002 0.00002 -0.00008 -0.00006 -0.00006 -0.00028 -0.00026 -0.00027 -0.00002 0.00005 0.00003 0.00018 0.00024 0.00022 0.00009 0.00007 -0.00011 -0.00014 -0.00006 -0.00003 0.00009 0.00012 0.00013 0.00014 -0.00000 0.00001 -0.00013 -0.00018 -0.00000 -0.00005 0.00001 0.00006 -0.00001 0.00002 0.00024 0.00021 0.00022 0.00025 0.00021 0.00022 0.00021 0.00018 0.00018 0.00007 0.00016 0.00009 0.00018 0.00011 0.00020 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00002 0.00017 0.00030 0.00011 0.00025 0.00012 0.00026 -0.00001 -0.00009 -0.00014 -0.00022 0.00010 0.00013 0.00013 0.00009 0.00012 0.00012 0.00009 0.00012 0.00013 0.00004 0.00003 0.00004 0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00008 0.00007 0.00002 0.00003 0.00002 0.00003 0.00002 0.00003 0.00001 -0.00002 -0.00001 -0.00004 0.00001 -0.00004 0.00002 -0.00003 0.00001 -0.00001 0.00000 -0.00002 2.51455 2.76324 2.59266 2.57993 2.29233 2.31143 2.78768 2.80612 2.56521 2.70618 2.62404 2.60598 2.47553 2.62110 2.90651 2.90303 2.06187 2.88958 2.06367 2.06278 2.80628 2.05614 2.06188 2.06585 2.06899 2.06663 2.57253 2.87410 2.06025 2.05874 2.91215 2.06560 2.07154 2.71048 2.03855 2.83852 2.06816 2.07165 2.57598 2.03485 2.03846 2.56757 2.03917 2.03739 2.03912 2.51802 2.06014 2.05182 2.05451 2.05618 1.87125 2.04600 2.15951 2.03382 2.16104 2.24511 1.86497 1.84875 1.96373 1.92504 1.87496 2.01780 1.86000 1.80889 1.95702 1.92808 1.86757 1.93409 1.91596 1.85724 1.96367 1.86997 1.92135 1.91943 1.90801 1.87933 2.17224 1.96070 2.14794 2.17994 2.07118 2.03192 1.92460 1.93896 1.95694 1.88170 1.87775 1.88105 2.03842 1.91329 2.33112 1.94290 1.89792 1.80520 1.95005 1.95168 1.91015 1.98393 1.90892 1.86838 1.90962 1.92174 1.86741 1.86207 2.19708 2.22385 1.97241 1.91126 1.88304 1.91998 1.90657 1.86730 1.84161 2.12133 2.32020 1.94148 2.12405 2.21750 1.85281 2.22481 2.20555 1.92523 2.02529 2.33262 1.92757 2.12281 2.23280 2.18452 2.01971 2.07870 2.12386 2.12009 2.03923 0.01424 -3.05618 1.41990 -0.73578 -2.76488 3.10229 -0.01473 0.01413 -3.13598 -0.94980 1.33148 -2.99148 1.86644 -2.13547 -0.17524 -1.01546 -3.12703 1.11733 2.42781 0.31624 -1.72259 -2.67147 0.48934 0.14684 -2.97553 0.64307 -2.51649 -2.30982 0.81381 -3.01409 0.13687 -0.02621 3.12475 2.99793 -0.12587 0.01990 -3.10389 -0.00491 3.11771 -0.01247 3.12917 -0.98368 1.18304 -3.08537 3.06620 -1.05027 0.96451 1.06689 -3.04957 -1.03480 -2.52937 0.68224 -0.27700 2.93461 1.75139 -1.32019 -3.07643 -0.99124 1.11482 1.04338 3.12858 -1.04855 -1.00306 1.08213 -3.09500 -1.32129 1.78836 0.76170 -2.41184 2.82158 -0.35195 0.00974 3.13211 -3.10158 0.02079 0.96224 -1.17761 3.08817 3.08793 0.94809 -1.06932 -1.04736 3.09598 1.07857 1.09882 -1.04812 -3.07459 -3.04490 1.09134 -0.93513 -0.99720 3.13905 1.11258 -0.00104 3.13590 -3.12302 0.01392 -2.00914 1.10770 0.13295 -3.03339 2.17769 -0.98866 0.02423 -3.11742 -3.12827 0.01326 -0.00811 -3.13913 3.13806 0.00704 3.13113 -0.01403 0.01506 -3.13010 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.001350 0.000350 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.539146e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 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 1.3306 1.4622 1.372 1.3652 1.2131 1.2232 1.4752 1.4849 1.3574 1.432 1.3886 1.379 1.31 1.387 1.5381 1.5362 1.0911 1.5291 1.092 1.0916 1.485 1.0881 1.0911 1.0932 1.0949 1.0936 1.3613 1.5209 1.0902 1.0894 1.541 1.0931 1.0962 1.4343 1.0788 1.5021 1.0944 1.0963 1.3631 1.0768 1.0787 1.3587 1.0791 1.0781 1.0791 1.3325 1.0902 1.0858 1.0872 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 48 117.8106 107.2147 117.227 123.7327 116.5308 123.8171 128.6388 106.8543 105.9257 112.5123 110.298 107.4293 115.6101 106.5703 103.6408 112.1307 110.4692 107.0037 110.8167 109.7742 106.4127 112.5098 107.1424 110.0844 109.9779 109.3193 107.6767 124.4608 112.3404 123.067 124.8999 118.6703 116.421 110.2708 111.0934 112.1272 107.8131 107.587 107.775 116.7936 109.6232 133.5629 111.3196 108.7439 103.4304 111.7288 111.8229 109.4435 113.6707 109.3735 107.0486 109.4145 110.1069 106.9953 106.6889 125.8843 127.4166 113.0098 109.5076 107.8902 110.0066 109.2386 106.9881 105.5172 121.5435 132.9366 111.2387 121.6984 127.0538 106.1579 127.472 126.3695 110.3082 116.0414 133.6479 110.4414 121.6291 127.9294 125.1644 115.7202 119.1005 121.688 121.4727 116.839 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0.8233 -175.1041 81.3421 -42.1693 -158.4286 177.7413 -0.8449 0.8108 -179.6794 -54.4151 76.2911 -171.3958 106.9554 -122.3385 -10.0254 -58.1804 -179.168 64.0165 139.0932 18.1055 -98.71 -153.0691 28.0334 8.4199 -170.4776 36.8482 -144.1823 -132.3483 46.6211 -172.7021 7.8337 -1.5018 179.034 171.7759 -7.2017 1.1406 -177.8369 -0.2819 178.628 -0.7139 179.2874 -56.3749 67.771 -176.7913 175.6659 -60.1881 55.2496 61.116 -174.738 -59.3003 -144.9264 39.0803 -15.8761 168.1306 100.3405 -75.6527 -176.2661 -56.7943 63.8737 59.7817 179.2535 -60.0784 -57.4709 62.0009 -177.3311 -75.714 102.4481 43.6356 -138.2023 161.6577 -20.1802 0.559 179.462 -177.6994 1.2037 55.1266 -67.4795 176.9316 176.9206 54.3145 -61.2744 -60.0147 177.3792 61.7903 62.9555 -60.0546 -176.1632 -174.461 62.5289 -53.5797 -57.135 179.8549 63.7463 -0.0598 179.6743 -178.9408 0.7933 -115.1166 63.4647 7.6161 -173.8026 124.771 -56.6477 1.3876 -178.6139 -179.2362 0.7624 -0.4653 -179.8566 179.7968 0.4054 179.3999 -0.8037 0.8627 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0588567960 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 4.075630 0.000000 2.233617 2.932998 0.000000 5.788095 4.322347 4.740638 0.000000 3.527712 3.065150 2.825985 2.271569 0.000000 4.982729 4.864502 3.829590 2.262546 2.356034 0.000000 5.764148 6.257094 4.432282 4.356141 4.244708 2.201957 0.000000 2.371246 3.731572 2.404901 3.577108 1.459087 2.870319 4.260096 0.000000 2.723594 4.649562 3.711364 4.333380 2.485240 3.986629 5.468189 1.530638 0.000000 3.959164 2.421134 3.495268 2.725955 1.466455 3.688635 5.644732 2.486001 2.977916 0.000000 1.316285 3.281596 1.205584 4.644911 2.448974 3.807204 4.697729 1.529966 2.591017 3.125752 0.000000 4.717192 3.919489 3.695524 1.211581 1.352269 1.415801 3.570315 2.486685 3.465932 2.401924 3.550484 0.000000 4.222875 5.603299 4.928635 4.035935 2.954743 3.943121 5.603522 2.531625 1.520686 3.464653 3.926616 3.436932 0.000000 3.503562 1.350468 3.053883 4.014611 2.445188 4.663052 6.315115 2.989805 3.559050 1.481598 2.872228 3.563448 4.489637 0.000000 1.437098 4.549694 2.703917 6.981167 4.751445 6.106758 6.588615 3.724128 4.147627 5.070918 2.369089 5.915400 5.652510 4.281874 0.000000 2.444306 5.708682 3.290157 7.728076 5.592789 6.442664 6.422586 4.443486 4.973355 6.204251 3.160333 6.574696 6.378989 5.571110 1.514291 0.000000 3.267274 2.214037 3.526940 5.279978 3.502073 5.777672 7.313714 3.580442 3.778628 2.600517 3.162672 4.755619 4.910356 1.355971 3.805455 5.263241 0.000000 2.981403 6.823504 4.315833 8.235622 6.122711 6.803446 6.704608 4.769410 4.960637 6.853836 3.860397 7.050802 6.217430 6.453642 2.554393 1.530961 6.127168 0.000000 6.175132 6.187719 5.152298 2.842062 3.579586 1.377587 2.241777 4.021658 4.884431 4.833937 5.078712 2.462600 4.470343 5.948991 7.330156 7.541994 7.068712 7.731059 0.000000 4.744396 4.987526 3.312311 3.456046 3.019213 1.367684 1.297172 3.142577 4.482408 4.396894 3.573535 2.509337 4.784974 5.018721 5.637609 5.715140 6.033696 6.155527 2.203606 0.000000 3.759288 2.216551 3.682756 6.190945 4.471014 6.555856 7.840339 4.540246 4.985662 3.697199 3.704621 5.650180 6.221793 2.227620 3.783563 5.191463 1.426673 6.314470 7.908430 6.579531 0.000000 4.187522 1.345808 3.319876 5.659247 4.211842 6.030160 7.213731 4.561836 5.365383 3.564062 3.729641 5.183832 6.512197 2.176498 4.250855 5.466842 2.217602 6.723313 7.386048 5.972512 1.353179 0.000000 6.542747 6.891264 5.405763 4.062631 4.497724 2.173959 1.371883 4.683741 5.666420 5.859456 5.481467 3.536622 5.426323 6.797538 7.545019 7.492062 7.868219 7.637494 1.356474 2.131370 8.570240 7.986999 0.000000 3.612348 7.523051 5.376646 9.185012 6.990413 7.963755 8.079418 5.618857 5.463124 7.509842 4.768849 8.045033 6.720138 7.015405 3.069248 2.515084 6.423623 1.495055 8.907085 7.460376 6.612322 7.277981 8.931827 0.000000 3.838722 7.785049 5.900160 9.194339 7.024478 8.150886 8.521049 5.637592 5.121442 7.440804 5.065475 8.113380 6.251172 7.064437 3.665557 3.543934 6.395077 2.507034 9.041063 7.856117 6.801045 7.620944 9.210685 1.327623 0.000000 2.901486 4.582137 2.752770 3.741219 2.076541 2.384134 3.414558 1.093049 2.109003 3.392044 2.086941 2.568623 2.733490 4.003742 4.163320 4.526566 4.646521 4.666849 3.365859 2.487378 5.517360 5.432871 3.833321 5.687409 5.780481 0.000000 2.782126 4.345222 3.968893 4.717940 2.839567 4.770589 6.374894 2.183364 1.091544 2.775813 2.866421 3.996029 2.158250 3.104302 4.087558 5.174634 3.039349 5.290028 5.754749 5.291403 4.339685 4.924917 6.612038 5.576147 5.144422 3.038376 0.000000 2.517542 5.391970 3.972565 5.293384 3.396094 4.592739 5.719753 2.130517 1.090494 3.995208 2.792188 4.333281 2.138527 4.371021 3.840521 4.460242 4.380209 4.166450 5.416201 4.866575 5.460810 5.942669 6.005272 4.583391 4.171980 2.379768 1.743176 0.000000 4.989657 2.639733 4.212496 2.281194 2.083049 3.828833 5.859354 3.392921 3.952986 1.088220 4.053726 2.443307 4.172695 2.119319 6.042926 7.147590 3.341916 7.859521 4.852371 4.661699 4.267022 3.898324 5.953751 8.568475 8.526080 4.152731 3.794587 5.001710 0.000000 4.192606 3.305618 4.261399 3.224607 2.114997 4.282655 6.314871 2.782542 2.670123 1.091879 3.627075 3.006573 2.939966 2.107332 5.394921 6.587732 2.776091 7.059386 5.281604 5.122690 4.099068 4.276448 6.392608 7.547842 7.286153 3.710535 2.254290 3.720572 1.745830 0.000000 4.780423 6.429832 5.819006 5.008518 3.982972 5.007612 6.594239 3.473237 2.155230 4.290539 4.732896 4.502231 1.090034 5.221283 6.158873 6.896249 5.435199 6.565561 5.432372 5.834241 6.789629 7.245880 6.365244 6.856919 6.188410 3.691097 2.497991 2.445242 5.001532 3.569076 0.000000 4.608252 6.157801 5.109197 4.055777 3.242717 3.515648 4.939220 2.766342 2.173354 4.102692 4.201232 3.393896 1.091988 5.187228 6.019152 6.516178 5.733497 6.248117 3.790157 4.326962 6.965985 7.125114 4.637992 6.902752 6.520220 2.520573 3.074455 2.515061 4.722915 3.782433 1.756641 0.000000 4.801819 5.324228 5.177543 3.328135 2.724953 3.820184 5.760338 2.867958 2.190442 2.975529 4.311709 3.024539 1.091090 4.221940 6.225492 7.075091 4.819031 7.086397 4.322397 4.879437 6.167003 6.355483 5.466491 7.623246 7.190844 3.213446 2.532438 3.070011 3.464223 2.371463 1.752446 1.763048 0.000000 2.083090 3.915092 2.466318 6.913911 4.776437 6.203607 6.718889 4.034749 4.683378 4.943176 2.551497 5.922744 6.179262 3.928778 1.090573 2.160850 3.477925 3.497845 7.504755 5.699723 3.102218 3.413149 7.737301 4.047281 4.698430 4.572751 4.531603 4.594148 5.809354 5.419101 6.777951 6.588349 6.597410 0.000000 2.009126 5.096117 3.683902 7.668056 5.404116 6.957491 7.572543 4.356715 4.436967 5.529176 3.180963 6.650530 5.938383 4.673790 1.089589 2.161189 3.903068 2.811718 8.166616 6.604424 3.892883 4.659711 8.459754 2.751342 3.132922 4.892910 4.176696 4.043491 6.539258 5.678797 6.274883 6.424395 6.542456 1.761911 0.000000 2.754805 5.535221 2.837671 7.297012 5.313295 5.836321 5.569880 4.275227 5.096004 6.094101 3.007229 6.131695 6.417282 5.562152 2.150504 1.092215 5.508653 2.159205 6.904591 4.946771 5.422433 5.430708 6.728189 3.448172 4.466992 4.194071 5.450104 4.697166 6.950251 6.618826 7.069402 6.424834 7.054671 2.486148 3.062764 0.000000 3.356109 6.245351 4.049379 8.657732 6.528884 7.417304 7.308530 5.456769 5.985599 7.034888 4.086313 7.528195 7.423046 6.238222 2.109317 1.094131 5.809655 2.161756 8.539730 6.625622 5.496568 5.788845 8.443405 2.748874 3.930033 5.588634 6.086922 5.481989 7.951460 7.445695 7.914387 7.598302 8.096364 2.432090 2.471543 1.747304 0.000000 3.323520 3.254413 4.171684 5.715703 3.893248 6.212700 7.810508 3.750461 3.502226 3.010218 3.524488 5.186535 4.593499 2.176420 3.956854 5.437509 1.078393 6.077115 7.431480 6.561289 2.249805 3.264957 8.279561 6.167272 5.928153 4.822970 2.556336 4.014402 3.845165 2.786245 4.917755 5.523455 4.587472 3.883406 3.812980 5.842790 6.014660 0.000000 2.691129 6.626011 4.083675 7.502398 5.461027 6.030346 6.022152 4.044896 4.146167 6.303482 3.439348 6.318626 5.284489 6.127216 2.828404 2.168663 5.940309 1.092756 6.875843 5.494892 6.356799 6.734457 6.830710 2.135340 2.643713 3.824947 4.629972 3.293027 7.308272 6.447938 5.632399 5.234028 6.199818 3.826414 3.182516 2.515975 3.069697 5.842216 0.000000 3.952724 7.631949 4.953327 8.885415 6.874258 7.254296 6.823086 5.544008 5.843059 7.724657 4.659820 7.679773 7.010180 7.364301 3.470541 2.138300 7.120576 1.093899 8.083659 6.459929 7.239659 7.539462 7.809054 2.123598 3.226160 5.273514 6.275432 5.034918 8.692594 7.990901 7.381774 6.905495 7.898891 4.286476 3.805994 2.420778 2.484524 7.130925 1.750861 0.000000 6.807540 6.656011 5.947555 2.760315 3.947644 2.156513 3.299966 4.521405 5.135174 5.018728 5.756429 2.759433 4.419624 6.297062 8.052855 8.371416 7.428260 8.500188 1.076541 3.231580 8.383873 7.917013 2.226818 9.588100 9.596722 3.984970 5.952871 5.747516 4.922391 5.307608 5.286756 3.749673 4.105104 8.250819 8.816303 7.809748 9.394846 7.711565 7.592721 8.910383 0.000000 4.092111 4.312263 2.381087 3.867361 2.930536 2.148014 2.120441 2.930705 4.413120 4.186539 2.899500 2.840231 5.041727 4.493138 4.812139 4.906927 5.419659 5.554346 3.233710 1.078417 5.791316 5.150298 3.182949 6.869851 7.377525 2.499346 5.095111 4.755382 4.552912 5.013732 6.083917 4.765175 5.186279 4.763290 5.826901 4.105810 5.750147 6.033311 5.041523 5.889241 4.215636 0.000000 4.207223 3.255952 4.423162 7.258609 5.474423 7.549491 8.735199 5.387335 5.707122 4.722188 4.424136 6.688785 7.007994 3.274581 3.920212 5.306977 2.251929 6.438007 8.906958 7.499914 1.077780 2.175754 9.522248 6.542983 6.743743 6.344043 4.995412 6.044599 5.316656 5.020298 7.480554 7.780717 7.032029 3.219035 3.797778 5.688634 5.424740 2.736533 6.633066 7.360771 9.403767 6.662487 0.000000 4.946448 2.068886 3.790576 6.269705 4.998566 6.561660 7.533632 5.387687 6.325499 4.466350 4.447508 5.828856 7.473898 3.175274 4.801123 5.851114 3.287226 7.227488 7.902445 6.358592 2.231214 1.078419 8.394819 7.845410 8.324399 6.158516 5.955431 6.867960 4.662941 5.264556 8.252246 8.017683 7.311046 3.827025 5.272335 5.715044 6.032585 4.317861 7.338053 7.949239 8.495357 5.472471 2.730740 0.000000 7.502565 7.962655 6.422862 4.968394 5.548981 3.228972 2.145557 5.688239 6.578287 6.901280 6.492735 4.553963 6.222649 7.870958 8.482537 8.319571 8.936322 8.362131 2.189410 3.155290 9.644271 9.055443 1.078505 9.668195 9.946953 4.783523 7.560462 6.847552 6.965281 7.390756 7.087774 5.338433 6.286431 8.714434 9.395464 7.532270 9.258774 9.323133 7.540597 8.435587 2.739313 4.168598 10.589492 9.439675 0.000000 4.378768 8.065113 5.997272 10.070656 7.851696 8.857756 8.886803 6.530947 6.449426 8.304311 5.532385 8.931780 7.754451 7.665309 3.529362 2.874717 6.982590 2.199623 9.841313 8.274317 6.977097 7.657841 9.818553 1.087650 2.083683 6.637368 6.485383 5.616398 9.349186 8.385989 7.896737 7.964979 8.626876 4.340275 3.111203 3.835459 2.672219 6.766220 3.084026 2.514598 10.561444 7.603898 6.760000 8.126219 10.554775 0.000000 4.710752 8.501229 6.826963 10.069339 7.892811 9.143742 9.589128 6.545903 5.902018 8.179680 5.983871 9.026968 6.985632 7.741154 4.448429 4.429627 6.933740 3.492195 10.040085 8.898715 7.303173 8.243217 10.255365 2.107390 1.083007 6.764899 5.788509 4.982869 9.267123 7.942511 6.799435 7.333783 7.904576 5.407910 3.719667 5.417945 4.644409 6.364971 3.722691 4.127401 10.553677 8.410651 7.118165 8.953261 10.993500 2.420668 0.000000 3.549464 7.500759 5.653230 8.468497 6.378161 7.466024 7.965337 4.977455 4.289111 6.842307 4.678646 7.416278 5.292805 6.659935 3.794488 3.836031 6.105229 2.778136 8.284540 7.303331 6.724082 7.514289 8.528509 2.111721 1.084542 5.085290 4.395958 3.280898 7.922639 6.605973 5.172380 5.542304 6.270387 4.864167 3.403761 4.620146 4.467137 5.582091 2.464745 3.565197 8.766364 6.943198 6.814856 8.303608 9.252827 3.065040 1.843739 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2751862 0.1723896 0.1360450 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4.179483 0.000000 2.251389 3.017008 0.000000 5.841338 4.390130 4.776885 0.000000 3.568998 3.113191 2.847305 2.288825 0.000000 4.982768 4.939396 3.830733 2.286395 2.371359 0.000000 5.729643 6.346162 4.418767 4.400472 4.272916 2.219606 0.000000 2.384226 3.792132 2.421777 3.602749 1.475154 2.879224 4.272153 0.000000 2.735239 4.686161 3.730007 4.367579 2.505827 4.015329 5.498902 1.538069 0.000000 4.049561 2.434017 3.539717 2.745183 1.484931 3.719559 5.688533 2.526951 3.017497 0.000000 1.330629 3.365296 1.213053 4.679783 2.471502 3.802349 4.676295 1.536219 2.601586 3.184353 0.000000 4.747296 3.983139 3.715578 1.223159 1.357446 1.432042 3.604962 2.498544 3.488438 2.418353 3.566308 0.000000 4.237169 5.650907 4.957865 4.075660 2.983662 3.987761 5.654507 2.544759 1.529101 3.506746 3.944182 3.468904 0.000000 3.601402 1.371972 3.122193 4.057719 2.469567 4.709204 6.374488 3.024741 3.567700 1.485022 2.942906 3.598624 4.503264 0.000000 1.462240 4.680674 2.715158 7.051030 4.809440 6.103975 6.525126 3.754594 4.186961 5.187936 2.392541 5.957613 5.693002 4.418614 0.000000 2.463412 5.784277 3.231876 7.704948 5.582517 6.339799 6.237726 4.429400 5.006201 6.260920 3.136722 6.529819 6.399539 5.659798 1.520903 0.000000 3.364941 2.233830 3.590435 5.321525 3.519717 5.812983 7.357843 3.599338 3.763263 2.616272 3.225056 4.784061 4.899058 1.361328 3.963747 5.396154 0.000000 2.963864 6.872359 4.206512 8.120152 6.041797 6.582233 6.372096 4.681738 4.950495 6.868557 3.779865 6.911774 6.175901 6.514941 2.563184 1.541043 6.254697 0.000000 6.161206 6.278202 5.155989 2.880040 3.601792 1.388581 2.258905 4.024866 4.905209 4.875634 5.069503 2.488429 4.504898 6.004580 7.311108 7.414863 7.109213 7.463557 0.000000 4.726506 5.060147 3.296314 3.487630 3.038542 1.379027 1.309999 3.156169 4.515515 4.428672 3.556104 2.533505 4.837857 5.066265 5.600501 5.569216 6.069871 5.887892 2.222673 0.000000 3.856770 2.235511 3.762576 6.252522 4.504189 6.612305 7.907228 4.573942 4.981623 3.717683 3.775976 5.699203 6.225249 2.243202 3.945553 5.339439 1.434322 6.464539 7.973479 6.635612 0.000000 4.290690 1.365230 3.416268 5.743222 4.266906 6.116077 7.313916 4.622103 5.392157 3.590618 3.816503 5.259107 6.551377 2.203369 4.391938 5.575588 2.233384 6.821822 7.486787 6.056759 1.358701 0.000000 6.512857 6.989006 5.403825 4.106798 4.525841 2.190685 1.387018 4.690430 5.690194 5.906261 5.465341 3.569961 5.466160 6.859769 7.496411 7.325466 7.913500 7.313869 1.363148 2.153380 8.641307 8.095668 0.000000 3.602234 7.655831 5.319038 9.124714 6.957457 7.773287 7.760320 5.550759 5.449142 7.595431 4.722554 7.951338 6.667091 7.154771 3.098634 2.537852 6.635596 1.502080 8.653786 7.223461 6.852738 7.462306 8.610816 0.000000 3.820710 7.931685 5.850889 9.140625 6.995278 7.960436 8.205787 5.560282 5.090927 7.541527 5.018903 8.022149 6.174719 7.215617 3.700221 3.571810 6.619050 2.517372 8.781023 7.625253 7.047723 7.814166 8.883678 1.332479 0.000000 2.897311 4.645991 2.766317 3.747353 2.081053 2.375939 3.419520 1.091099 2.124467 3.420877 2.083521 2.564303 2.747899 4.037402 4.168594 4.480649 4.667343 4.517766 3.345832 2.497768 5.558267 5.502261 3.823113 5.540405 5.615751 0.000000 2.812770 4.334671 3.967491 4.732075 2.832486 4.780573 6.388387 2.175536 1.092042 2.785346 2.869409 3.996196 2.171995 3.071172 4.152896 5.243295 2.988188 5.354421 5.765871 5.301421 4.296054 4.903659 6.625088 5.670103 5.247872 3.041247 0.000000 2.481790 5.416273 3.972075 5.330025 3.413765 4.622128 5.747205 2.130524 1.091575 4.029857 2.777976 4.357163 2.158487 4.369707 3.832504 4.480171 4.349018 4.157647 5.437643 4.897793 5.435895 5.951059 6.027777 4.529714 4.083994 2.402257 1.748635 0.000000 5.059560 2.619062 4.216004 2.296328 2.083588 3.836798 5.872325 3.417899 4.001662 1.088060 4.082418 2.444018 4.240964 2.119731 6.134224 7.160741 3.366655 7.830339 4.885329 4.657097 4.283585 3.903322 5.982917 8.626950 8.612344 4.160732 3.822766 5.042766 0.000000 4.316365 3.320753 4.322597 3.205284 2.123275 4.296791 6.349063 2.831381 2.729244 1.091103 3.706699 2.997169 2.978262 2.113741 5.554099 6.697967 2.806793 7.137971 5.298149 5.148839 4.131390 4.307766 6.419650 7.697793 7.453549 3.742529 2.306288 3.781378 1.759361 0.000000 4.798869 6.454183 5.849929 5.041079 4.005788 5.060647 6.662006 3.490565 2.165995 4.314610 4.754310 4.531898 1.093203 5.210586 6.206491 6.949772 5.395950 6.583165 5.479976 5.899038 6.763345 7.257481 6.422357 6.851161 6.157497 3.721646 2.512219 2.481794 5.058224 3.589589 0.000000 4.599049 6.231510 5.141679 4.120571 3.289619 3.582915 5.007102 2.782460 2.177590 4.161675 4.212296 3.450344 1.094863 5.221768 6.027860 6.492993 5.736717 6.129607 3.842264 4.400761 6.987133 7.189334 4.692695 6.749604 6.327696 2.537746 3.084214 2.523616 4.804446 3.827565 1.768083 0.000000 4.816264 5.347884 5.180900 3.332681 2.716414 3.824032 5.774704 2.852665 2.189492 2.991623 4.310992 3.015349 1.093609 4.217720 6.268950 7.078173 4.803855 7.029217 4.325336 4.890750 6.164129 6.378273 5.474455 7.587120 7.150596 3.187899 2.541924 3.081888 3.518561 2.380374 1.764524 1.767983 0.000000 2.085983 4.025295 2.482051 6.979874 4.818098 6.213458 6.690951 4.049786 4.688794 5.025918 2.563445 5.962876 6.195397 4.033050 1.090241 2.174744 3.593077 3.512896 7.507736 5.684811 3.237945 3.538694 7.722605 4.102403 4.752096 4.578367 4.538099 4.556194 5.868764 5.532537 6.790220 6.591247 6.613390 0.000000 2.016189 5.273971 3.708371 7.766029 5.483155 6.959942 7.497387 4.386320 4.468621 5.689307 3.207003 6.711231 5.970373 4.858234 1.089438 2.175295 4.122519 2.839543 8.145087 6.566537 4.116655 4.849348 8.398650 2.804116 3.193803 4.883336 4.260859 4.002640 6.687511 5.886360 6.308971 6.409483 6.599834 1.779397 0.000000 2.770502 5.533274 2.733175 7.223109 5.259694 5.711073 5.387299 4.247131 5.123757 6.084673 2.960743 6.046807 6.436729 5.578985 2.147298 1.093065 5.566692 2.165509 6.768814 4.783870 5.492047 5.462979 6.567736 3.466883 4.487606 4.157257 5.486883 4.739812 6.883350 6.661909 7.126250 6.421309 7.032724 2.470131 3.067074 0.000000 3.382385 6.366945 4.030263 8.669097 6.548722 7.339949 7.138491 5.462010 6.022245 7.125755 4.089742 7.514660 7.448142 6.368006 2.119535 1.096211 5.984382 2.176688 8.432526 6.503473 5.697170 5.948822 8.290626 2.775198 3.960313 5.558336 6.162479 5.490387 8.002575 7.586425 7.964495 7.576927 8.114191 2.479507 2.483834 1.759813 0.000000 3.400003 3.273652 4.212033 5.738158 3.890905 6.221095 7.823535 3.740960 3.455695 3.023871 3.561262 5.191828 4.548280 2.176808 4.105938 5.576981 1.078754 6.222703 7.439861 6.571078 2.258597 3.280783 8.290435 6.398785 6.177254 4.813359 2.486152 3.951652 3.883067 2.823441 4.843706 5.485919 4.551612 3.978743 4.031166 5.910357 6.191467 0.000000 2.633166 6.601503 3.920865 7.321934 5.316514 5.755804 5.660811 3.900733 4.103639 6.250498 3.301628 6.116915 5.212459 6.114286 2.811722 2.167709 5.991440 1.094423 6.562987 5.183665 6.425852 6.757354 6.474506 2.139828 2.648357 3.621047 4.660079 3.281959 7.210964 6.461072 5.636754 5.087002 6.099193 3.796305 3.186601 2.509576 3.075942 5.914608 0.000000 3.937935 7.650909 4.819538 8.710106 6.755021 6.969881 6.404295 5.435378 5.824320 7.702569 4.565878 7.487768 6.951802 7.399178 3.481501 2.148156 7.232490 1.096272 7.741777 6.124011 7.380883 7.620609 7.399289 2.131486 3.234898 5.099819 6.329396 5.036313 8.614455 8.035154 7.393722 6.766177 7.811700 4.305936 3.837788 2.428340 2.506282 7.264655 1.760870 0.000000 6.791774 6.729356 5.945875 2.778979 3.954744 2.156868 3.319863 4.513221 5.144762 5.045013 5.742272 2.766012 4.441309 6.335248 8.038606 8.255369 7.452708 8.249831 1.076796 3.246020 8.432452 8.000865 2.239956 9.350021 9.349585 3.953908 5.955774 5.761971 4.952447 5.303466 5.321875 3.790221 4.099098 8.252383 8.802717 7.682488 9.298111 7.705293 7.297624 8.588576 0.000000 4.076121 4.369187 2.358220 3.884897 2.934717 2.151418 2.140719 2.939135 4.435411 4.199767 2.878888 2.849941 5.081090 4.526757 4.777138 4.772476 5.445611 5.318496 3.249798 1.078706 5.838393 5.222656 3.208454 6.673166 7.189154 2.515928 5.089019 4.775662 4.521121 5.028601 6.132407 4.825084 5.182546 4.748100 5.794106 3.945356 5.645527 6.035183 4.760738 5.597260 4.223509 0.000000 4.294384 3.275989 4.498497 7.319076 5.504344 7.601515 8.796357 5.413649 5.691832 4.743779 4.487617 6.734858 6.998701 3.290341 4.083754 5.483179 2.259405 6.631923 8.965712 7.551817 1.079080 2.179289 9.586607 6.834064 7.036862 6.379111 4.945527 6.004591 5.338040 5.056022 7.439179 7.786192 7.022019 3.356265 4.031022 5.786316 5.661000 2.746288 6.741841 7.556522 9.446142 6.707909 0.000000 5.042622 2.078131 3.885454 6.356412 5.053413 6.654177 7.646068 5.449665 6.355080 4.487162 4.530359 5.907868 7.517768 3.198888 4.928233 5.949086 3.303959 7.316332 8.013861 6.450816 2.242906 1.078138 8.517195 8.021359 8.508278 6.233481 5.934935 6.879844 4.654462 5.288966 8.269272 8.089832 7.335162 3.947659 5.445556 5.737757 6.186584 4.335683 7.351971 8.021648 8.589393 5.554140 2.744184 0.000000 7.460788 8.062518 6.417255 5.015550 5.577068 3.246765 2.158229 5.691086 6.597241 6.949172 6.470772 4.588477 6.258003 7.933254 8.417215 8.132471 8.979556 8.006456 2.197921 3.176887 9.714407 9.165929 1.079059 9.300099 9.569316 4.769961 7.571529 6.864805 6.999657 7.417263 7.142990 5.385739 6.294353 8.688578 9.311165 7.362666 9.079091 9.329706 7.163589 7.985916 2.760672 4.195624 10.651904 9.566050 0.000000 4.380137 8.235196 5.962381 10.039717 7.844616 8.688205 8.576599 6.483418 6.445640 8.419555 5.506885 8.864619 7.712878 7.839815 3.560985 2.894082 7.231979 2.205913 9.605371 8.053490 7.263631 7.884526 9.508162 1.090182 2.092119 6.510478 6.586901 5.563379 9.439302 8.564041 7.894142 7.824036 8.607949 4.415623 3.163540 3.855643 2.697043 7.032532 3.090510 2.525277 10.341035 7.425238 7.106167 8.347694 10.191297 0.000000 4.702150 8.695204 6.803924 10.049921 7.892821 8.973588 9.282611 6.485238 5.874267 8.321447 5.957991 8.964258 6.908150 7.936776 4.492194 4.462507 7.205132 3.505962 9.792484 8.685528 7.601233 8.485310 9.933605 2.115273 1.085778 6.610709 5.905831 4.880310 9.404942 8.151103 6.755623 7.132052 7.880815 5.481768 3.789452 5.444587 4.680558 6.663224 3.730520 4.140155 10.318333 8.242766 7.468028 9.187678 10.612837 2.433244 0.000000 3.513710 7.600825 5.578133 8.378260 6.315135 7.250173 7.642361 4.870891 4.238653 6.904751 4.606054 7.291493 5.194649 6.765084 3.818442 3.856601 6.278081 2.781523 8.002518 7.055872 6.912114 7.655552 8.188990 2.114279 1.087197 4.892929 4.487363 3.181877 7.971471 6.736493 5.132147 5.323952 6.205887 4.890484 3.453644 4.630137 4.490123 5.782044 2.460205 3.564963 8.495702 6.736606 7.040975 8.434438 8.869028 3.072454 1.851169 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2594177 0.1783544 0.1359350 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= 711 710 710 711 711 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 2318.9386201244 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 -0.0563513877 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 2321.4764607837 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 -0.0580266759 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 2331.8610075270 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 -0.0582198797 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 2342.4072464945 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 -0.0591206173 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 2331.8309548441 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 -0.0578415420 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 2334.8091118903 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 -0.0583103130 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 2336.9639690028 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 -0.0584746179 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 2335.9803074277 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 -0.0584128333 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 2336.5764670735 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 -0.0584402745 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 2336.4657084200 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 -0.0584279234 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 2336.4459186479 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 -0.0584228816 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 2336.5492886949 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 -0.0584314516 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 2336.5989969956 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 -0.0584355615 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= 1.10D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 711 710 710 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.60436788103 -1164.82444716470 -0.220079283669 -1165.20139113243 -0.376943967733 -1165.26805176077 -0.066660628341 -1165.28449790162 -0.016446140849 -1165.28515199857 -0.000654096956 -1165.28524159853 -0.000089599953 -1165.28524802431 -0.000006425782 -1165.28524849194 -0.000000467630 -1165.28524859063 -0.000000098690 -1165.28524859483 -0.000000004204 -1165.28524859580 -0.000000000969 -1165.28524859592 -0.000000000116 -1165.28524859606 -0.000000000146 -1165.28524859591 0.000000000152 -1165.28524860 15 1.161098955988e+03 -7.417803521547e+03 2.740972158958e+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. -2.87891638e+00 4.31461296e-01 1.83286692e+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 -0.000742985 -0.000419904 0.012988435 0.005922770 0.010209585 -0.013212870 0.000742012 -0.002397828 -0.013959630 -0.008147944 0.017573068 -0.003575910 0.000413312 0.001498960 -0.001719647 -0.001535454 -0.000276852 0.001284674 0.012380884 -0.006742462 -0.007194759 0.005896279 -0.003020551 0.003406663 -0.000947170 -0.001875599 0.004670876 -0.008709712 0.003686463 0.001222669 0.003257267 0.007229341 0.002226872 0.000639327 -0.008631676 0.003999085 0.000868730 0.003676162 0.002718933 0.000975568 0.006997786 0.012137725 -0.005339032 -0.011076622 -0.004121309 0.001347031 -0.001505084 -0.004334647 -0.002765978 -0.002417057 0.007321448 0.003274297 0.000426897 0.000802679 0.002548851 0.009402454 0.004555864 -0.009817802 -0.013130514 -0.004141427 -0.003514604 -0.005517140 0.003167291 -0.006490727 -0.011436668 -0.009706100 0.010409188 0.008239874 0.000805206 0.001280142 -0.001936544 -0.000285124 -0.001461393 0.000995585 0.004081753 -0.001299251 -0.000518772 -0.001016974 -0.000730917 -0.000767759 -0.001549086 0.000421216 -0.001797371 -0.000853261 0.001307452 -0.000372696 -0.001493395 0.000686598 -0.000610675 0.000206620 -0.000437476 -0.000363642 0.002433264 0.001883990 0.000190999 -0.001045857 -0.000964978 0.000753798 -0.001814250 0.000571657 0.002635686 -0.000516579 0.000291676 0.000779112 0.001512524 -0.000148027 0.001984563 -0.000456974 -0.000600719 -0.001679327 -0.000160369 0.000790385 0.000317364 0.000289660 -0.000936209 0.001654368 0.000231056 0.001409243 -0.001073360 -0.000543415 -0.001431471 -0.000209070 -0.000030153 -0.001388670 0.000146809 0.001263726 -0.000400600 -0.000772038 -0.000115779 0.000592575 0.000667914 -0.000228744 0.000583560 0.000341269 0.000061801 -0.000357644 -0.001587359 -0.000718795 -0.000860753 -0.001157327 0.001480194 0.000535505 0.001885842 -0.000073967 0.017573068 0.004678801 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.28906670768 -1165.28906767188 -0.000000964199 -1165.28906767557 -0.000000003689 -1165.28906768399 -0.000000008415 -1165.28906768465 -0.000000000660 -1165.28906768450 0.000000000150 -1165.28906768468 -0.000000000177 -1165.28906768 7 1.160426366045e+03 -7.389592773619e+03 2.727334457430e+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) PT191452.300S Wed Jan 12 15:13:38 2022 -2.88671676e+00 6.35044816e-01 1.88971872e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2890677 8.377E-9 7.034E-6 -1.1606276,4.0833087,-2.9226812,5.8521029,4.8627048,9.8263071 C01 [X(C18H23N3O4)] -1.4289501 -1.9473084 2.544316 0.000000009 0.000002640 0.000006601 0.000010395 0.000002748 0.000005312 0.000001620 -0.000003843 0.000005523 0.000015133 -0.000010474 0.000000115 0.000004438 -0.000004412 -0.000026042 0.000021524 0.000011691 0.000018921 -0.000005313 -0.000005657 -0.000003079 0.000006248 -0.000010230 0.000026457 0.000008420 0.000001991 -0.000006773 -0.000007437 0.000009771 0.000009516 -0.000012307 0.000014771 -0.000020005 -0.000021082 0.000008252 -0.000015146 0.000005794 -0.000001762 -0.000004947 0.000000205 -0.000006626 0.000014654 0.000001462 -0.000005811 0.000001075 -0.000003916 -0.000003663 0.000003026 -0.000007231 0.000014360 -0.000007773 -0.000002027 -0.000000610 0.000005507 0.000002301 -0.000000077 -0.000007176 -0.000008246 -0.000008318 -0.000006953 0.000004856 0.000002305 -0.000005585 -0.000010314 -0.000013875 -0.000004154 0.000003209 0.000001554 0.000003260 0.000000023 -0.000000971 0.000003784 -0.000003921 0.000002052 0.000000798 0.000002598 0.000002296 -0.000001665 -0.000002381 0.000001228 0.000007257 -0.000000616 -0.000000228 0.000001945 0.000000270 -0.000002877 -0.000007374 0.000003026 0.000001819 -0.000008969 -0.000001104 0.000002640 -0.000001814 -0.000001475 -0.000000227 -0.000000769 -0.000005438 0.000002252 -0.000006166 -0.000001114 0.000004909 0.000004472 -0.000004354 -0.000002152 0.000002032 0.000001560 -0.000003999 0.000002589 0.000000915 -0.000000583 0.000003428 0.000005229 0.000000895 -0.000001363 -0.000001144 0.000000086 0.000001005 -0.000001982 -0.000000961 0.000004756 0.000001211 -0.000002075 -0.000001102 0.000005309 -0.000001568 0.000000502 -0.000002059 0.000002319 -0.000001797 0.000002152 0.000000259 -0.000002175 0.000001562 -0.000004607 -0.000002736 -0.000002602 0.000000738 0.000005899 -0.000002400 0.000002687 0.000003002 -0.000001004 0.000001341 0.000002127 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-DEPAZ22 PAULAPLA Optimization pefurazoate CONF539 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 CONF539 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/CONF539/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 1.3306 1.4622 1.372 1.3652 1.2131 1.2232 1.4752 1.4849 1.3574 1.432 1.3886 1.379 1.31 1.387 1.5381 1.5362 1.0911 1.5291 1.092 1.0916 1.485 1.0881 1.0911 1.0932 1.0949 1.0936 1.3613 1.5209 1.0902 1.0894 1.541 1.0931 1.0962 1.4343 1.0788 1.5021 1.0944 1.0963 1.3631 1.0768 1.0787 1.3587 1.0791 1.0781 1.0791 1.3325 1.0902 1.0858 1.0872 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 48 117.8106 107.2147 117.227 123.7327 116.5308 123.8171 128.6388 106.8543 105.9257 112.5123 110.298 107.4293 115.6101 106.5703 103.6408 112.1307 110.4692 107.0037 110.8167 109.7742 106.4127 112.5098 107.1424 110.0844 109.9779 109.3193 107.6767 124.4608 112.3404 123.067 124.8999 118.6703 116.421 110.2708 111.0934 112.1272 107.8131 107.587 107.775 116.7936 109.6232 133.5629 111.3196 108.7439 103.4304 111.7288 111.8229 109.4435 113.6707 109.3735 107.0486 109.4145 110.1069 106.9953 106.6889 125.8843 127.4166 113.0098 109.5076 107.8902 110.0066 109.2386 106.9881 105.5172 121.5435 132.9366 111.2387 121.6984 127.0538 106.1579 127.472 126.3695 110.3082 116.0414 133.6479 110.4414 121.6291 127.9294 125.1644 115.7202 119.1005 121.688 121.4727 116.839 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 0.8233 -175.1041 81.3421 -42.1693 -158.4286 177.7413 -0.8449 0.8108 -179.6794 -54.4151 76.2911 -171.3958 106.9554 -122.3385 -10.0254 -58.1804 -179.168 64.0165 139.0932 18.1055 -98.71 -153.0691 28.0334 8.4199 -170.4776 36.8482 -144.1823 -132.3483 46.6211 -172.7021 7.8337 -1.5018 179.034 171.7759 -7.2017 1.1406 -177.8369 -0.2819 178.628 -0.7139 179.2874 -56.3749 67.771 -176.7913 175.6659 -60.1881 55.2496 61.116 -174.738 -59.3003 -144.9264 39.0803 -15.8761 168.1306 100.3405 -75.6527 -176.2661 -56.7943 63.8737 59.7817 179.2535 -60.0784 -57.4709 62.0009 -177.3311 -75.714 102.4481 43.6356 -138.2023 161.6577 -20.1802 0.559 179.462 -177.6994 1.2037 55.1266 -67.4795 176.9316 176.9206 54.3145 -61.2744 -60.0147 177.3792 61.7903 62.9555 -60.0546 -176.1632 -174.461 62.5289 -53.5797 -57.135 179.8549 63.7463 -0.0598 179.6743 -178.9408 0.7933 -115.1166 63.4647 7.6161 -173.8026 124.771 -56.6477 1.3876 -178.6139 -179.2362 0.7624 -0.4653 -179.8566 179.7968 0.4054 179.3999 -0.8037 0.8627 -179.3409 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00191 0.00245 0.00264 0.00301 0.00349 0.00405 0.00595 0.00633 0.00654 0.00785 0.00950 0.01093 0.01201 0.01253 0.01517 0.01938 0.01963 0.02144 0.02302 0.02329 0.02539 0.02843 0.03109 0.03439 0.03645 0.03789 0.03882 0.03912 0.04283 0.04309 0.04393 0.04531 0.04559 0.04588 0.04608 0.04653 0.04975 0.05190 0.05331 0.05532 0.05801 0.05975 0.06089 0.06363 0.06499 0.07057 0.07076 0.07504 0.07748 0.08717 0.09023 0.09431 0.09919 0.09953 0.10316 0.10514 0.10623 0.10721 0.11193 0.11238 0.11938 0.12099 0.12189 0.13187 0.13247 0.13603 0.14500 0.15911 0.16146 0.16359 0.17064 0.18625 0.19402 0.19818 0.20369 0.21106 0.21164 0.21763 0.22379 0.22472 0.23557 0.23811 0.24062 0.24236 0.24517 0.24910 0.26622 0.27552 0.27752 0.28675 0.30371 0.30409 0.31024 0.31517 0.32165 0.32416 0.32720 0.32840 0.32972 0.33217 0.33342 0.33452 0.33699 0.33866 0.33884 0.33911 0.34116 0.34353 0.34409 0.34518 0.34971 0.35138 0.35229 0.35431 0.35463 0.36281 0.36434 0.36986 0.37055 0.37127 0.37388 0.37625 0.37665 0.38100 0.39630 0.42442 0.42610 0.45766 0.46384 0.46699 0.47608 0.54163 0.57057 0.58029 0.61863 0.66392 0.78116 0.82181 Angle between quadratic step and forces= 74.06 degrees. 1 2 0.00046419 0.00000024 0.00000007 0.00000002 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 2.51452 2.76323 2.59265 2.57991 2.29234 2.31144 2.78764 2.80611 2.56520 2.70617 2.62404 2.60598 2.47554 2.62108 2.90653 2.90303 2.06188 2.88958 2.06366 2.06278 2.80629 2.05614 2.06189 2.06585 2.06899 2.06662 2.57254 2.87409 2.06026 2.05874 2.91215 2.06559 2.07154 2.71048 2.03855 2.83852 2.06816 2.07165 2.57598 2.03485 2.03846 2.56757 2.03917 2.03739 2.03913 2.51802 2.06014 2.05182 2.05451 2.05618 1.87125 2.04600 2.15954 2.03385 2.16102 2.24517 1.86496 1.84875 1.96371 1.92506 1.87500 2.01778 1.86000 1.80887 1.95705 1.92805 1.86757 1.93412 1.91592 1.85725 1.96367 1.86999 1.92133 1.91948 1.90798 1.87931 2.17225 1.96071 2.14792 2.17991 2.07119 2.03193 1.92459 1.93895 1.95699 1.88169 1.87775 1.88103 2.03843 1.91329 2.33111 1.94289 1.89794 1.80520 1.95003 1.95168 1.91015 1.98393 1.90893 1.86835 1.90964 1.92173 1.86742 1.86207 2.19710 2.22384 1.97239 1.91127 1.88304 1.91998 1.90657 1.86729 1.84162 2.12133 2.32018 1.94148 2.12404 2.21751 1.85281 2.22481 2.20556 1.92524 2.02530 2.33260 1.92757 2.12283 2.23279 2.18453 2.01970 2.07870 2.12386 2.12010 2.03923 0.01437 -3.05614 1.41969 -0.73599 -2.76510 3.10217 -0.01475 0.01415 -3.13600 -0.94972 1.33153 -2.99142 1.86672 -2.13521 -0.17498 -1.01544 -3.12707 1.11730 2.42763 0.31600 -1.72281 -2.67156 0.48928 0.14696 -2.97539 0.64312 -2.51646 -2.30991 0.81369 -3.01422 0.13672 -0.02621 3.12473 2.99806 -0.12569 0.01991 -3.10384 -0.00492 3.11765 -0.01246 3.12916 -0.98393 1.18283 -3.08559 3.06595 -1.05048 0.96429 1.06668 -3.04975 -1.03499 -2.52944 0.68208 -0.27709 2.93443 1.75127 -1.32039 -3.07642 -0.99125 1.11481 1.04339 3.12856 -1.04857 -1.00306 1.08212 -3.09501 -1.32146 1.78806 0.76158 -2.41208 2.82146 -0.35221 0.00976 3.13220 -3.10144 0.02101 0.96214 -1.17774 3.08804 3.08785 0.94797 -1.06944 -1.04745 3.09585 1.07844 1.09878 -1.04815 -3.07463 -3.04492 1.09134 -0.93514 -0.99719 3.13906 1.11258 -0.00104 3.13591 -3.12311 0.01385 -2.00916 1.10767 0.13293 -3.03343 2.17766 -0.98869 0.02422 -3.11740 -3.12826 0.01331 -0.00812 -3.13909 3.13805 0.00708 3.13112 -0.01403 0.01506 -3.13009 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -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 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 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 0.00004 0.00003 0.00001 0.00002 -0.00002 -0.00003 0.00009 0.00003 0.00003 0.00000 -0.00001 0.00002 -0.00002 0.00002 -0.00002 -0.00001 0.00000 -0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00003 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00014 -0.00010 0.00011 -0.00020 0.00001 0.00000 0.00005 -0.00005 -0.00005 0.00005 0.00001 -0.00000 -0.00003 0.00006 0.00001 -0.00004 0.00002 -0.00002 -0.00001 -0.00002 0.00005 -0.00010 0.00006 0.00002 -0.00000 -0.00005 0.00005 0.00005 0.00002 -0.00007 -0.00001 0.00002 -0.00003 -0.00000 -0.00002 0.00003 -0.00008 -0.00001 0.00010 0.00004 -0.00005 0.00002 0.00001 -0.00000 -0.00002 0.00002 0.00002 0.00001 -0.00002 -0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00003 -0.00002 0.00001 0.00000 -0.00001 -0.00002 -0.00001 0.00004 0.00000 -0.00002 0.00002 -0.00001 0.00002 -0.00000 0.00000 -0.00001 0.00001 -0.00017 -0.00008 0.00021 0.00020 0.00024 0.00018 -0.00001 -0.00001 0.00002 -0.00001 0.00005 -0.00001 -0.00089 -0.00083 -0.00089 0.00013 0.00027 0.00023 0.00096 0.00110 0.00106 0.00072 0.00081 -0.00014 -0.00005 -0.00062 -0.00070 -0.00003 -0.00012 0.00044 0.00049 -0.00006 -0.00001 -0.00044 -0.00048 0.00006 0.00001 -0.00003 0.00002 -0.00001 0.00001 0.00019 0.00016 0.00017 0.00018 0.00015 0.00017 0.00015 0.00012 0.00014 -0.00001 0.00007 0.00004 0.00013 0.00007 0.00016 0.00002 0.00003 0.00007 -0.00000 0.00001 0.00004 0.00003 0.00004 0.00007 0.00010 0.00035 0.00001 0.00025 0.00001 0.00025 0.00002 -0.00013 -0.00021 -0.00036 0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00003 -0.00003 -0.00002 0.00011 0.00009 0.00010 0.00013 0.00011 0.00012 0.00009 0.00007 0.00008 -0.00002 0.00003 0.00013 0.00019 0.00002 0.00003 0.00003 0.00004 0.00002 0.00003 0.00005 0.00002 -0.00001 -0.00004 0.00002 -0.00002 -0.00004 -0.00008 0.00002 -0.00002 0.00001 -0.00003 0.00004 0.00003 0.00001 0.00002 -0.00002 -0.00003 0.00009 0.00003 0.00003 0.00000 -0.00001 0.00002 -0.00002 0.00002 -0.00002 -0.00001 0.00000 -0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00003 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00014 -0.00010 0.00011 -0.00020 0.00001 0.00000 0.00005 -0.00005 -0.00005 0.00005 0.00001 -0.00000 -0.00003 0.00006 0.00001 -0.00004 0.00002 -0.00002 -0.00001 -0.00002 0.00005 -0.00010 0.00006 0.00002 -0.00000 -0.00005 0.00005 0.00005 0.00002 -0.00007 -0.00001 0.00002 -0.00003 -0.00000 -0.00002 0.00003 -0.00008 -0.00001 0.00010 0.00004 -0.00005 0.00002 0.00001 -0.00000 -0.00002 0.00002 0.00002 0.00001 -0.00002 -0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00003 -0.00002 0.00001 0.00000 -0.00001 -0.00002 -0.00001 0.00004 0.00000 -0.00002 0.00002 -0.00001 0.00002 -0.00000 0.00000 -0.00001 0.00001 -0.00017 -0.00008 0.00021 0.00020 0.00024 0.00018 -0.00001 -0.00001 0.00002 -0.00001 0.00005 -0.00001 -0.00089 -0.00083 -0.00089 0.00013 0.00027 0.00023 0.00096 0.00110 0.00106 0.00072 0.00081 -0.00014 -0.00005 -0.00062 -0.00070 -0.00003 -0.00012 0.00044 0.00049 -0.00006 -0.00001 -0.00044 -0.00048 0.00006 0.00001 -0.00003 0.00002 -0.00001 0.00001 0.00019 0.00016 0.00017 0.00018 0.00015 0.00017 0.00015 0.00012 0.00014 -0.00001 0.00007 0.00004 0.00013 0.00007 0.00016 0.00002 0.00003 0.00007 -0.00000 0.00001 0.00004 0.00003 0.00004 0.00007 0.00010 0.00035 0.00001 0.00025 0.00001 0.00025 0.00002 -0.00013 -0.00021 -0.00036 0.00002 0.00002 0.00002 -0.00001 -0.00001 -0.00001 -0.00003 -0.00003 -0.00002 0.00011 0.00009 0.00010 0.00013 0.00011 0.00012 0.00009 0.00007 0.00008 -0.00002 0.00003 0.00013 0.00019 0.00002 0.00003 0.00003 0.00004 0.00002 0.00003 0.00005 0.00002 -0.00001 -0.00004 0.00002 -0.00002 -0.00004 -0.00008 0.00002 -0.00002 0.00001 -0.00003 2.51457 2.76326 2.59266 2.57993 2.29232 2.31140 2.78773 2.80614 2.56523 2.70617 2.62402 2.60600 2.47552 2.62111 2.90650 2.90302 2.06188 2.88957 2.06368 2.06279 2.80628 2.05615 2.06187 2.06586 2.06898 2.06663 2.57251 2.87410 2.06025 2.05875 2.91215 2.06560 2.07154 2.71049 2.03855 2.83852 2.06816 2.07165 2.57598 2.03485 2.03845 2.56756 2.03916 2.03739 2.03912 2.51802 2.06014 2.05182 2.05450 2.05619 1.87126 2.04599 2.15941 2.03375 2.16113 2.24497 1.86497 1.84875 1.96376 1.92501 1.87494 2.01782 1.86001 1.80887 1.95702 1.92811 1.86758 1.93408 1.91594 1.85724 1.96365 1.86997 1.92138 1.91938 1.90804 1.87933 2.17225 1.96066 2.14797 2.17996 2.07121 2.03186 1.92458 1.93897 1.95696 1.88169 1.87773 1.88106 2.03835 1.91328 2.33121 1.94293 1.89788 1.80522 1.95005 1.95167 1.91013 1.98395 1.90895 1.86836 1.90962 1.92172 1.86740 1.86208 2.19708 2.22384 1.97241 1.91126 1.88304 1.91999 1.90656 1.86729 1.84161 2.12133 2.32020 1.94147 2.12407 2.21749 1.85282 2.22481 2.20555 1.92522 2.02529 2.33263 1.92757 2.12281 2.23281 2.18452 2.01972 2.07869 2.12386 2.12009 2.03923 0.01420 -3.05623 1.41990 -0.73579 -2.76486 3.10235 -0.01475 0.01414 -3.13597 -0.94973 1.33158 -2.99143 1.86583 -2.13604 -0.17587 -1.01531 -3.12680 1.11753 2.42859 0.31710 -1.72175 -2.67084 0.49009 0.14681 -2.97545 0.64250 -2.51716 -2.30995 0.81357 -3.01378 0.13721 -0.02627 3.12472 2.99762 -0.12618 0.01996 -3.10383 -0.00495 3.11767 -0.01247 3.12917 -0.98374 1.18299 -3.08542 3.06613 -1.05033 0.96445 1.06683 -3.04963 -1.03485 -2.52946 0.68215 -0.27705 2.93456 1.75135 -1.32023 -3.07640 -0.99122 1.11488 1.04338 3.12857 -1.04853 -1.00303 1.08216 -3.09494 -1.32136 1.78841 0.76159 -2.41183 2.82147 -0.35196 0.00978 3.13207 -3.10165 0.02065 0.96216 -1.17772 3.08806 3.08783 0.94795 -1.06945 -1.04748 3.09582 1.07842 1.09889 -1.04806 -3.07453 -3.04479 1.09144 -0.93502 -0.99711 3.13913 1.11266 -0.00107 3.13594 -3.12298 0.01403 -2.00915 1.10770 0.13295 -3.03339 2.17768 -0.98866 0.02426 -3.11738 -3.12827 0.01327 -0.00810 -3.13911 3.13801 0.00700 3.13114 -0.01404 0.01506 -3.13012 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.002180 0.000464 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.940906e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2336.5989969956 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 -0.0584355615 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 4.179483 0.000000 2.251389 3.017008 0.000000 5.841338 4.390130 4.776885 0.000000 3.568998 3.113191 2.847305 2.288825 0.000000 4.982768 4.939396 3.830733 2.286395 2.371359 0.000000 5.729643 6.346162 4.418767 4.400472 4.272916 2.219606 0.000000 2.384226 3.792132 2.421777 3.602749 1.475154 2.879224 4.272153 0.000000 2.735239 4.686161 3.730007 4.367579 2.505827 4.015329 5.498902 1.538069 0.000000 4.049561 2.434017 3.539717 2.745183 1.484931 3.719559 5.688533 2.526951 3.017497 0.000000 1.330629 3.365296 1.213053 4.679783 2.471502 3.802349 4.676295 1.536219 2.601586 3.184353 0.000000 4.747296 3.983139 3.715578 1.223159 1.357446 1.432042 3.604962 2.498544 3.488438 2.418353 3.566308 0.000000 4.237169 5.650907 4.957865 4.075660 2.983662 3.987761 5.654507 2.544759 1.529101 3.506746 3.944182 3.468904 0.000000 3.601402 1.371972 3.122193 4.057719 2.469567 4.709204 6.374488 3.024741 3.567700 1.485022 2.942906 3.598624 4.503264 0.000000 1.462240 4.680674 2.715158 7.051030 4.809440 6.103975 6.525126 3.754594 4.186961 5.187936 2.392541 5.957613 5.693002 4.418614 0.000000 2.463412 5.784277 3.231876 7.704948 5.582517 6.339799 6.237726 4.429400 5.006201 6.260920 3.136722 6.529819 6.399539 5.659798 1.520903 0.000000 3.364941 2.233830 3.590435 5.321525 3.519717 5.812983 7.357843 3.599338 3.763263 2.616272 3.225056 4.784061 4.899058 1.361328 3.963747 5.396154 0.000000 2.963864 6.872359 4.206512 8.120152 6.041797 6.582233 6.372096 4.681738 4.950495 6.868557 3.779865 6.911774 6.175901 6.514941 2.563184 1.541043 6.254697 0.000000 6.161206 6.278202 5.155989 2.880040 3.601792 1.388581 2.258905 4.024866 4.905209 4.875634 5.069503 2.488429 4.504898 6.004580 7.311108 7.414863 7.109213 7.463557 0.000000 4.726506 5.060147 3.296314 3.487630 3.038542 1.379027 1.309999 3.156169 4.515515 4.428672 3.556104 2.533505 4.837857 5.066265 5.600501 5.569216 6.069871 5.887892 2.222673 0.000000 3.856770 2.235511 3.762576 6.252522 4.504189 6.612305 7.907228 4.573942 4.981623 3.717683 3.775976 5.699203 6.225249 2.243202 3.945553 5.339439 1.434322 6.464539 7.973479 6.635612 0.000000 4.290690 1.365230 3.416268 5.743222 4.266906 6.116077 7.313916 4.622103 5.392157 3.590618 3.816503 5.259107 6.551377 2.203369 4.391938 5.575588 2.233384 6.821822 7.486787 6.056759 1.358701 0.000000 6.512857 6.989006 5.403825 4.106798 4.525841 2.190685 1.387018 4.690430 5.690194 5.906261 5.465341 3.569961 5.466160 6.859769 7.496411 7.325466 7.913500 7.313869 1.363148 2.153380 8.641307 8.095668 0.000000 3.602234 7.655831 5.319038 9.124714 6.957457 7.773287 7.760320 5.550759 5.449142 7.595431 4.722554 7.951338 6.667091 7.154771 3.098634 2.537852 6.635596 1.502080 8.653786 7.223461 6.852738 7.462306 8.610816 0.000000 3.820710 7.931685 5.850889 9.140625 6.995278 7.960436 8.205787 5.560282 5.090927 7.541527 5.018903 8.022149 6.174719 7.215617 3.700221 3.571810 6.619050 2.517372 8.781023 7.625253 7.047723 7.814166 8.883678 1.332479 0.000000 2.897311 4.645991 2.766317 3.747353 2.081053 2.375939 3.419520 1.091099 2.124467 3.420877 2.083521 2.564303 2.747899 4.037402 4.168594 4.480649 4.667343 4.517766 3.345832 2.497768 5.558267 5.502261 3.823113 5.540405 5.615751 0.000000 2.812770 4.334671 3.967491 4.732075 2.832486 4.780573 6.388387 2.175536 1.092042 2.785346 2.869409 3.996196 2.171995 3.071172 4.152896 5.243295 2.988188 5.354421 5.765871 5.301421 4.296054 4.903659 6.625088 5.670103 5.247872 3.041247 0.000000 2.481790 5.416273 3.972075 5.330025 3.413765 4.622128 5.747205 2.130524 1.091575 4.029857 2.777976 4.357163 2.158487 4.369707 3.832504 4.480171 4.349018 4.157647 5.437643 4.897793 5.435895 5.951059 6.027777 4.529714 4.083994 2.402257 1.748635 0.000000 5.059560 2.619062 4.216004 2.296328 2.083588 3.836798 5.872325 3.417899 4.001662 1.088060 4.082418 2.444018 4.240964 2.119731 6.134224 7.160741 3.366655 7.830339 4.885329 4.657097 4.283585 3.903322 5.982917 8.626950 8.612344 4.160732 3.822766 5.042766 0.000000 4.316365 3.320753 4.322597 3.205284 2.123275 4.296791 6.349063 2.831381 2.729244 1.091103 3.706699 2.997169 2.978262 2.113741 5.554099 6.697967 2.806793 7.137971 5.298149 5.148839 4.131390 4.307766 6.419650 7.697793 7.453549 3.742529 2.306288 3.781378 1.759361 0.000000 4.798869 6.454183 5.849929 5.041079 4.005788 5.060647 6.662006 3.490565 2.165995 4.314610 4.754310 4.531898 1.093203 5.210586 6.206491 6.949772 5.395950 6.583165 5.479976 5.899038 6.763345 7.257481 6.422357 6.851161 6.157497 3.721646 2.512219 2.481794 5.058224 3.589589 0.000000 4.599049 6.231510 5.141679 4.120571 3.289619 3.582915 5.007102 2.782460 2.177590 4.161675 4.212296 3.450344 1.094863 5.221768 6.027860 6.492993 5.736717 6.129607 3.842264 4.400761 6.987133 7.189334 4.692695 6.749604 6.327696 2.537746 3.084214 2.523616 4.804446 3.827565 1.768083 0.000000 4.816264 5.347884 5.180900 3.332681 2.716414 3.824032 5.774704 2.852665 2.189492 2.991623 4.310992 3.015349 1.093609 4.217720 6.268950 7.078173 4.803855 7.029217 4.325336 4.890750 6.164129 6.378273 5.474455 7.587120 7.150596 3.187899 2.541924 3.081888 3.518561 2.380374 1.764524 1.767983 0.000000 2.085983 4.025295 2.482051 6.979874 4.818098 6.213458 6.690951 4.049786 4.688794 5.025918 2.563445 5.962876 6.195397 4.033050 1.090241 2.174744 3.593077 3.512896 7.507736 5.684811 3.237945 3.538694 7.722605 4.102403 4.752096 4.578367 4.538099 4.556194 5.868764 5.532537 6.790220 6.591247 6.613390 0.000000 2.016189 5.273971 3.708371 7.766029 5.483155 6.959942 7.497387 4.386320 4.468621 5.689307 3.207003 6.711231 5.970373 4.858234 1.089438 2.175295 4.122519 2.839543 8.145087 6.566537 4.116655 4.849348 8.398650 2.804116 3.193803 4.883336 4.260859 4.002640 6.687511 5.886360 6.308971 6.409483 6.599834 1.779397 0.000000 2.770502 5.533274 2.733175 7.223109 5.259694 5.711073 5.387299 4.247131 5.123757 6.084673 2.960743 6.046807 6.436729 5.578985 2.147298 1.093065 5.566692 2.165509 6.768814 4.783870 5.492047 5.462979 6.567736 3.466883 4.487606 4.157257 5.486883 4.739812 6.883350 6.661909 7.126250 6.421309 7.032724 2.470131 3.067074 0.000000 3.382385 6.366945 4.030263 8.669097 6.548722 7.339949 7.138491 5.462010 6.022245 7.125755 4.089742 7.514660 7.448142 6.368006 2.119535 1.096211 5.984382 2.176688 8.432526 6.503473 5.697170 5.948822 8.290626 2.775198 3.960313 5.558336 6.162479 5.490387 8.002575 7.586425 7.964495 7.576927 8.114191 2.479507 2.483834 1.759813 0.000000 3.400003 3.273652 4.212033 5.738158 3.890905 6.221095 7.823535 3.740960 3.455695 3.023871 3.561262 5.191828 4.548280 2.176808 4.105938 5.576981 1.078754 6.222703 7.439861 6.571078 2.258597 3.280783 8.290435 6.398785 6.177254 4.813359 2.486152 3.951652 3.883067 2.823441 4.843706 5.485919 4.551612 3.978743 4.031166 5.910357 6.191467 0.000000 2.633166 6.601503 3.920865 7.321934 5.316514 5.755804 5.660811 3.900733 4.103639 6.250498 3.301628 6.116915 5.212459 6.114286 2.811722 2.167709 5.991440 1.094423 6.562987 5.183665 6.425852 6.757354 6.474506 2.139828 2.648357 3.621047 4.660079 3.281959 7.210964 6.461072 5.636754 5.087002 6.099193 3.796305 3.186601 2.509576 3.075942 5.914608 0.000000 3.937935 7.650909 4.819538 8.710106 6.755021 6.969881 6.404295 5.435378 5.824320 7.702569 4.565878 7.487768 6.951802 7.399178 3.481501 2.148156 7.232490 1.096272 7.741777 6.124011 7.380883 7.620609 7.399289 2.131486 3.234898 5.099819 6.329396 5.036313 8.614455 8.035154 7.393722 6.766177 7.811700 4.305936 3.837788 2.428340 2.506282 7.264655 1.760870 0.000000 6.791774 6.729356 5.945875 2.778979 3.954744 2.156868 3.319863 4.513221 5.144762 5.045013 5.742272 2.766012 4.441309 6.335248 8.038606 8.255369 7.452708 8.249831 1.076796 3.246020 8.432452 8.000865 2.239956 9.350021 9.349585 3.953908 5.955774 5.761971 4.952447 5.303466 5.321875 3.790221 4.099098 8.252383 8.802717 7.682488 9.298111 7.705293 7.297624 8.588576 0.000000 4.076121 4.369187 2.358220 3.884897 2.934717 2.151418 2.140719 2.939135 4.435411 4.199767 2.878888 2.849941 5.081090 4.526757 4.777138 4.772476 5.445611 5.318496 3.249798 1.078706 5.838393 5.222656 3.208454 6.673166 7.189154 2.515928 5.089019 4.775662 4.521121 5.028601 6.132407 4.825084 5.182546 4.748100 5.794106 3.945356 5.645527 6.035183 4.760738 5.597260 4.223509 0.000000 4.294384 3.275989 4.498497 7.319076 5.504344 7.601515 8.796357 5.413649 5.691832 4.743779 4.487617 6.734858 6.998701 3.290341 4.083754 5.483179 2.259405 6.631923 8.965712 7.551817 1.079080 2.179289 9.586607 6.834064 7.036862 6.379111 4.945527 6.004591 5.338040 5.056022 7.439179 7.786192 7.022019 3.356265 4.031022 5.786316 5.661000 2.746288 6.741841 7.556522 9.446142 6.707909 0.000000 5.042622 2.078131 3.885454 6.356412 5.053413 6.654177 7.646068 5.449665 6.355080 4.487162 4.530359 5.907868 7.517768 3.198888 4.928233 5.949086 3.303959 7.316332 8.013861 6.450816 2.242906 1.078138 8.517195 8.021359 8.508278 6.233481 5.934935 6.879844 4.654462 5.288966 8.269272 8.089832 7.335162 3.947659 5.445556 5.737757 6.186584 4.335683 7.351971 8.021648 8.589393 5.554140 2.744184 0.000000 7.460788 8.062518 6.417255 5.015550 5.577068 3.246765 2.158229 5.691086 6.597241 6.949172 6.470772 4.588477 6.258003 7.933254 8.417215 8.132471 8.979556 8.006456 2.197921 3.176887 9.714407 9.165929 1.079059 9.300099 9.569316 4.769961 7.571529 6.864805 6.999657 7.417263 7.142990 5.385739 6.294353 8.688578 9.311165 7.362666 9.079091 9.329706 7.163589 7.985916 2.760672 4.195624 10.651904 9.566050 0.000000 4.380137 8.235196 5.962381 10.039717 7.844616 8.688205 8.576599 6.483418 6.445640 8.419555 5.506885 8.864619 7.712878 7.839815 3.560985 2.894082 7.231979 2.205913 9.605371 8.053490 7.263631 7.884526 9.508162 1.090182 2.092119 6.510478 6.586901 5.563379 9.439302 8.564041 7.894142 7.824036 8.607949 4.415623 3.163540 3.855643 2.697043 7.032532 3.090510 2.525277 10.341035 7.425238 7.106167 8.347694 10.191297 0.000000 4.702150 8.695204 6.803924 10.049921 7.892821 8.973588 9.282611 6.485238 5.874267 8.321447 5.957991 8.964258 6.908150 7.936776 4.492194 4.462507 7.205132 3.505962 9.792484 8.685528 7.601233 8.485310 9.933605 2.115273 1.085778 6.610709 5.905831 4.880310 9.404942 8.151103 6.755623 7.132052 7.880815 5.481768 3.789452 5.444587 4.680558 6.663224 3.730520 4.140155 10.318333 8.242766 7.468028 9.187678 10.612837 2.433244 0.000000 3.513710 7.600825 5.578133 8.378260 6.315135 7.250173 7.642361 4.870891 4.238653 6.904751 4.606054 7.291493 5.194649 6.765084 3.818442 3.856601 6.278081 2.781523 8.002518 7.055872 6.912114 7.655552 8.188990 2.114279 1.087197 4.892929 4.487363 3.181877 7.971471 6.736493 5.132147 5.323952 6.205887 4.890484 3.453644 4.630137 4.490123 5.782044 2.460205 3.564963 8.495702 6.736606 7.040975 8.434438 8.869028 3.072454 1.851169 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2594177 0.1783544 0.1359350 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= 1.10D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 711 710 710 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28906768465 -1165.28906768470 -0.000000000056 -1165.28906768480 -0.000000000098 -1165.28906768 3 1.160426364886e+03 -7.389592765262e+03 2.727334450232e+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= 5.48D-14 1.00D-09 XBig12= 2.14D+02 5.22D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 5.48D-14 1.00D-09 XBig12= 4.41D+01 1.23D+00. 144 vectors produced by pass 2 Test12= 5.48D-14 1.00D-09 XBig12= 4.21D-01 4.80D-02. 144 vectors produced by pass 3 Test12= 5.48D-14 1.00D-09 XBig12= 1.63D-03 3.88D-03. 144 vectors produced by pass 4 Test12= 5.48D-14 1.00D-09 XBig12= 3.35D-06 1.64D-04. 124 vectors produced by pass 5 Test12= 5.48D-14 1.00D-09 XBig12= 6.23D-09 5.23D-06. 34 vectors produced by pass 6 Test12= 5.48D-14 1.00D-09 XBig12= 9.03D-12 2.13D-07. 3 vectors produced by pass 7 Test12= 5.48D-14 1.00D-09 XBig12= 1.10D-14 1.05D-08. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 881 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 322.04 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 341.764 -28.103 303.663 6.984 6.117 320.702 366.833 -24.400 320.136 4.579 9.180 365.071 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT177471.300S Wed Jan 12 16:59:24 2022 -2.88671639e+00 6.35044685e-01 1.88971826e+00 3.41764483e+02 -2.81029403e+01 3.03662775e+02 6.98379584e+00 6.11737034e+00 3.20702356e+02 -15.6577 -4.1826 -0.0007 0.0003 0.0010 5.0981 15.7535 32.3828 34.0711 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 14.9334 32.3154 33.9465 39.2450 48.5249 60.2000 65.0442 78.4356 90.4493 93.2780 105.9489 119.4383 132.2496 148.5531 170.3747 184.8018 210.7849 224.2414 234.4274 249.4544 266.8960 295.2134 328.1500 329.5620 349.4311 371.7762 396.1779 416.0318 438.0163 441.1243 495.3548 513.3707 563.6051 606.7082 611.7231 644.5221 657.3034 666.1319 674.5606 710.6762 754.6761 756.9607 760.9797 771.8296 779.6866 796.8110 839.9017 845.7973 856.4492 871.2739 876.9906 892.1202 894.8217 897.7986 902.3772 919.3270 921.3766 923.0352 944.7063 945.8811 968.6914 978.6699 993.9948 1021.8401 1032.4300 1033.0662 1054.2871 1067.8562 1083.5194 1085.1435 1091.1655 1100.0812 1119.0147 1137.0223 1143.7912 1157.3996 1177.5449 1206.5693 1234.5058 1239.0275 1246.4047 1252.6377 1262.6929 1273.7623 1292.7112 1301.3659 1310.4236 1314.2086 1318.0131 1319.6838 1351.5898 1356.3803 1374.1259 1380.2771 1384.2838 1399.5604 1406.8028 1417.4395 1421.7658 1436.2540 1443.1247 1467.9621 1475.4647 1478.7623 1491.9653 1492.6204 1494.3844 1504.6781 1509.3750 1525.5337 1550.2047 1632.7145 1684.0309 1692.8266 1735.0339 3017.7837 3023.4200 3029.5701 3061.4732 3065.8503 3077.1953 3079.0194 3083.8587 3084.6146 3089.6765 3094.2614 3108.3066 3112.1880 3118.3712 3136.9296 3141.2939 3198.7016 3238.0875 3243.6748 3248.7632 3255.5788 3272.7066 3281.1639 5.1712 4.6444 4.8524 4.2931 6.1453 4.3764 4.6323 3.1571 4.6960 3.6765 4.8666 4.9517 3.3547 3.1878 4.6944 3.3843 2.1124 2.4299 5.1247 4.1953 1.9461 5.1341 3.5860 3.0022 3.0388 2.3226 2.1526 6.4540 2.7195 2.8102 4.1068 2.8091 4.4272 4.9719 2.8975 3.9146 1.5687 4.3864 4.0725 3.7613 1.5359 1.3937 2.7045 4.6720 1.7988 2.1221 1.3930 2.7210 2.9746 1.3044 2.1912 1.4879 1.6706 1.8404 5.9034 5.9457 2.8683 2.3801 1.3815 1.7547 2.0964 2.3882 2.5243 1.4044 1.1253 2.7967 2.3512 2.0816 1.5318 1.8376 2.6627 2.4393 1.8493 1.9157 2.7452 1.7719 3.1690 2.7132 4.0169 1.4712 1.8556 1.9930 1.6479 1.7316 1.3389 1.4443 2.3421 1.2223 1.3274 1.3464 1.3663 1.7030 1.5579 1.4157 1.4448 2.4430 2.5858 1.3563 1.2750 2.2843 1.1750 1.0833 1.0745 1.1204 1.0993 1.0494 1.0408 3.2460 1.0924 4.5069 4.5081 6.4427 11.4655 4.6035 11.5911 1.0626 1.0367 1.0654 1.0978 1.0632 1.0831 1.0981 1.0658 1.0744 1.0877 1.0960 1.0723 1.1014 1.0777 1.1096 1.1010 1.1157 1.0927 1.0949 1.0994 1.1005 1.1064 1.1052 0.0007 0.0029 0.0033 0.0039 0.0085 0.0093 0.0115 0.0114 0.0226 0.0188 0.0322 0.0416 0.0346 0.0414 0.0803 0.0681 0.0553 0.0720 0.1659 0.1538 0.0817 0.2636 0.2275 0.1921 0.2186 0.1891 0.1991 0.6582 0.3074 0.3222 0.5937 0.4362 0.8286 1.0783 0.6388 0.9581 0.3993 1.1468 1.0918 1.1193 0.5154 0.4705 0.9228 1.6398 0.6443 0.7938 0.5790 1.1469 1.2855 0.5834 0.9930 0.6977 0.7881 0.8740 2.8322 2.9607 1.4347 1.1947 0.7264 0.9250 1.1590 1.3477 1.4695 0.8640 0.7067 1.7585 1.5398 1.3985 1.0596 1.2749 1.8679 1.7392 1.3643 1.4592 2.1160 1.3985 2.5889 2.3272 3.6069 1.3307 1.6985 1.8425 1.5480 1.6553 1.3183 1.4411 2.3696 1.2439 1.3586 1.3816 1.4706 1.8460 1.7331 1.5891 1.6312 2.8194 3.0152 1.6055 1.5185 2.7763 1.4418 1.3754 1.3782 1.4435 1.4417 1.3775 1.3695 4.3300 1.4663 6.1798 6.3830 10.1190 19.1577 7.7725 20.5585 5.7018 5.5835 5.7614 6.0625 5.8881 6.0426 6.1337 5.9722 6.0229 6.1177 6.1827 6.1041 6.2850 6.1743 6.4332 6.4008 6.7258 6.7504 6.7871 6.8366 6.8720 6.9822 7.0104 0.3402 1.0149 1.0368 0.6087 1.8191 0.5920 0.2870 0.4123 4.6907 0.8954 5.5727 1.6291 0.4407 0.3309 2.0855 2.2913 2.1936 3.7826 5.5563 4.9314 4.2474 4.8113 15.4260 11.8835 6.6915 13.2146 8.9664 20.1163 0.6631 0.2797 16.3744 15.5482 15.9268 11.0516 15.4034 4.9081 20.7782 14.7340 35.5808 80.0525 63.4889 120.6949 1.2007 31.8806 13.8963 50.2055 27.4175 20.9521 26.2192 41.1324 19.7899 5.5663 9.6100 14.0981 2.8548 13.6479 14.2415 27.4362 71.2142 40.4910 21.9109 28.0991 93.7332 86.0909 24.7378 59.5032 2.4051 10.8512 81.4132 3.5729 7.2735 90.6678 24.6318 12.4376 24.4392 65.7319 168.9696 3.6943 143.7539 17.5247 34.9536 183.1371 224.4255 248.2256 16.6013 147.9949 11.8972 35.1091 23.8616 1.8594 8.9930 116.4482 8.9951 5.4314 41.1466 81.1192 27.0234 21.5123 57.4073 370.3457 5.1855 15.0253 32.4398 11.2177 20.6897 7.6381 19.7613 88.0474 11.9653 33.3976 19.7770 0.7582 1056.5336 26.8038 491.0366 34.9201 31.0223 26.5554 33.4505 17.1548 8.6474 19.6767 7.5816 59.7377 24.4100 40.0305 44.6763 44.0299 7.0855 17.9265 2.6684 24.7284 2.8356 3.5951 0.6180 38.8494 0.5737 5.7186 0.03 -0.03 -0.03 -0.03 -0.04 0.01 0.03 -0.07 -0.03 0.00 0.06 0.03 0.01 -0.02 0.00 0.08 0.04 -0.01 0.15 0.04 -0.02 0.03 -0.06 -0.03 0.02 -0.10 -0.03 -0.04 -0.03 0.03 0.03 -0.06 -0.03 0.03 0.02 0.01 0.02 -0.10 -0.03 -0.04 -0.05 0.01 0.03 0.01 -0.02 -0.05 -0.00 0.03 -0.06 -0.07 -0.01 -0.16 0.05 0.08 0.11 0.07 -0.01 0.10 0.02 -0.01 -0.05 -0.08 -0.01 -0.04 -0.06 0.00 0.16 0.07 -0.02 -0.16 0.18 0.05 -0.18 0.24 0.04 0.06 -0.04 -0.05 -0.01 -0.12 -0.01 0.03 -0.13 -0.05 -0.05 -0.00 0.06 -0.07 -0.06 0.02 0.01 -0.14 -0.04 0.05 -0.08 -0.06 0.00 -0.08 -0.01 0.07 -0.03 -0.05 0.05 0.08 -0.02 -0.06 -0.09 0.05 -0.03 0.04 0.01 -0.07 -0.09 -0.01 -0.18 0.01 0.10 -0.21 0.03 0.11 0.10 0.09 -0.01 0.08 -0.01 -0.01 -0.06 -0.10 -0.02 -0.03 -0.05 0.00 0.20 0.10 -0.03 -0.15 0.22 0.03 -0.18 0.33 0.02 -0.19 0.19 0.06 -0.04 0.04 -0.05 0.04 -0.02 -0.00 -0.01 -0.01 -0.05 -0.04 -0.06 0.18 -0.04 -0.02 0.01 -0.01 -0.00 0.03 0.05 0.08 -0.07 -0.05 -0.02 -0.03 -0.08 -0.05 -0.04 -0.05 -0.03 0.03 -0.03 0.00 -0.05 -0.03 -0.03 0.08 -0.11 -0.07 -0.02 -0.02 -0.02 -0.01 -0.03 0.05 -0.06 -0.07 0.03 -0.02 -0.03 -0.01 -0.06 0.02 0.04 0.01 -0.01 -0.01 0.00 0.03 0.05 -0.02 0.02 -0.00 -0.08 0.06 -0.01 -0.05 0.03 0.04 -0.06 0.13 0.06 0.16 0.29 0.00 0.16 -0.05 -0.02 -0.05 -0.08 -0.05 -0.04 -0.09 -0.04 -0.07 -0.03 -0.03 0.08 -0.10 -0.04 0.03 -0.13 -0.09 -0.03 -0.10 -0.06 -0.04 -0.11 -0.07 0.02 -0.02 0.02 -0.08 -0.02 0.08 -0.06 -0.11 0.03 -0.08 -0.11 0.01 0.04 -0.07 -0.00 -0.07 0.09 0.02 -0.10 -0.08 0.04 0.02 -0.03 -0.05 0.03 0.03 0.07 -0.01 0.03 0.01 -0.12 0.10 -0.02 -0.05 0.04 0.05 -0.10 0.07 0.13 0.28 0.36 0.02 0.28 0.35 -0.07 0.05 0.01 0.03 -0.02 -0.13 0.00 -0.01 -0.00 -0.04 -0.04 0.00 0.03 -0.08 0.01 -0.00 -0.06 0.03 -0.03 0.02 0.04 -0.13 0.13 0.02 -0.01 -0.05 0.04 -0.02 -0.04 0.00 -0.00 -0.07 0.01 -0.01 -0.03 0.01 0.00 -0.05 0.06 -0.03 -0.06 -0.05 -0.02 -0.00 0.00 0.11 0.00 -0.05 0.15 -0.06 -0.03 -0.03 0.08 -0.01 0.10 -0.12 0.02 -0.01 0.10 0.04 -0.10 0.04 -0.10 -0.02 0.13 -0.16 0.00 0.07 0.02 -0.07 0.17 0.07 0.09 -0.01 0.18 -0.01 -0.00 0.02 -0.01 -0.05 0.04 -0.03 -0.02 0.04 -0.03 -0.03 -0.02 0.01 -0.13 0.07 0.00 -0.06 0.08 -0.04 -0.05 0.06 -0.02 -0.08 0.05 -0.02 -0.07 0.02 0.13 0.04 0.02 0.10 0.02 -0.09 0.18 -0.12 -0.09 0.20 0.00 0.03 -0.05 0.10 0.03 0.04 -0.20 -0.09 0.15 -0.16 0.00 0.04 0.10 0.05 -0.13 -0.00 -0.11 -0.03 0.19 -0.23 0.01 0.08 0.02 -0.08 0.24 0.02 0.16 0.08 0.23 -0.01 0.08 0.22 -0.08 -0.08 -0.01 -0.00 0.12 0.04 -0.08 -0.04 -0.04 -0.06 0.08 -0.01 0.04 -0.04 -0.01 -0.02 0.05 0.00 0.01 -0.00 0.01 0.02 -0.00 0.00 -0.03 0.07 0.02 -0.02 0.08 -0.03 -0.01 0.03 -0.02 -0.04 0.09 -0.01 0.01 0.00 0.04 0.02 0.07 -0.01 -0.03 -0.03 -0.02 0.10 0.15 -0.07 0.19 0.01 -0.02 -0.01 -0.09 -0.05 0.09 -0.12 0.06 0.06 -0.06 -0.03 -0.01 0.03 0.02 -0.05 -0.14 0.06 -0.09 -0.10 0.07 0.06 -0.06 -0.03 -0.00 -0.07 0.01 -0.14 -0.06 0.01 -0.03 0.07 0.00 -0.02 0.06 0.04 -0.04 0.10 -0.02 -0.01 0.07 -0.09 -0.00 0.03 0.05 0.03 0.08 0.05 0.02 0.08 0.03 0.03 0.05 -0.02 0.17 0.23 -0.01 0.05 0.19 -0.10 0.26 -0.04 -0.09 0.28 0.06 -0.05 0.02 -0.10 -0.04 0.01 -0.17 -0.08 0.16 -0.22 0.10 0.08 -0.09 -0.07 -0.04 0.07 0.03 -0.05 -0.19 0.10 -0.13 -0.12 0.11 0.08 -0.09 -0.04 0.06 -0.04 0.03 -0.20 -0.03 0.03 -0.20 -0.10 -0.00 0.03 0.03 -0.11 -0.04 -0.10 -0.05 -0.02 -0.02 0.03 -0.17 0.32 0.03 -0.00 -0.09 0.04 -0.05 0.06 0.07 0.08 -0.10 0.01 0.04 -0.03 0.05 0.10 -0.01 0.08 0.02 -0.15 -0.02 0.01 -0.00 0.03 -0.09 0.12 0.08 0.15 -0.02 0.02 -0.00 -0.07 -0.03 0.03 0.06 -0.03 0.05 0.03 0.06 0.03 0.04 -0.02 0.02 -0.01 0.02 -0.09 0.01 0.07 0.05 -0.01 -0.05 -0.01 0.08 -0.15 -0.05 -0.01 0.04 -0.00 -0.09 -0.05 -0.04 -0.04 -0.09 -0.06 -0.04 -0.02 0.02 0.00 0.07 0.12 -0.05 0.05 0.11 0.05 0.06 0.00 -0.28 0.20 0.09 -0.14 0.11 0.19 -0.01 0.08 0.14 0.01 0.08 0.15 -0.07 -0.06 0.05 0.08 -0.02 -0.00 0.09 -0.03 0.07 0.02 -0.03 0.07 0.04 0.16 0.07 0.09 -0.03 0.03 0.01 0.02 0.03 -0.03 -0.01 -0.16 0.05 0.09 0.10 0.01 -0.05 0.00 0.17 -0.25 -0.08 -0.02 0.04 -0.00 -0.15 -0.04 -0.07 -0.07 -0.11 -0.10 -0.07 -0.11 -0.03 -0.02 -0.00 0.03 -0.02 -0.07 -0.09 0.01 0.07 -0.08 0.03 -0.00 -0.03 -0.06 0.00 -0.02 0.06 -0.04 -0.03 -0.01 -0.05 -0.00 -0.04 -0.02 0.01 0.08 -0.07 0.10 0.06 0.02 -0.00 0.01 0.02 -0.02 0.03 -0.01 -0.03 -0.00 -0.11 0.13 0.13 -0.01 -0.03 0.03 0.05 0.01 -0.09 0.09 -0.01 -0.06 0.01 -0.01 0.07 0.07 0.02 -0.02 0.06 0.03 -0.12 -0.09 -0.05 0.03 -0.04 -0.08 0.07 -0.09 -0.12 0.03 0.05 0.04 -0.14 0.08 0.07 -0.03 0.08 0.17 -0.04 -0.03 -0.01 0.14 -0.06 0.12 -0.00 -0.08 0.12 0.07 0.01 -0.02 -0.05 0.07 0.04 0.02 -0.15 0.21 0.12 -0.13 0.10 0.21 -0.09 0.10 0.11 0.10 -0.01 -0.10 0.02 0.04 -0.15 0.11 -0.03 -0.03 0.11 -0.04 -0.09 0.05 0.03 0.10 0.07 0.03 -0.02 0.07 -0.00 0.01 0.12 0.05 -0.18 -0.16 -0.08 0.10 -0.05 -0.08 0.09 -0.14 -0.18 0.01 0.10 0.08 -0.21 0.07 0.03 -0.03 0.08 0.22 -0.04 0.08 0.22 -0.04 -0.04 -0.01 -0.02 0.01 0.04 -0.00 -0.04 -0.01 -0.02 -0.04 -0.03 -0.01 -0.03 -0.04 -0.04 0.01 -0.06 0.02 0.08 -0.11 0.06 -0.05 -0.01 -0.02 -0.06 0.03 -0.02 -0.00 -0.03 -0.04 -0.04 -0.01 -0.02 -0.03 -0.05 -0.01 -0.08 0.03 -0.00 0.01 0.02 -0.01 -0.05 -0.02 -0.02 -0.06 -0.03 0.00 0.05 0.11 0.03 -0.04 -0.02 0.01 0.18 0.09 -0.08 -0.04 -0.17 0.10 0.08 0.20 0.06 0.05 0.16 0.04 0.23 0.05 -0.05 -0.04 -0.04 0.03 -0.03 -0.09 0.03 -0.07 -0.02 0.01 -0.04 0.05 -0.05 -0.07 0.05 -0.01 0.01 -0.05 -0.05 0.02 -0.03 -0.03 -0.09 0.07 -0.00 -0.11 0.01 0.03 -0.06 0.00 -0.01 -0.06 -0.03 -0.03 -0.05 -0.01 -0.01 -0.07 -0.03 -0.01 -0.07 -0.04 0.01 0.07 0.12 0.04 -0.04 -0.02 0.01 -0.04 -0.03 0.02 0.25 0.20 -0.16 -0.15 -0.28 0.15 0.11 0.29 0.10 0.06 0.19 0.05 0.35 0.13 -0.10 -0.04 -0.01 0.03 -0.03 -0.10 0.04 -0.03 -0.12 0.02 -0.03 0.17 0.04 -0.02 -0.05 -0.02 -0.06 -0.01 -0.02 -0.02 -0.00 0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.03 0.03 -0.03 0.00 -0.03 0.00 -0.06 -0.02 -0.02 -0.01 0.01 -0.04 0.06 0.00 -0.02 -0.01 0.00 0.02 -0.15 -0.07 -0.01 -0.01 -0.00 -0.04 0.08 0.03 0.07 0.04 0.05 -0.00 0.02 -0.01 0.18 0.04 0.09 0.03 0.03 -0.01 -0.02 -0.04 0.03 -0.00 -0.00 -0.02 -0.01 -0.05 -0.03 0.04 0.01 0.00 0.08 -0.10 -0.03 -0.05 0.09 -0.04 -0.05 0.01 -0.08 0.04 -0.07 0.04 -0.01 -0.05 -0.04 -0.02 -0.01 0.03 -0.04 -0.03 0.01 0.05 -0.21 -0.07 -0.00 -0.14 -0.15 0.03 -0.16 -0.05 -0.09 0.08 0.02 -0.06 0.03 0.02 0.09 0.10 0.06 0.05 -0.06 0.05 -0.00 0.05 0.00 0.15 0.21 0.17 0.37 -0.00 0.12 0.05 0.06 -0.03 -0.04 -0.06 0.04 0.00 0.01 -0.03 -0.02 -0.08 -0.04 0.06 0.03 0.00 0.11 -0.37 -0.12 -0.13 -0.02 -0.14 -0.10 0.36 0.05 -0.01 -0.07 0.01 0.06 0.18 0.04 -0.03 0.15 0.03 0.00 -0.06 0.12 0.00 0.00 -0.03 0.02 -0.01 0.00 -0.11 -0.06 0.08 -0.00 0.02 -0.01 0.05 0.01 0.01 0.02 0.01 -0.03 -0.02 0.05 0.02 0.01 -0.03 0.04 0.09 0.02 -0.04 0.00 0.00 -0.02 -0.02 -0.04 0.03 -0.02 -0.01 -0.02 -0.08 -0.20 -0.08 -0.01 -0.04 -0.05 0.09 0.04 -0.09 -0.10 -0.07 0.10 -0.07 -0.16 -0.06 0.02 0.08 0.01 0.02 0.01 -0.04 0.01 -0.02 -0.02 0.07 0.14 -0.03 -0.03 0.02 -0.02 0.04 0.00 0.03 0.06 -0.00 0.04 0.01 0.01 -0.06 0.04 0.01 -0.03 0.13 0.00 -0.02 0.11 0.04 -0.07 0.08 0.04 -0.06 -0.03 -0.01 0.06 -0.02 -0.07 0.04 -0.02 0.01 -0.02 -0.02 0.01 -0.01 -0.13 -0.37 -0.13 -0.00 -0.06 -0.08 -0.04 -0.02 -0.07 0.19 0.09 -0.18 -0.17 -0.11 0.16 -0.12 -0.29 -0.09 0.06 0.20 0.05 0.05 0.03 -0.08 -0.01 -0.13 0.02 0.09 0.17 -0.00 0.09 0.26 -0.07 -0.02 -0.11 0.06 -0.02 -0.01 -0.02 -0.05 -0.08 0.04 -0.03 0.01 -0.00 -0.03 -0.02 -0.01 -0.01 -0.01 0.00 0.05 0.03 -0.04 -0.00 -0.06 0.03 0.03 -0.04 0.04 -0.05 -0.03 -0.01 -0.03 -0.09 0.04 -0.02 -0.01 0.00 0.08 0.03 0.02 -0.04 -0.01 -0.03 -0.02 -0.06 0.07 -0.02 -0.01 -0.02 -0.00 0.09 -0.01 0.00 -0.07 -0.09 -0.04 -0.03 0.04 0.04 0.03 -0.04 0.04 0.16 0.01 0.02 0.10 -0.00 -0.01 -0.01 0.01 0.03 -0.07 -0.04 0.11 0.25 -0.06 0.02 -0.05 0.03 -0.00 -0.05 0.02 0.07 -0.08 0.08 -0.05 -0.02 0.01 -0.08 -0.02 -0.02 0.11 0.04 0.03 0.11 0.04 0.03 0.05 0.06 -0.02 -0.03 -0.01 0.12 -0.02 -0.11 0.09 -0.03 0.04 -0.05 -0.04 0.03 0.01 -0.00 0.12 -0.00 0.02 -0.09 -0.12 -0.02 -0.03 -0.12 -0.09 -0.05 0.08 0.07 0.05 -0.07 0.07 0.25 0.03 0.04 0.12 0.00 -0.02 -0.01 0.02 -0.01 -0.31 0.00 0.13 0.28 -0.03 0.15 0.51 -0.11 -0.01 0.07 0.02 0.04 0.16 0.04 0.00 -0.03 0.01 -0.01 -0.03 -0.14 -0.01 -0.04 0.01 -0.06 -0.10 0.04 0.20 0.02 -0.13 -0.02 -0.02 0.02 -0.05 0.04 0.02 -0.00 -0.02 -0.03 -0.01 0.00 0.01 -0.03 -0.05 -0.03 -0.08 0.12 0.08 -0.02 -0.02 -0.02 -0.01 0.06 0.03 0.00 0.05 0.04 -0.07 -0.18 -0.05 0.07 0.05 0.06 -0.07 -0.09 0.09 0.11 -0.03 -0.09 -0.05 -0.08 -0.02 0.02 0.13 0.04 0.09 -0.02 -0.01 0.02 -0.04 0.01 -0.04 -0.01 0.01 -0.04 -0.03 0.04 -0.08 0.04 -0.04 -0.04 0.02 0.03 -0.01 -0.03 -0.07 0.03 -0.00 -0.03 -0.11 0.18 0.07 -0.05 0.11 0.16 -0.08 0.12 0.05 -0.02 0.06 0.02 -0.01 0.06 0.03 -0.01 0.08 0.02 -0.02 0.02 0.07 -0.13 -0.34 -0.10 0.06 0.14 0.09 0.17 0.03 0.07 -0.18 -0.14 0.19 0.14 -0.02 -0.14 -0.08 -0.16 -0.03 0.07 0.28 0.09 0.12 -0.00 -0.01 0.04 -0.15 -0.03 -0.08 -0.09 -0.04 -0.07 0.09 0.05 -0.03 -0.06 -0.02 0.04 -0.09 0.02 -0.07 0.24 0.01 0.02 0.00 -0.11 0.01 0.03 0.01 -0.03 -0.03 0.04 0.13 0.01 -0.03 -0.03 0.08 -0.03 -0.04 0.07 -0.03 0.09 0.03 0.04 -0.04 0.11 -0.02 -0.01 0.00 -0.03 -0.08 -0.03 -0.02 0.09 0.04 0.06 -0.08 -0.04 0.05 -0.12 -0.00 0.00 0.09 0.04 0.06 -0.08 -0.06 -0.06 -0.01 -0.00 0.07 0.06 -0.02 -0.02 0.03 -0.12 0.01 -0.00 -0.20 -0.01 0.08 0.02 0.03 -0.04 -0.11 0.00 0.05 0.08 -0.01 -0.06 0.07 -0.04 0.02 0.09 -0.01 -0.09 0.13 -0.05 0.10 -0.00 0.02 0.12 0.02 0.04 -0.10 -0.02 -0.03 -0.16 -0.06 -0.04 -0.03 -0.09 0.00 -0.13 -0.01 0.07 -0.05 -0.08 0.11 -0.15 0.03 -0.05 -0.15 0.03 0.05 0.13 0.12 0.09 -0.05 -0.07 -0.10 -0.09 -0.03 -0.10 -0.07 0.00 0.11 0.07 -0.04 -0.05 0.01 -0.17 0.00 -0.06 -0.32 -0.05 0.12 0.04 0.04 -0.08 -0.30 0.06 0.08 0.06 0.04 0.09 0.28 -0.07 -0.05 0.01 0.05 -0.03 0.01 -0.06 -0.02 0.10 0.10 -0.03 -0.03 -0.05 -0.03 -0.00 0.02 -0.08 -0.07 0.07 0.08 0.02 -0.05 -0.03 0.02 0.06 0.05 -0.01 0.08 -0.01 0.02 -0.05 -0.04 0.05 0.08 -0.05 -0.03 0.02 0.10 -0.14 -0.02 -0.01 0.02 -0.05 0.02 -0.04 -0.04 0.14 -0.07 -0.04 -0.00 0.03 -0.03 -0.00 -0.02 -0.02 -0.04 -0.03 0.05 -0.01 -0.03 0.01 -0.02 0.03 -0.02 -0.04 0.01 -0.04 0.06 0.02 -0.03 0.02 0.15 -0.02 0.02 -0.02 -0.01 -0.06 0.02 0.03 0.14 0.01 0.15 -0.00 0.05 0.10 -0.00 -0.01 -0.09 0.02 0.07 -0.05 0.18 -0.19 0.00 0.02 -0.15 -0.12 0.13 -0.19 -0.05 0.04 -0.05 -0.04 -0.05 -0.06 -0.12 0.23 -0.09 0.09 0.22 -0.09 -0.17 0.02 0.04 -0.02 -0.03 -0.12 -0.01 -0.11 -0.02 0.00 -0.07 -0.04 0.08 -0.02 -0.04 0.02 -0.02 0.03 -0.01 -0.06 0.01 -0.04 0.12 0.06 -0.07 0.04 0.44 -0.02 0.04 0.12 -0.00 0.01 -0.31 -0.01 -0.06 0.05 -0.02 0.04 -0.06 0.09 -0.05 0.01 -0.02 -0.05 -0.02 0.01 -0.04 -0.00 -0.02 -0.04 -0.01 -0.02 0.04 -0.03 -0.01 -0.04 -0.01 -0.04 0.03 -0.03 -0.01 -0.04 -0.04 0.10 -0.05 0.02 -0.02 -0.05 -0.01 -0.02 0.19 0.22 -0.08 -0.00 -0.01 0.09 -0.03 0.00 -0.06 0.03 -0.03 -0.03 -0.01 0.01 0.04 0.01 0.00 0.01 -0.02 0.02 0.01 0.00 -0.04 -0.03 0.03 -0.03 -0.01 0.06 -0.08 0.03 0.03 0.01 0.02 0.01 0.05 -0.00 -0.00 -0.02 0.00 -0.05 0.00 -0.07 -0.13 -0.10 -0.03 0.17 -0.19 0.07 -0.02 -0.03 0.17 -0.08 -0.11 0.10 0.26 0.15 -0.05 0.39 0.31 -0.09 0.04 0.39 -0.13 -0.03 -0.01 -0.08 -0.06 -0.00 -0.10 0.06 -0.04 0.01 0.05 -0.07 -0.08 -0.05 0.05 0.03 0.00 0.00 0.02 -0.00 -0.02 0.03 -0.05 0.05 0.03 -0.01 -0.07 -0.05 0.03 -0.03 -0.06 0.10 -0.12 0.01 0.05 0.02 0.05 0.02 0.14 -0.01 -0.00 0.02 -0.00 -0.01 -0.11 0.01 0.06 -0.06 0.01 -0.09 -0.09 -0.06 0.03 0.32 0.05 0.01 0.01 0.00 0.01 -0.07 0.03 0.06 -0.02 -0.02 -0.01 -0.03 0.00 0.03 -0.09 -0.03 -0.05 -0.15 -0.05 -0.09 -0.07 -0.02 0.05 0.06 0.00 0.03 -0.03 0.01 -0.07 0.10 0.07 -0.09 -0.09 -0.06 0.04 0.02 0.06 0.05 0.03 0.03 -0.05 0.02 -0.03 0.06 0.04 0.04 0.04 -0.04 -0.03 0.03 -0.01 -0.01 -0.02 0.09 -0.01 -0.04 0.01 -0.03 -0.01 -0.05 -0.01 0.03 0.04 0.01 -0.02 -0.00 0.01 0.01 -0.08 -0.09 -0.25 -0.21 -0.11 0.07 -0.29 -0.09 -0.10 -0.03 0.04 -0.16 -0.06 -0.02 -0.19 -0.00 0.02 0.20 0.20 0.11 -0.23 0.30 0.19 0.03 0.04 0.08 0.06 -0.01 0.08 0.07 0.04 0.04 0.06 0.02 0.02 -0.04 0.06 -0.02 0.05 0.06 0.06 0.08 0.03 0.05 0.05 -0.05 -0.04 0.04 0.01 -0.01 0.02 0.19 0.02 -0.04 0.02 -0.03 -0.04 -0.07 -0.00 0.05 0.07 -0.03 -0.05 -0.00 -0.03 -0.05 -0.03 0.05 0.03 -0.03 -0.11 -0.03 -0.01 -0.02 0.16 0.03 0.01 0.00 -0.01 -0.05 -0.00 0.00 0.07 -0.07 -0.06 0.12 -0.02 0.05 -0.02 0.00 0.00 0.05 0.04 -0.03 0.06 -0.02 0.02 0.01 0.06 0.00 -0.01 -0.02 -0.02 0.05 0.13 -0.01 -0.03 -0.02 0.00 -0.01 0.04 0.05 -0.13 -0.14 0.03 -0.04 -0.02 0.03 -0.01 -0.01 0.05 0.02 -0.02 -0.03 0.02 -0.07 -0.00 0.09 -0.01 0.03 -0.01 -0.02 0.01 -0.02 0.01 0.03 -0.06 -0.03 -0.11 0.04 -0.03 -0.03 0.03 0.00 0.00 0.05 0.03 -0.04 0.09 0.07 -0.06 0.08 -0.02 0.01 0.00 -0.03 0.05 0.01 0.20 -0.14 -0.01 0.21 0.05 -0.14 0.07 0.07 -0.02 0.15 -0.03 -0.19 0.08 0.21 -0.14 -0.26 -0.02 -0.17 -0.24 0.05 0.11 -0.01 0.05 -0.00 0.02 0.19 0.02 0.10 0.01 0.06 -0.01 -0.07 0.02 -0.08 0.00 0.13 -0.01 0.05 -0.01 -0.02 -0.00 -0.02 0.06 0.06 -0.15 -0.05 -0.37 0.05 -0.05 -0.20 0.03 -0.01 0.22 0.03 0.01 0.05 0.02 0.01 0.03 -0.02 -0.05 -0.06 -0.05 0.03 0.03 -0.07 0.02 0.01 0.02 -0.02 -0.04 0.11 -0.03 0.07 0.00 0.01 0.01 -0.03 -0.04 -0.08 -0.05 0.03 0.02 -0.01 -0.01 0.01 -0.03 0.02 0.00 0.03 -0.03 0.02 -0.02 0.04 0.01 -0.02 -0.02 -0.02 0.05 0.03 -0.02 0.02 0.04 -0.01 0.00 -0.03 -0.04 -0.02 0.01 -0.04 0.02 -0.03 0.03 0.10 0.01 -0.02 0.02 -0.01 0.01 0.00 -0.00 0.02 -0.05 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.01 0.02 -0.06 -0.16 -0.13 -0.03 0.05 -0.19 -0.11 0.04 0.01 -0.00 0.01 0.04 -0.01 -0.15 -0.40 -0.08 0.34 0.23 -0.24 -0.27 0.31 0.29 -0.09 0.00 0.06 -0.02 -0.08 0.08 0.07 -0.00 0.06 0.07 -0.00 -0.02 0.07 -0.03 0.01 -0.03 -0.11 -0.03 -0.08 -0.01 -0.06 0.04 -0.09 0.01 -0.04 0.06 0.14 -0.00 -0.04 0.04 -0.04 0.02 0.01 0.01 0.03 -0.13 -0.02 0.06 0.00 0.04 0.07 0.01 0.03 -0.04 -0.03 -0.00 0.02 -0.00 -0.01 -0.07 0.03 -0.05 0.02 -0.04 0.02 0.08 -0.07 0.02 -0.03 -0.02 0.04 -0.04 0.12 -0.04 0.08 0.01 -0.00 -0.01 -0.04 0.01 0.06 -0.04 -0.03 -0.05 0.01 -0.01 0.01 -0.04 0.04 -0.00 0.03 0.02 0.03 -0.06 -0.05 -0.09 0.02 -0.02 -0.01 0.02 0.02 -0.01 0.01 -0.05 -0.04 -0.00 0.00 -0.01 -0.00 0.04 -0.07 0.02 -0.00 0.06 0.11 0.02 0.03 -0.00 0.04 0.01 0.02 -0.02 -0.01 -0.05 0.00 0.02 -0.01 0.00 0.00 -0.01 -0.04 -0.03 -0.02 0.08 0.09 -0.06 -0.03 0.12 0.02 -0.06 -0.00 -0.00 -0.01 -0.07 0.01 0.15 0.48 0.00 -0.33 -0.18 0.19 0.24 -0.24 -0.40 -0.07 0.01 0.03 -0.02 -0.05 0.04 0.04 0.01 0.03 0.03 -0.02 -0.02 -0.08 -0.04 -0.02 -0.00 -0.03 0.00 -0.01 -0.01 -0.01 0.08 -0.15 0.01 0.01 0.12 0.16 0.04 0.09 -0.01 0.09 0.04 0.03 -0.04 -0.01 -0.14 0.01 0.06 -0.01 0.00 0.04 -0.01 -0.00 -0.04 -0.00 0.17 -0.13 0.01 -0.02 0.03 0.07 0.05 -0.03 -0.09 0.01 -0.13 0.01 -0.01 0.09 -0.02 -0.16 -0.07 0.05 0.03 -0.03 -0.03 0.06 0.04 -0.07 -0.01 0.03 -0.10 -0.05 0.07 0.08 0.11 -0.05 -0.08 -0.05 -0.01 0.00 -0.03 -0.00 -0.09 -0.06 0.10 0.09 0.08 -0.03 0.18 0.06 0.05 0.07 -0.09 0.11 0.01 0.05 0.01 0.01 -0.08 0.01 0.02 -0.10 -0.10 0.01 -0.06 0.02 -0.07 -0.01 -0.03 -0.03 0.05 0.04 -0.03 0.04 0.05 -0.01 -0.01 0.01 -0.01 0.12 0.05 -0.02 -0.01 0.03 -0.10 -0.01 0.03 -0.12 -0.05 0.10 0.14 -0.09 -0.02 0.08 -0.01 0.13 -0.08 -0.15 -0.07 -0.01 0.05 -0.10 -0.16 -0.01 0.06 0.26 0.14 -0.13 0.30 0.06 0.10 0.06 0.06 0.09 0.09 -0.15 0.17 -0.01 0.04 -0.03 0.02 0.03 0.03 -0.02 -0.10 0.04 0.03 -0.14 -0.16 0.01 -0.07 -0.01 -0.15 0.03 -0.12 -0.05 0.15 0.10 -0.07 0.07 0.16 -0.05 -0.03 0.08 -0.06 -0.05 -0.09 0.03 0.05 0.25 0.01 -0.05 -0.05 0.04 0.10 -0.00 -0.02 0.05 -0.06 0.01 0.04 0.01 0.04 0.01 -0.02 -0.05 0.02 -0.05 -0.02 0.02 0.06 0.02 0.02 0.06 0.02 -0.05 0.01 0.04 0.06 0.11 -0.00 0.03 -0.01 -0.00 0.01 -0.01 0.01 -0.11 -0.05 0.03 0.01 0.01 0.02 0.06 -0.04 0.07 -0.11 0.00 -0.02 -0.17 -0.11 -0.07 0.00 -0.02 -0.03 0.02 -0.04 -0.05 -0.03 0.06 -0.05 0.01 0.02 -0.01 0.01 -0.04 -0.01 -0.12 -0.12 0.01 0.07 -0.00 -0.00 -0.02 0.04 0.00 0.06 0.07 0.04 -0.01 0.09 0.01 -0.08 0.08 0.03 -0.04 0.00 0.04 -0.01 -0.11 -0.00 0.03 0.02 -0.07 -0.00 0.00 0.09 -0.09 -0.03 -0.06 0.00 -0.00 0.02 0.15 -0.09 0.19 0.18 0.04 -0.08 -0.17 0.02 -0.05 -0.19 -0.33 -0.10 -0.29 0.01 -0.21 0.00 -0.01 -0.02 0.02 -0.05 -0.06 -0.01 0.12 -0.08 0.08 0.04 -0.00 0.01 -0.04 0.02 -0.19 -0.23 0.12 0.15 -0.01 0.14 0.16 0.11 -0.15 -0.01 -0.07 -0.00 -0.01 -0.07 0.05 -0.03 -0.00 -0.00 0.02 0.01 -0.00 0.02 0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.05 0.02 0.01 0.16 0.02 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.02 -0.00 -0.01 -0.01 -0.02 -0.03 -0.07 -0.07 0.04 -0.01 -0.01 0.00 -0.03 0.01 -0.02 -0.08 -0.02 -0.00 0.05 0.02 0.01 0.02 -0.02 -0.01 0.03 0.00 -0.01 0.01 0.04 -0.02 0.05 0.01 0.01 -0.00 -0.03 -0.01 0.04 0.03 -0.00 -0.02 0.00 -0.00 -0.04 0.03 0.09 0.16 0.21 0.04 -0.08 0.28 0.04 -0.05 0.05 -0.11 0.11 0.00 0.00 -0.09 -0.51 -0.08 0.19 0.15 -0.40 -0.13 0.13 0.32 0.01 0.01 0.03 -0.00 -0.02 0.01 -0.06 0.03 -0.07 -0.07 -0.01 0.04 -0.13 -0.01 -0.02 0.05 0.09 0.02 0.07 -0.01 0.05 0.02 -0.04 -0.01 0.03 0.01 -0.00 0.03 0.10 -0.06 0.11 0.03 0.02 -0.02 -0.04 -0.00 0.06 0.08 -0.04 -0.04 0.02 -0.04 -0.05 -0.04 0.04 -0.07 0.00 0.02 -0.01 0.13 0.09 -0.08 -0.02 0.04 0.06 0.01 -0.02 0.03 0.04 -0.10 0.14 -0.08 0.04 -0.01 -0.04 -0.03 0.04 -0.01 -0.01 0.06 -0.06 0.00 -0.03 0.06 0.04 -0.05 -0.02 0.05 0.08 -0.01 -0.01 -0.01 -0.02 0.11 -0.04 0.20 0.12 -0.01 0.01 -0.09 -0.03 -0.01 -0.05 -0.09 0.21 0.01 0.00 0.02 0.00 0.11 -0.17 -0.04 0.09 -0.02 0.04 -0.10 -0.01 -0.11 -0.04 -0.06 -0.06 -0.00 -0.14 -0.08 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.06 0.01 -0.06 -0.00 -0.08 -0.01 0.08 -0.09 -0.05 -0.02 0.08 0.11 -0.04 -0.08 0.05 -0.12 0.04 0.07 0.01 -0.03 0.21 -0.01 -0.02 0.15 0.09 -0.04 -0.11 -0.04 0.08 -0.17 -0.05 -0.04 -0.07 -0.05 -0.03 -0.03 -0.16 0.29 -0.00 0.01 0.07 0.00 0.03 -0.01 0.04 0.16 -0.27 -0.07 0.11 0.05 0.08 -0.14 -0.12 -0.22 -0.01 -0.20 -0.10 -0.07 -0.18 -0.13 -0.01 -0.05 0.01 -0.01 -0.05 0.01 -0.00 0.03 0.01 -0.05 0.04 -0.02 -0.03 -0.05 -0.02 -0.07 -0.02 -0.03 0.17 -0.13 -0.02 0.10 0.07 0.07 -0.05 0.02 -0.01 0.01 -0.00 0.01 0.06 0.07 -0.00 0.07 -0.09 0.02 0.02 0.06 0.04 -0.03 0.06 -0.01 0.07 0.02 0.00 0.02 -0.02 0.12 -0.04 -0.06 -0.02 -0.09 -0.04 -0.03 -0.14 -0.04 -0.03 -0.04 -0.05 -0.03 0.06 -0.05 -0.01 -0.03 0.05 0.01 -0.03 -0.01 -0.02 -0.00 0.04 -0.00 0.00 0.04 0.00 0.01 0.04 0.02 0.07 0.05 -0.02 -0.03 0.02 -0.02 0.06 0.09 -0.09 -0.04 -0.14 0.06 0.13 -0.17 -0.06 -0.01 0.13 0.05 -0.03 0.08 0.03 -0.05 0.16 0.10 -0.02 -0.08 0.29 0.05 -0.06 0.06 -0.15 -0.04 -0.04 -0.07 -0.07 0.01 -0.27 0.03 -0.22 -0.28 -0.06 0.17 -0.05 -0.05 -0.03 0.09 0.02 -0.04 0.05 -0.08 0.04 -0.05 0.09 0.01 -0.04 -0.04 -0.03 0.02 0.11 0.01 0.03 0.08 0.02 0.04 0.06 0.04 0.11 0.26 -0.08 -0.06 0.19 -0.11 -0.09 -0.18 0.07 0.01 0.05 -0.05 -0.00 0.06 -0.03 0.13 -0.01 -0.01 -0.04 0.06 0.00 -0.02 -0.05 0.12 0.07 -0.01 -0.03 -0.00 -0.04 -0.01 -0.06 -0.00 0.05 -0.06 0.04 0.05 -0.04 -0.01 0.06 0.02 0.02 -0.03 -0.01 -0.01 0.03 0.03 0.01 -0.07 0.03 0.05 -0.03 -0.11 -0.04 0.09 -0.10 -0.02 0.04 0.03 0.04 -0.00 0.05 -0.08 -0.01 0.05 -0.06 -0.04 0.06 -0.01 -0.02 -0.03 -0.02 0.00 -0.05 -0.00 -0.02 -0.01 -0.07 -0.02 0.07 0.04 -0.03 -0.02 0.02 -0.03 -0.08 -0.02 0.07 -0.01 0.06 0.06 -0.08 0.06 0.10 0.01 -0.05 0.18 -0.18 0.01 0.04 0.16 -0.03 -0.02 -0.00 0.02 -0.16 0.03 0.01 -0.15 -0.29 0.02 0.10 -0.05 -0.17 0.22 -0.19 0.09 -0.10 -0.21 -0.04 0.19 0.07 0.03 0.01 0.08 -0.09 -0.05 0.01 -0.07 -0.03 0.07 -0.09 -0.05 0.07 0.02 -0.02 -0.05 -0.07 0.02 -0.09 -0.02 -0.02 -0.05 -0.10 -0.01 0.12 0.32 -0.09 -0.05 0.26 -0.12 -0.09 -0.23 0.06 -0.02 -0.07 0.04 -0.02 0.03 -0.08 -0.11 -0.02 0.00 0.11 -0.06 -0.02 0.05 0.01 0.14 0.03 0.00 -0.02 0.01 -0.03 -0.00 -0.01 0.04 0.02 -0.07 0.07 -0.01 -0.07 0.01 0.15 -0.03 -0.00 0.02 0.05 0.00 0.03 -0.01 0.02 -0.12 0.03 0.00 -0.07 0.05 0.01 -0.04 0.05 0.02 -0.04 0.04 -0.02 -0.03 -0.02 0.07 0.01 0.02 -0.01 -0.02 0.03 -0.01 -0.02 -0.02 0.00 0.03 -0.06 0.04 -0.01 0.00 -0.03 0.00 -0.03 -0.01 0.02 0.01 -0.01 0.02 -0.01 0.03 0.05 -0.05 0.07 0.00 -0.07 0.07 -0.00 0.01 0.03 0.51 -0.45 -0.05 0.11 0.11 -0.00 -0.08 -0.07 0.02 -0.21 0.02 -0.01 -0.19 0.16 -0.00 -0.02 0.01 0.06 -0.11 0.11 -0.04 0.05 0.12 0.02 -0.12 0.09 -0.05 -0.01 -0.03 0.10 0.04 0.02 0.04 0.04 0.03 -0.01 -0.02 0.03 -0.01 -0.03 -0.03 -0.01 0.08 -0.11 0.06 -0.00 -0.01 -0.04 0.02 -0.06 -0.17 0.05 0.02 -0.17 0.07 0.04 0.14 -0.03 -0.01 -0.03 0.02 -0.01 -0.01 0.05 -0.01 -0.02 0.02 0.02 -0.00 -0.01 0.02 -0.01 0.16 0.03 0.01 -0.03 0.00 -0.02 -0.00 -0.03 0.02 0.03 -0.12 -0.08 -0.01 0.11 0.10 -0.08 -0.01 0.00 0.02 0.00 -0.01 0.04 -0.01 0.02 -0.11 -0.04 0.00 0.05 0.01 -0.00 0.00 0.01 0.01 -0.01 -0.05 0.02 0.00 -0.00 0.02 0.00 0.02 -0.00 -0.02 0.03 -0.00 -0.03 -0.01 0.02 -0.04 0.03 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.01 0.03 0.00 -0.20 -0.12 0.01 -0.03 -0.18 -0.03 0.02 0.04 -0.51 0.47 0.31 -0.05 0.16 0.12 -0.05 -0.04 0.00 -0.08 -0.02 0.02 -0.32 0.04 0.00 0.01 -0.00 0.00 -0.02 0.03 -0.00 0.01 0.03 0.01 -0.03 -0.10 0.06 -0.01 -0.01 0.03 0.01 0.01 0.01 0.01 0.03 0.00 -0.03 0.03 0.00 -0.03 0.00 0.04 -0.08 0.07 -0.01 -0.01 -0.02 -0.04 0.03 -0.01 -0.04 0.01 0.00 -0.04 0.01 0.01 0.03 -0.00 0.01 0.05 0.10 0.00 -0.00 0.00 -0.02 0.00 0.08 0.00 -0.00 0.00 -0.00 0.00 -0.05 -0.01 0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.04 0.01 -0.06 -0.01 -0.02 -0.01 0.01 -0.00 0.08 0.00 0.00 -0.01 -0.04 0.02 -0.09 0.00 -0.00 0.00 0.14 0.04 -0.05 -0.07 -0.01 0.07 0.00 -0.00 0.00 0.02 -0.11 -0.03 -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 0.01 0.00 0.06 -0.03 -0.01 -0.03 0.02 -0.01 0.01 -0.01 -0.00 -0.07 0.01 -0.08 -0.03 -0.00 -0.08 -0.01 -0.01 0.03 -0.03 -0.06 -0.01 0.00 0.01 -0.08 -0.05 0.03 -0.12 -0.04 0.02 -0.12 0.36 -0.14 -0.20 0.12 0.34 -0.20 -0.26 -0.03 -0.16 -0.21 0.08 0.29 0.00 -0.01 0.00 0.06 -0.24 -0.12 -0.11 -0.01 -0.14 -0.01 0.01 0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.09 0.15 -0.05 -0.07 0.23 -0.11 -0.10 -0.14 0.09 0.09 -0.03 0.01 -0.00 -0.07 -0.04 -0.18 -0.01 -0.14 -0.20 0.24 0.10 -0.02 0.11 0.10 -0.01 -0.06 -0.00 0.02 -0.12 -0.08 0.02 0.17 -0.01 0.06 -0.04 0.05 0.03 0.13 0.06 0.03 0.10 -0.07 -0.07 0.05 0.06 0.04 -0.03 0.12 0.01 -0.04 -0.04 0.15 0.00 -0.02 0.00 0.01 0.01 0.02 -0.09 -0.01 0.00 -0.02 -0.02 -0.02 -0.13 -0.04 0.00 -0.13 -0.03 0.04 0.01 0.04 0.02 0.03 0.02 0.03 -0.12 -0.09 0.02 -0.01 0.01 -0.02 0.00 0.01 0.04 0.19 -0.08 -0.02 -0.09 0.16 0.12 -0.11 -0.01 0.01 0.14 0.04 -0.01 0.18 0.05 -0.03 0.06 0.10 0.02 -0.07 0.23 0.07 -0.06 0.13 0.24 -0.07 -0.07 0.15 0.13 -0.07 -0.10 -0.04 -0.09 -0.06 0.09 0.12 0.06 -0.11 -0.00 0.02 -0.09 -0.06 -0.06 0.02 -0.06 -0.02 -0.20 -0.03 -0.03 -0.17 -0.04 0.06 0.07 0.08 0.01 0.08 0.04 0.06 -0.10 -0.10 0.03 -0.01 0.00 -0.04 0.02 -0.03 -0.04 0.00 0.05 -0.03 -0.01 0.03 -0.00 -0.05 -0.01 0.10 -0.03 0.09 -0.01 0.04 0.03 0.00 0.09 -0.10 -0.00 -0.02 0.01 0.00 -0.02 -0.02 0.02 0.09 0.00 -0.04 -0.03 -0.04 0.00 0.04 0.02 -0.00 0.02 0.08 0.00 0.04 -0.02 -0.04 0.01 -0.06 0.00 -0.02 -0.01 -0.03 -0.04 0.01 -0.05 -0.04 0.03 0.00 -0.05 -0.00 0.00 0.04 0.10 -0.00 -0.04 -0.00 -0.00 -0.03 0.00 0.02 0.01 0.02 0.02 0.01 0.01 0.01 -0.03 -0.03 -0.11 0.04 -0.09 0.10 -0.01 -0.10 0.04 0.10 -0.03 -0.17 -0.09 0.01 0.05 -0.14 -0.14 -0.00 0.10 0.12 -0.09 -0.05 0.01 -0.00 0.05 -0.04 -0.06 -0.00 -0.04 -0.03 -0.00 -0.11 -0.02 -0.05 0.01 -0.03 -0.02 0.01 -0.08 -0.04 -0.01 -0.09 -0.07 0.07 0.01 -0.07 -0.00 -0.10 0.32 0.31 0.30 -0.09 0.24 -0.00 -0.07 0.00 -0.01 -0.04 0.01 0.04 0.05 0.04 0.02 0.04 0.02 0.02 -0.02 -0.04 -0.11 0.09 -0.08 0.26 0.01 0.14 0.24 -0.09 -0.34 -0.04 -0.02 0.00 -0.00 -0.05 -0.01 0.12 -0.04 0.09 0.00 0.02 0.02 0.00 0.09 -0.11 0.00 -0.01 0.01 0.00 -0.02 -0.01 0.01 0.09 0.01 -0.03 -0.03 -0.03 0.00 0.04 0.02 -0.01 0.02 0.07 0.01 0.03 -0.03 -0.03 0.01 -0.04 0.00 -0.02 -0.01 -0.07 -0.02 0.01 0.04 0.03 -0.10 -0.00 -0.05 -0.00 -0.00 0.01 -0.10 0.00 -0.04 -0.00 0.00 -0.02 0.01 0.02 0.01 0.02 0.01 0.01 0.01 0.01 -0.02 -0.02 0.10 -0.01 0.10 -0.10 0.01 0.11 0.03 0.10 -0.03 -0.17 -0.10 0.03 0.05 -0.14 -0.13 -0.00 0.10 0.13 -0.10 -0.06 0.01 0.01 0.05 -0.03 -0.05 -0.00 -0.03 -0.03 -0.00 -0.10 -0.15 0.09 0.12 -0.09 -0.19 0.05 0.12 0.05 -0.01 0.11 0.03 -0.19 0.01 -0.07 -0.00 0.09 -0.15 -0.28 -0.24 0.07 -0.14 0.01 -0.06 -0.00 -0.00 -0.02 0.02 0.04 0.05 0.03 0.02 0.04 0.02 0.01 -0.02 -0.03 0.08 -0.15 0.10 -0.26 -0.14 -0.11 -0.23 0.17 0.34 0.03 -0.09 -0.06 -0.00 -0.02 0.00 -0.01 -0.02 -0.09 -0.00 -0.15 -0.07 -0.07 0.04 -0.15 0.06 -0.00 0.01 -0.01 0.05 0.04 -0.12 0.16 0.07 -0.13 -0.04 0.18 -0.01 -0.01 -0.02 -0.01 0.08 -0.06 -0.05 -0.05 -0.06 0.03 -0.03 0.06 0.00 0.01 0.00 0.06 0.06 0.02 0.03 0.04 0.10 -0.01 -0.02 0.00 0.01 -0.03 0.02 0.11 0.02 -0.02 0.08 0.09 0.02 0.01 0.01 0.01 0.01 -0.00 0.00 -0.03 -0.01 0.04 -0.00 -0.03 -0.01 0.01 0.00 -0.02 -0.17 0.14 0.08 -0.31 -0.17 0.36 0.04 -0.25 0.08 0.00 0.02 0.09 -0.09 -0.13 -0.02 0.21 -0.01 0.13 -0.00 -0.02 0.00 0.02 -0.02 -0.10 0.15 -0.02 -0.04 0.09 0.20 0.00 0.06 0.04 0.14 0.06 0.01 0.05 -0.00 -0.03 0.00 -0.01 -0.13 0.01 -0.02 0.05 -0.09 0.16 0.03 -0.06 0.14 0.18 0.01 0.02 0.02 0.00 0.01 -0.00 0.01 -0.12 -0.06 0.05 0.01 0.05 -0.02 0.02 0.11 -0.01 0.01 -0.07 -0.02 -0.10 -0.10 -0.09 -0.01 -0.02 -0.01 0.04 0.01 0.02 0.03 0.03 0.01 0.02 0.04 0.03 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.01 -0.03 -0.02 0.04 0.00 -0.04 0.02 0.06 0.03 -0.06 -0.09 -0.02 0.02 0.04 0.01 0.00 0.00 0.00 0.00 0.01 -0.00 -0.12 0.18 -0.03 0.03 0.06 0.16 -0.00 -0.02 -0.01 0.01 -0.07 0.03 -0.02 -0.02 -0.00 -0.01 -0.03 -0.00 0.01 0.01 0.01 0.00 0.01 0.00 0.01 -0.01 -0.02 0.01 -0.07 -0.01 0.01 0.01 -0.02 0.09 -0.01 -0.00 0.08 0.03 -0.06 0.00 0.05 -0.01 0.01 0.06 0.01 0.01 0.08 0.03 -0.05 0.01 -0.02 0.01 -0.00 0.03 0.00 0.00 0.04 0.07 0.04 -0.15 -0.07 0.41 -0.07 0.25 0.14 0.41 0.19 -0.16 -0.13 0.00 -0.02 -0.00 -0.01 -0.24 0.01 -0.02 0.08 -0.18 -0.03 -0.04 0.01 -0.03 -0.05 0.00 0.01 0.03 0.02 0.01 0.03 0.01 0.03 -0.00 -0.03 0.04 0.15 -0.04 0.03 0.31 -0.04 -0.01 -0.19 -0.01 0.01 -0.00 -0.04 0.02 0.06 0.03 -0.05 0.01 -0.04 0.15 0.14 0.08 0.08 -0.06 -0.10 0.00 0.05 -0.06 0.02 -0.04 -0.04 -0.03 0.01 0.09 -0.15 -0.01 0.16 -0.02 -0.12 -0.08 0.01 0.01 -0.02 0.18 0.08 -0.02 0.00 -0.01 0.00 -0.02 -0.04 -0.00 -0.01 0.01 -0.00 0.00 0.01 0.01 0.01 0.06 0.02 0.00 -0.00 0.00 -0.17 -0.04 0.08 -0.12 -0.10 0.01 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 0.06 0.05 -0.06 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.09 -0.04 0.19 -0.27 -0.08 0.22 -0.04 -0.15 0.07 -0.05 -0.04 -0.02 -0.04 -0.19 -0.08 0.26 -0.06 0.09 -0.03 0.02 -0.15 -0.01 0.00 -0.17 -0.03 0.01 -0.01 0.01 0.01 0.02 0.02 0.01 0.03 0.02 -0.01 -0.01 0.00 0.08 0.02 -0.00 -0.02 0.00 0.00 0.01 -0.01 -0.29 -0.10 0.20 -0.24 -0.23 0.07 -0.03 -0.06 -0.04 -0.02 -0.10 -0.03 0.18 0.12 -0.09 0.00 0.01 -0.00 0.00 0.03 -0.00 0.00 -0.02 -0.00 -0.04 -0.14 0.02 0.02 0.10 0.03 0.09 -0.13 0.01 -0.03 0.04 -0.00 0.05 -0.12 0.08 -0.00 -0.00 -0.02 0.00 0.01 0.00 -0.05 0.18 -0.09 0.11 0.00 -0.12 -0.01 -0.17 -0.03 -0.05 0.31 0.07 0.03 -0.08 0.04 0.00 0.00 0.01 -0.04 -0.11 -0.02 -0.00 0.01 0.01 0.00 0.02 0.03 0.02 0.09 0.01 0.00 0.01 0.00 -0.02 0.03 0.01 -0.03 0.01 -0.02 -0.02 -0.00 -0.02 -0.03 -0.03 -0.02 -0.00 0.03 0.02 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.36 0.15 -0.38 0.04 -0.05 -0.02 0.15 -0.04 -0.15 -0.04 -0.13 -0.05 -0.00 -0.11 -0.03 -0.24 0.09 -0.08 -0.00 -0.04 0.17 0.03 -0.03 0.15 0.17 -0.05 -0.00 -0.01 0.15 -0.06 0.06 0.04 0.10 0.05 -0.01 -0.05 0.02 0.16 0.03 0.00 -0.01 -0.00 0.01 0.03 -0.03 -0.04 0.06 0.02 -0.03 0.00 -0.01 -0.06 -0.10 -0.04 -0.05 -0.13 -0.05 0.00 0.03 0.03 0.01 0.02 -0.01 -0.00 0.05 -0.01 -0.01 -0.03 0.01 -0.00 0.00 0.00 0.05 0.13 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 0.01 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 -0.05 -0.15 -0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.09 0.23 0.07 -0.08 -0.20 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.16 -0.41 -0.14 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 0.13 0.32 0.11 -0.25 -0.62 -0.20 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.05 -0.06 -0.03 0.03 -0.01 -0.00 -0.05 -0.08 -0.03 -0.03 -0.03 0.03 0.19 0.09 -0.16 -0.06 0.01 0.08 -0.05 -0.00 -0.03 0.02 -0.01 -0.02 0.08 0.02 0.07 -0.02 0.04 -0.00 -0.05 -0.03 -0.09 0.01 0.00 0.01 0.07 0.11 0.06 0.02 -0.01 0.01 0.01 -0.01 0.02 -0.03 -0.06 -0.05 0.00 0.00 0.00 -0.08 -0.11 0.16 -0.03 0.02 0.09 -0.02 0.04 -0.02 -0.02 0.03 -0.01 0.11 0.09 -0.11 0.01 0.03 -0.01 0.00 -0.00 -0.01 -0.08 -0.00 -0.09 0.08 0.02 -0.04 -0.02 0.05 0.03 0.12 -0.08 0.06 0.11 0.02 0.07 -0.06 0.02 -0.02 0.03 -0.00 0.06 -0.00 0.01 0.04 0.05 -0.03 -0.00 0.01 0.02 -0.01 -0.03 -0.00 -0.02 -0.02 0.01 0.07 -0.09 -0.12 -0.08 0.00 -0.06 -0.01 -0.06 0.02 -0.00 -0.36 -0.30 0.43 -0.12 -0.02 0.21 0.01 0.11 0.03 0.02 0.10 0.01 0.19 0.14 -0.25 0.01 -0.05 -0.01 -0.01 -0.13 -0.00 0.01 0.08 -0.02 0.03 0.01 0.01 -0.01 -0.00 -0.00 -0.02 -0.00 0.00 -0.02 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 0.02 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.01 -0.01 -0.00 0.04 -0.11 -0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.05 -0.15 0.04 -0.01 0.02 0.05 0.02 0.00 0.01 -0.02 -0.01 -0.00 0.01 -0.01 -0.02 0.02 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.10 0.09 0.01 -0.10 0.03 0.08 -0.01 0.01 0.08 0.08 -0.21 -0.01 -0.01 -0.01 -0.01 0.31 0.06 0.32 -0.08 0.03 -0.03 -0.02 0.04 -0.00 0.01 0.01 -0.00 0.01 0.00 0.00 0.01 -0.00 0.01 0.01 -0.02 -0.04 0.25 0.08 0.04 0.65 0.02 -0.05 -0.38 0.08 -0.00 -0.02 -0.00 -0.10 -0.08 -0.03 0.01 -0.01 -0.00 0.00 0.07 0.02 0.04 -0.08 -0.03 -0.02 -0.01 0.01 0.14 0.10 -0.14 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.16 -0.09 0.08 -0.00 0.05 0.00 0.06 -0.04 -0.00 0.00 0.00 0.00 0.13 0.18 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 -0.05 -0.06 -0.09 0.00 0.00 0.00 0.04 0.07 -0.06 -0.12 -0.07 0.06 -0.06 0.06 -0.05 -0.05 0.06 -0.03 -0.12 -0.06 0.12 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.11 -0.04 -0.02 -0.02 -0.01 0.01 0.00 -0.02 0.01 0.23 -0.18 0.16 0.18 -0.19 0.09 0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.02 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.20 -0.17 -0.17 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.10 0.14 -0.13 -0.22 -0.15 0.14 -0.02 0.17 0.02 0.06 0.19 0.01 -0.28 -0.17 0.30 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.06 0.05 0.02 -0.00 0.01 0.00 -0.02 -0.08 -0.02 -0.04 0.05 0.04 0.13 0.07 -0.10 0.15 0.13 -0.13 0.01 0.01 -0.00 0.02 -0.00 -0.02 -0.10 0.08 -0.04 0.00 -0.03 -0.00 -0.06 0.03 -0.07 -0.00 -0.00 -0.00 -0.08 -0.11 -0.07 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.03 0.05 -0.00 -0.00 -0.00 0.05 -0.03 0.01 -0.14 -0.09 0.19 0.04 -0.04 0.03 0.03 -0.03 0.02 -0.08 -0.07 0.07 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.07 0.02 0.02 0.04 0.01 -0.02 -0.00 0.03 -0.01 -0.14 0.12 -0.11 -0.10 0.16 -0.04 -0.03 0.01 -0.01 0.01 -0.01 0.02 -0.01 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.13 0.11 0.11 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.08 -0.15 0.14 -0.36 -0.23 0.39 0.01 -0.10 -0.01 -0.04 -0.12 -0.01 -0.32 -0.22 0.23 -0.00 0.01 0.00 0.00 0.02 0.00 -0.00 -0.01 0.00 0.03 0.02 -0.05 -0.03 0.06 0.02 -0.08 0.02 0.03 -0.16 -0.01 0.02 0.09 -0.01 0.02 0.01 -0.04 -0.01 -0.02 0.04 0.03 0.19 0.09 0.08 0.01 0.04 0.00 0.14 -0.07 0.08 0.08 -0.10 0.03 -0.03 -0.10 -0.12 -0.02 0.01 -0.03 -0.01 -0.15 -0.00 -0.09 0.04 -0.04 -0.03 -0.02 0.02 0.02 0.05 -0.04 0.00 -0.01 0.01 0.03 0.00 0.03 -0.01 0.03 0.00 -0.05 0.02 -0.04 -0.04 0.03 -0.03 0.00 0.04 0.01 0.02 0.03 -0.01 0.00 -0.00 -0.01 0.28 0.08 0.27 -0.33 -0.11 0.06 0.22 -0.24 -0.24 0.11 0.01 0.13 0.09 -0.14 0.08 0.04 -0.07 -0.01 -0.15 -0.01 -0.15 0.07 -0.10 -0.02 -0.15 0.04 -0.07 -0.02 0.03 0.05 0.05 0.02 0.10 0.01 -0.14 -0.07 -0.01 0.19 -0.03 0.01 -0.08 -0.02 -0.08 0.01 -0.01 -0.01 0.03 0.06 0.01 0.08 0.03 -0.09 -0.09 -0.03 -0.06 -0.12 -0.08 -0.02 0.02 -0.01 0.02 -0.04 -0.02 -0.01 -0.12 -0.02 0.01 0.07 -0.01 0.02 0.00 -0.02 0.02 0.02 0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.03 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.05 0.03 0.02 0.02 0.02 -0.01 -0.05 -0.01 -0.05 0.02 -0.00 0.02 -0.00 -0.05 0.09 -0.00 0.00 -0.01 0.00 0.06 0.00 -0.02 0.01 -0.01 -0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.02 -0.02 -0.01 -0.00 -0.01 -0.00 -0.04 0.00 -0.03 -0.12 -0.02 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 0.02 0.05 -0.10 -0.03 0.01 0.09 -0.08 -0.07 -0.03 -0.01 -0.01 -0.09 -0.02 -0.05 -0.02 -0.02 -0.02 -0.06 -0.01 -0.04 0.03 -0.04 0.02 -0.04 0.02 -0.02 0.01 0.01 0.02 0.02 0.00 0.03 0.01 -0.04 -0.03 0.04 0.08 0.05 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.18 -0.10 0.16 -0.00 0.00 -0.02 0.22 0.52 0.15 0.24 0.59 0.20 -0.08 -0.05 0.09 0.01 -0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.03 0.00 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 0.03 -0.10 -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 -0.06 -0.06 0.08 0.02 0.01 0.00 -0.01 -0.02 -0.01 -0.02 -0.05 -0.02 -0.03 -0.03 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.02 0.04 0.01 -0.01 -0.03 0.03 0.02 -0.00 0.00 -0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.02 0.01 0.01 -0.02 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 0.04 0.11 0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.50 0.34 -0.47 -0.08 -0.04 0.09 0.10 0.25 0.08 0.10 0.27 0.09 0.26 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.00 -0.05 -0.01 -0.03 0.00 0.02 -0.01 0.00 -0.08 -0.01 -0.00 -0.03 0.07 0.04 -0.08 0.02 0.01 -0.00 0.05 0.05 0.03 0.03 0.03 -0.02 -0.06 -0.00 -0.07 0.03 -0.02 0.02 -0.01 -0.11 0.25 -0.00 0.01 -0.01 0.00 0.08 0.00 -0.02 0.02 -0.02 -0.01 -0.00 0.00 -0.01 -0.00 0.03 -0.00 -0.00 0.01 -0.08 -0.02 0.05 -0.01 0.01 -0.02 0.03 0.01 0.02 0.05 0.05 0.03 -0.02 -0.02 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.07 0.04 0.09 -0.16 -0.06 0.02 0.16 -0.13 -0.11 -0.04 -0.01 0.01 -0.12 -0.04 -0.07 -0.05 -0.02 -0.03 -0.10 -0.02 -0.05 0.06 -0.07 0.05 -0.06 0.03 -0.02 0.01 -0.01 0.03 0.02 0.00 0.03 0.01 -0.04 -0.03 -0.08 -0.25 -0.05 0.00 -0.02 -0.00 -0.02 0.00 -0.00 0.29 0.29 -0.32 -0.17 -0.12 0.10 -0.09 -0.28 -0.11 -0.08 -0.27 -0.07 0.23 0.16 -0.19 0.01 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.00 -0.07 0.03 0.07 -0.01 0.09 0.02 0.08 0.05 -0.03 0.02 0.02 -0.07 -0.02 0.06 -0.10 0.04 0.04 -0.04 0.01 -0.01 -0.00 -0.13 0.02 -0.06 -0.01 0.00 0.00 0.17 0.03 0.16 -0.09 -0.15 -0.09 -0.01 -0.07 0.25 0.03 -0.01 0.02 -0.02 -0.22 -0.01 0.07 -0.03 0.03 0.05 0.02 -0.02 0.03 0.01 -0.06 0.01 0.00 -0.01 -0.04 0.01 -0.01 -0.02 -0.01 -0.01 -0.05 0.00 -0.05 -0.07 -0.01 -0.05 -0.01 -0.01 0.01 -0.03 -0.02 0.01 -0.01 0.00 0.02 -0.02 0.04 0.00 -0.02 -0.01 0.05 0.02 -0.02 0.08 0.13 0.07 0.09 0.20 -0.06 0.17 -0.04 0.01 0.00 0.01 -0.02 0.07 0.04 -0.02 0.09 0.11 -0.01 0.07 -0.04 -0.07 -0.09 -0.09 -0.01 -0.19 -0.06 0.13 0.17 0.15 0.53 0.07 -0.01 -0.01 0.03 0.04 0.00 -0.01 0.00 0.06 -0.05 -0.07 -0.07 0.01 0.04 0.24 0.12 0.02 0.10 -0.02 0.07 0.04 -0.02 -0.03 0.01 0.02 0.02 0.07 0.05 0.01 -0.03 -0.02 0.01 0.02 0.13 0.00 -0.00 -0.00 0.05 0.02 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.01 0.01 0.02 -0.00 -0.00 -0.01 0.01 -0.03 -0.06 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.05 -0.03 0.05 -0.12 -0.05 -0.00 -0.00 0.00 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 0.08 0.03 -0.01 0.02 -0.00 -0.02 0.02 0.00 0.03 -0.06 -0.01 0.02 0.03 -0.04 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 -0.03 0.02 -0.03 -0.01 -0.02 0.03 -0.03 0.02 0.26 -0.27 -0.15 -0.03 0.39 -0.09 0.18 -0.04 0.36 0.17 -0.04 -0.39 -0.01 -0.02 -0.00 0.01 0.34 -0.06 0.12 -0.14 0.13 0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 -0.01 0.05 -0.01 0.04 -0.09 -0.08 -0.18 -0.07 0.04 0.14 0.06 -0.02 -0.06 0.00 0.02 0.01 -0.06 -0.04 0.02 -0.02 0.00 -0.03 0.00 0.03 -0.08 0.01 0.00 -0.02 0.00 0.00 0.00 0.05 -0.08 0.03 -0.05 -0.08 0.03 0.04 0.06 0.05 0.06 0.13 0.07 -0.01 -0.05 0.08 -0.03 -0.01 -0.01 -0.01 -0.05 -0.01 -0.03 0.01 -0.01 -0.05 -0.02 0.02 -0.00 -0.01 -0.02 -0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.01 0.01 -0.00 -0.01 0.02 -0.06 -0.13 0.41 0.14 -0.07 -0.37 0.32 0.09 0.04 0.08 0.09 -0.00 -0.01 0.04 0.14 0.10 0.05 0.24 0.07 0.08 -0.22 0.21 -0.23 -0.06 -0.02 -0.06 0.06 0.07 0.08 0.09 -0.01 0.18 0.07 -0.07 -0.17 0.07 0.20 0.05 0.01 0.07 -0.02 -0.00 -0.02 0.03 -0.02 0.01 0.01 -0.04 -0.02 0.02 0.01 0.05 0.03 -0.02 -0.05 -0.02 0.01 0.01 0.01 0.03 -0.01 -0.00 -0.03 -0.05 -0.07 -0.02 0.02 0.04 0.01 0.00 -0.03 0.01 0.00 -0.00 -0.02 -0.01 0.01 0.02 -0.00 0.00 -0.02 -0.02 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.03 0.01 0.02 0.03 -0.01 -0.02 0.00 -0.01 0.01 0.03 0.02 -0.00 0.03 -0.01 0.00 0.02 -0.00 0.01 0.04 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.05 -0.11 -0.03 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.04 -0.01 0.03 0.06 0.03 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.05 -0.04 0.01 -0.17 -0.04 -0.05 0.15 -0.13 0.01 0.00 -0.05 -0.04 0.02 0.01 -0.00 -0.06 -0.07 -0.03 -0.14 -0.02 -0.08 0.11 -0.11 0.10 -0.03 -0.02 -0.02 0.03 -0.01 0.03 0.02 -0.03 0.06 0.02 0.01 -0.03 0.25 0.64 0.22 -0.00 0.03 -0.01 0.00 0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.01 0.01 0.11 0.27 0.08 -0.16 -0.38 -0.12 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.02 0.01 -0.04 -0.01 0.00 0.02 -0.04 -0.03 0.12 -0.00 -0.01 0.01 0.06 0.02 -0.06 -0.06 0.02 0.01 0.09 -0.04 0.01 0.01 -0.05 -0.02 -0.01 0.03 0.01 0.05 0.03 -0.03 -0.04 -0.02 0.03 -0.02 0.07 -0.08 -0.01 -0.02 -0.06 0.04 -0.12 -0.03 -0.01 -0.02 0.02 -0.01 0.07 -0.02 -0.05 0.09 -0.01 0.04 0.01 -0.09 -0.05 -0.06 0.02 0.06 -0.10 0.01 0.02 0.01 0.03 -0.04 0.01 -0.02 0.01 -0.03 0.01 0.05 0.02 0.03 -0.00 0.03 0.02 -0.06 0.03 0.01 -0.03 0.00 0.03 0.03 0.02 -0.00 0.15 0.05 0.06 -0.18 0.14 -0.01 0.02 0.13 0.20 -0.30 -0.03 -0.11 0.15 0.04 0.08 0.15 0.03 0.05 -0.12 0.11 -0.15 0.11 0.13 0.09 -0.12 0.09 -0.10 -0.04 0.14 -0.23 -0.09 -0.10 0.06 0.11 0.30 0.15 0.01 -0.14 0.06 0.01 -0.12 0.05 -0.01 0.08 0.04 0.01 0.07 -0.04 0.09 0.17 -0.02 -0.04 -0.23 -0.05 -0.01 0.03 0.00 -0.05 -0.03 -0.02 0.07 -0.09 0.21 0.07 0.02 -0.12 -0.07 0.03 -0.05 -0.01 -0.01 0.02 0.01 0.02 0.02 -0.04 0.02 0.01 0.08 -0.03 0.02 0.00 -0.05 -0.02 -0.01 0.02 0.01 0.01 0.06 -0.01 -0.01 -0.02 -0.00 -0.00 0.05 -0.07 -0.05 -0.08 -0.02 0.05 -0.10 -0.03 -0.00 -0.02 0.00 -0.01 0.04 -0.02 0.05 -0.18 -0.00 0.02 0.02 0.14 -0.03 -0.01 0.02 -0.05 0.20 -0.00 0.02 0.01 0.02 -0.04 0.01 -0.02 0.01 -0.01 0.00 0.03 -0.00 0.02 0.00 0.03 0.02 0.05 -0.07 -0.01 0.03 -0.01 -0.03 0.00 0.05 0.03 0.14 0.02 0.08 -0.11 0.10 -0.06 0.03 0.12 0.19 -0.25 -0.03 -0.09 0.03 0.08 0.02 0.15 0.01 0.10 -0.10 0.10 -0.08 -0.05 -0.25 -0.12 -0.01 -0.19 -0.09 -0.04 -0.19 0.13 0.04 0.21 0.16 0.01 0.06 0.05 -0.01 0.07 -0.09 -0.06 0.34 -0.19 -0.01 0.07 0.03 0.01 0.07 -0.04 0.04 0.05 -0.04 0.02 -0.07 -0.00 -0.01 0.02 0.00 0.05 0.05 0.01 -0.05 0.26 -0.21 -0.06 -0.07 0.11 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 -0.02 0.02 0.01 -0.03 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.02 -0.03 -0.08 -0.06 0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.06 -0.04 0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.11 -0.08 0.10 0.52 0.37 -0.43 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.40 0.27 -0.35 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.03 -0.02 -0.02 0.00 0.02 -0.02 0.02 0.03 0.02 -0.01 -0.00 -0.04 0.03 0.05 -0.00 0.04 0.01 0.01 -0.01 -0.00 -0.01 0.17 0.03 0.02 -0.05 -0.03 -0.02 -0.16 -0.04 0.00 -0.12 -0.00 -0.02 0.06 0.01 -0.01 -0.04 -0.04 0.03 0.02 0.03 0.01 0.03 0.01 -0.01 -0.01 -0.01 0.01 -0.02 -0.02 -0.01 -0.03 -0.00 -0.00 -0.01 -0.02 0.02 -0.01 0.01 -0.01 -0.03 -0.02 0.00 0.04 -0.01 -0.00 -0.03 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.08 0.18 0.10 0.32 0.01 0.24 -0.18 0.18 -0.16 -0.01 -0.20 -0.06 0.05 -0.08 -0.03 -0.12 0.25 -0.07 0.33 0.01 0.32 -0.23 0.23 -0.10 -0.02 0.04 0.01 0.05 0.02 0.06 0.02 0.00 0.03 0.02 -0.00 -0.06 0.02 0.08 0.01 -0.01 0.04 0.02 0.03 -0.08 0.06 -0.00 -0.07 -0.01 0.01 -0.03 -0.00 0.07 0.18 0.09 -0.04 -0.17 -0.08 0.05 0.01 -0.05 -0.00 -0.01 0.01 -0.02 -0.06 -0.02 -0.01 0.01 0.02 -0.00 -0.01 0.04 0.00 -0.00 -0.00 0.01 0.00 -0.03 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.02 0.00 0.02 0.01 0.01 0.02 0.04 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.02 0.00 0.01 0.02 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.03 -0.02 -0.03 0.01 0.00 0.01 0.01 0.01 -0.00 0.01 0.04 0.01 0.05 0.03 -0.06 0.06 0.05 -0.05 -0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.07 -0.07 0.07 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.06 -0.01 0.01 -0.01 0.01 -0.03 -0.02 0.01 -0.01 -0.01 -0.03 -0.03 0.04 -0.01 0.01 0.06 -0.02 0.03 -0.01 0.01 -0.04 -0.00 -0.00 -0.03 0.01 -0.02 -0.01 -0.06 -0.02 -0.06 -0.02 -0.02 -0.02 -0.02 -0.04 0.04 -0.01 -0.04 -0.02 0.02 -0.07 -0.03 -0.07 0.11 -0.07 -0.26 -0.22 0.24 -0.39 -0.30 0.31 0.03 0.08 0.03 -0.02 -0.05 -0.02 0.39 0.25 -0.39 0.01 0.00 -0.03 0.02 0.07 0.02 0.01 -0.01 -0.03 0.00 -0.02 0.07 0.01 -0.00 -0.02 0.02 0.00 -0.03 -0.00 -0.01 -0.01 -0.02 0.02 -0.01 0.01 0.02 -0.00 0.00 -0.01 -0.00 0.06 -0.01 -0.00 -0.02 0.00 0.01 -0.01 -0.04 0.03 0.02 0.03 -0.01 -0.02 0.02 0.02 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.06 -0.02 -0.05 0.01 -0.00 0.01 0.03 0.06 0.01 0.01 0.07 0.03 -0.03 -0.01 0.01 -0.01 -0.02 0.03 -0.05 -0.09 -0.03 0.01 0.06 0.02 0.03 0.01 -0.03 -0.00 -0.03 -0.00 -0.01 -0.01 -0.01 0.08 0.00 -0.02 -0.01 0.02 -0.04 -0.03 0.02 -0.01 -0.04 -0.04 -0.10 0.13 0.00 0.04 0.10 -0.04 0.05 -0.01 0.02 -0.06 -0.00 -0.00 -0.05 -0.01 -0.00 -0.01 -0.09 -0.05 -0.08 -0.03 -0.05 -0.02 -0.04 -0.09 0.05 -0.12 -0.34 -0.12 0.04 -0.14 -0.06 -0.14 0.19 -0.11 0.10 0.06 -0.11 0.16 0.10 -0.12 0.19 0.52 0.18 -0.15 -0.29 -0.09 -0.14 -0.11 0.14 0.03 0.01 -0.06 0.04 0.13 0.03 0.03 -0.02 -0.06 -0.01 0.02 -0.09 0.00 0.00 0.00 -0.02 -0.00 0.04 -0.00 0.02 0.01 0.03 -0.02 -0.01 -0.00 -0.03 -0.00 -0.01 0.01 0.00 -0.06 -0.01 -0.01 0.01 0.00 -0.01 0.02 0.07 0.00 -0.03 -0.02 0.02 0.03 -0.04 -0.02 0.01 0.01 -0.01 -0.02 -0.02 -0.02 0.07 0.02 0.06 -0.01 0.00 -0.00 0.02 0.07 0.04 -0.02 -0.08 -0.04 0.02 0.01 0.00 -0.00 0.01 -0.03 -0.03 -0.09 -0.03 0.02 0.04 0.02 -0.02 0.00 0.03 0.00 0.04 0.00 0.01 0.01 0.01 -0.11 -0.03 -0.01 -0.04 -0.02 -0.00 0.05 -0.04 0.05 0.02 0.12 0.08 -0.08 0.03 -0.01 -0.08 -0.00 -0.04 -0.04 -0.02 0.01 0.04 -0.04 0.07 0.01 -0.00 0.01 0.10 0.06 0.09 0.03 0.06 0.02 0.05 0.12 -0.04 -0.15 -0.42 -0.12 -0.05 0.17 0.07 0.17 -0.22 0.13 -0.06 -0.01 0.08 -0.11 -0.05 0.07 0.20 0.49 0.12 -0.09 -0.26 -0.08 0.08 0.07 -0.08 -0.04 -0.01 0.07 -0.04 -0.15 -0.04 -0.03 0.02 0.08 0.00 -0.01 0.01 -0.23 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 -0.02 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.07 -0.01 0.10 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.07 0.23 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.37 -0.14 -0.02 0.00 0.11 -0.34 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 0.00 -0.03 0.01 -0.01 0.03 0.01 0.03 0.07 -0.03 -0.04 0.02 0.01 -0.02 0.00 -0.04 0.00 -0.03 0.03 -0.02 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 -0.40 0.10 0.08 0.00 -0.02 -0.01 -0.02 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.35 -0.19 0.29 -0.02 0.11 -0.36 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.02 -0.03 -0.00 0.05 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 0.01 -0.12 0.04 -0.08 0.17 0.20 0.32 0.02 -0.03 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.04 -0.01 0.02 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.02 0.00 -0.02 0.02 0.01 0.01 0.01 0.02 0.00 -0.02 0.01 -0.01 -0.03 -0.10 -0.12 -0.19 -0.11 0.14 0.02 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.18 -0.27 -0.04 -0.02 0.01 0.01 -0.01 0.01 0.02 0.02 -0.02 -0.01 -0.02 0.01 -0.05 0.00 -0.00 0.00 0.05 -0.00 0.08 -0.11 -0.02 -0.05 0.04 -0.03 0.02 -0.03 0.01 -0.05 0.02 -0.02 -0.01 0.03 -0.08 -0.05 -0.00 0.05 -0.02 0.01 0.08 -0.02 0.01 0.06 0.04 0.03 -0.02 -0.02 0.00 0.05 0.01 0.09 -0.04 -0.01 -0.23 0.20 -0.15 -0.02 -0.03 -0.34 -0.01 0.01 0.03 0.10 -0.04 -0.01 -0.09 -0.44 -0.24 -0.03 0.01 0.03 0.01 -0.04 0.05 0.00 -0.01 -0.00 0.04 -0.01 0.03 -0.13 -0.01 0.21 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.03 0.01 0.03 0.01 -0.01 -0.03 -0.03 -0.05 -0.03 -0.01 0.01 0.00 -0.00 0.06 0.04 -0.13 0.00 0.01 0.00 -0.03 0.04 0.01 0.01 0.01 -0.00 0.07 -0.03 -0.07 0.00 0.05 -0.03 -0.03 -0.02 -0.03 0.09 0.01 -0.08 -0.03 0.02 0.07 -0.01 0.01 -0.00 0.03 -0.01 0.02 -0.03 0.02 -0.04 0.02 -0.01 -0.00 -0.01 0.01 -0.01 0.04 -0.02 -0.01 0.02 -0.01 -0.03 -0.03 -0.02 -0.04 -0.03 0.00 -0.05 0.04 -0.03 0.10 0.20 0.02 0.33 -0.45 -0.03 -0.18 -0.07 -0.03 -0.03 -0.07 -0.02 -0.02 0.06 -0.05 0.08 -0.05 0.17 0.10 0.01 -0.09 0.05 -0.01 -0.16 0.03 -0.01 -0.11 -0.07 0.11 -0.10 -0.10 -0.01 -0.10 -0.00 -0.17 0.06 0.03 0.02 -0.04 -0.02 0.03 -0.01 0.03 -0.04 0.03 0.14 0.41 -0.17 -0.06 0.01 0.02 0.03 0.06 -0.01 -0.04 -0.02 0.08 -0.12 -0.01 0.02 0.02 0.06 -0.00 0.05 0.05 0.00 -0.07 0.00 0.01 0.01 0.01 0.02 0.01 0.02 -0.03 -0.01 -0.02 -0.03 -0.02 0.01 0.04 0.04 -0.09 0.03 -0.04 -0.00 -0.00 -0.00 -0.00 0.04 0.05 0.01 -0.05 0.00 0.04 -0.04 -0.03 0.02 -0.01 -0.01 -0.03 0.00 0.01 0.02 0.11 -0.05 -0.06 -0.04 -0.06 -0.04 0.01 0.04 -0.08 0.02 0.14 0.01 -0.01 -0.01 -0.03 0.03 -0.02 0.01 -0.01 0.01 0.00 -0.00 0.01 0.02 -0.02 0.01 0.08 -0.03 -0.02 0.05 -0.02 -0.07 -0.17 -0.00 -0.01 0.01 -0.02 0.09 0.02 -0.02 0.07 -0.04 0.07 -0.04 0.08 0.03 0.06 -0.13 0.05 -0.06 0.03 -0.03 0.10 0.01 0.00 0.08 -0.11 0.38 0.24 0.04 -0.21 0.11 -0.03 -0.33 0.06 -0.02 -0.20 -0.16 -0.05 -0.01 0.04 -0.04 -0.17 0.02 -0.33 0.08 0.09 -0.05 0.05 0.02 -0.06 -0.01 -0.02 0.02 0.00 -0.08 -0.14 0.06 0.03 -0.00 -0.03 -0.05 0.11 -0.03 -0.07 -0.06 0.13 -0.28 -0.04 0.04 0.07 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.02 0.02 -0.01 0.00 0.01 0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.03 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.03 -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 -0.01 0.05 0.00 -0.03 -0.16 0.02 -0.04 -0.01 0.04 0.02 -0.01 0.05 0.03 -0.02 0.03 0.01 0.02 0.02 -0.01 0.01 0.00 -0.11 0.04 -0.06 0.01 -0.01 0.05 -0.01 0.01 0.04 0.02 -0.07 -0.05 0.01 0.07 0.00 0.02 0.07 0.00 0.00 -0.03 -0.02 -0.00 -0.01 0.00 0.04 -0.01 -0.04 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.06 -0.03 0.09 0.60 0.06 0.09 0.72 -0.11 0.08 0.01 0.02 0.00 0.00 -0.00 -0.02 0.01 0.00 0.01 0.01 0.01 -0.00 -0.03 -0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.09 -0.00 0.05 0.05 -0.01 0.01 0.02 0.05 0.01 0.04 -0.02 0.01 0.02 -0.01 -0.02 -0.01 0.00 -0.08 -0.01 -0.01 -0.01 -0.06 -0.04 -0.03 -0.04 -0.01 -0.00 -0.00 0.01 0.01 0.09 0.05 -0.02 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 0.01 -0.04 -0.02 0.02 -0.06 0.06 0.03 -0.15 -0.04 0.12 0.06 -0.05 0.16 0.09 -0.06 0.12 0.03 0.06 0.06 -0.05 0.02 0.00 -0.36 0.13 -0.21 0.01 -0.05 0.17 -0.02 0.02 0.14 0.02 -0.13 -0.11 0.02 0.09 0.01 0.06 0.07 0.10 0.02 -0.13 -0.11 -0.01 -0.03 0.00 0.18 -0.08 -0.20 -0.06 0.15 -0.15 -0.01 0.02 0.01 -0.01 0.01 -0.00 0.01 0.02 -0.03 -0.00 0.00 0.01 0.00 0.00 -0.01 0.05 -0.02 -0.16 0.13 -0.16 0.37 0.10 -0.30 -0.26 -0.05 -0.03 0.04 0.00 0.00 -0.01 0.02 0.01 -0.08 -0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.03 -0.06 0.16 0.10 -0.03 0.05 0.02 0.02 0.00 0.01 0.06 -0.03 -0.01 0.01 -0.00 -0.06 0.02 -0.13 -0.00 -0.01 -0.00 -0.03 0.01 -0.02 0.07 0.01 0.02 -0.01 0.00 0.01 -0.06 -0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.06 0.00 -0.02 0.05 -0.07 0.26 0.11 -0.06 0.19 0.13 -0.07 0.08 0.02 0.02 0.04 -0.02 -0.01 0.00 -0.37 0.16 -0.24 -0.02 -0.02 0.11 -0.11 0.07 0.05 0.01 0.02 0.01 -0.13 -0.03 -0.12 -0.08 0.03 -0.17 -0.07 0.07 0.21 -0.01 -0.01 0.01 -0.19 0.04 0.20 0.10 -0.06 0.04 -0.01 0.00 -0.01 0.03 0.02 0.00 0.01 0.01 -0.03 -0.02 0.01 0.00 0.01 0.00 0.01 -0.11 0.02 0.20 -0.14 -0.05 -0.32 -0.12 -0.00 0.28 0.00 0.00 -0.00 0.03 0.03 -0.10 -0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.01 0.01 0.03 -0.00 0.07 0.03 0.01 -0.03 -0.01 -0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.16 -0.03 -0.10 -0.01 0.00 0.00 -0.06 0.06 0.02 0.01 0.00 0.01 -0.03 -0.03 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.11 0.02 0.12 0.00 0.00 -0.00 -0.07 0.02 -0.05 0.07 -0.01 0.07 0.00 0.00 -0.01 0.03 -0.03 0.06 -0.01 -0.02 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.01 -0.04 -0.00 0.02 -0.08 -0.02 0.02 0.03 0.31 -0.05 0.42 -0.29 -0.24 -0.13 0.03 -0.03 0.02 -0.03 0.00 -0.03 0.04 -0.03 0.02 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.25 0.03 0.08 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.03 -0.07 -0.08 0.06 -0.03 0.08 0.08 0.13 -0.49 -0.22 0.05 0.09 0.05 0.01 0.07 0.01 -0.00 -0.01 0.01 0.01 0.02 0.01 0.00 -0.02 0.15 -0.02 0.05 -0.00 0.00 0.00 -0.02 -0.00 0.05 0.01 0.01 0.00 -0.01 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.08 0.04 -0.09 -0.06 0.01 -0.03 0.01 0.02 0.00 0.05 -0.05 0.04 0.01 -0.00 -0.01 0.05 -0.01 0.04 -0.00 -0.00 -0.00 -0.15 0.00 -0.13 0.08 -0.01 0.08 -0.00 -0.00 0.00 -0.00 0.02 -0.09 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 -0.05 0.01 -0.00 0.05 0.00 0.02 -0.15 0.03 -0.13 -0.05 0.02 -0.03 -0.05 0.02 0.05 0.02 0.01 0.02 -0.02 0.01 -0.00 0.03 -0.03 0.04 0.02 -0.02 0.05 0.07 -0.04 0.08 -0.16 -0.06 -0.20 -0.04 -0.01 -0.00 -0.06 0.19 -0.15 -0.09 -0.13 0.27 0.00 -0.00 0.00 -0.19 0.07 0.19 0.31 0.03 -0.17 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.21 0.13 0.31 -0.13 -0.08 -0.25 -0.13 0.09 0.32 0.00 0.00 0.00 0.06 -0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 -0.02 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.03 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 0.05 -0.09 -0.00 -0.00 0.00 -0.04 0.02 -0.03 0.04 0.00 0.04 0.03 -0.04 0.07 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.02 0.01 0.05 0.06 -0.08 -0.03 -0.04 -0.01 0.01 -0.00 0.03 -0.01 0.03 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.54 0.29 -0.28 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.02 -0.03 0.03 0.01 0.07 -0.05 -0.18 0.66 -0.06 0.01 0.01 0.04 0.01 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.01 -0.02 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.09 0.01 -0.00 0.02 0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.06 0.05 0.01 -0.07 0.01 -0.00 -0.09 0.05 0.01 -0.02 -0.04 -0.01 0.00 -0.00 0.01 -0.02 -0.01 0.09 0.03 -0.07 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 0.07 0.79 -0.05 -0.02 -0.39 0.05 0.04 0.41 -0.03 0.01 -0.00 0.00 0.02 0.00 -0.02 0.00 -0.00 -0.00 0.03 0.01 0.00 -0.05 0.11 0.04 -0.01 -0.02 -0.03 -0.01 0.04 0.02 -0.01 -0.02 0.00 0.01 -0.04 0.03 0.05 -0.08 -0.07 -0.00 0.01 0.00 -0.03 0.04 0.03 -0.01 0.04 -0.02 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.02 -0.01 0.00 0.00 -0.00 0.19 -0.08 0.14 -0.15 -0.02 -0.16 0.01 -0.01 0.02 0.00 -0.01 0.03 0.01 0.04 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.19 0.08 -0.16 0.08 0.03 -0.12 -0.02 0.02 0.26 0.13 -0.12 0.14 -0.12 -0.08 -0.08 -0.07 -0.07 -0.04 -0.17 0.00 -0.11 0.08 -0.07 0.07 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.34 0.17 -0.12 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.26 -0.17 0.11 -0.13 -0.10 -0.33 0.00 -0.03 0.10 -0.09 0.01 0.04 -0.21 -0.07 -0.26 -0.01 -0.04 0.01 0.00 0.02 -0.00 -0.00 -0.02 0.00 0.02 0.01 -0.00 0.01 -0.01 0.00 0.00 0.00 0.02 -0.03 -0.00 -0.00 0.05 0.04 0.02 0.01 0.00 0.00 0.00 -0.01 -0.01 0.02 0.04 -0.12 0.09 -0.10 0.18 -0.03 -0.04 -0.01 -0.03 -0.05 -0.00 0.01 -0.03 -0.01 -0.12 0.09 -0.06 0.00 0.02 0.01 0.01 0.01 -0.02 -0.01 -0.01 0.03 0.01 -0.01 -0.00 0.01 -0.00 -0.03 -0.05 0.02 -0.04 0.04 0.00 0.05 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.02 0.00 -0.01 -0.00 0.01 0.05 0.12 -0.43 0.23 -0.01 0.09 0.05 -0.01 0.53 -0.08 0.04 -0.06 0.05 -0.03 0.00 -0.07 -0.10 -0.05 -0.35 0.06 -0.30 0.00 -0.06 -0.05 -0.06 0.05 0.00 0.05 -0.06 0.05 -0.00 -0.05 0.05 0.01 -0.02 -0.00 0.07 -0.01 0.02 0.02 0.05 -0.02 0.07 0.00 -0.04 -0.08 0.07 -0.03 0.02 0.02 0.11 -0.02 -0.01 0.05 0.01 -0.00 -0.02 0.06 0.02 0.08 -0.01 -0.08 0.01 0.01 0.02 0.03 0.00 -0.03 -0.01 0.04 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.03 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.02 -0.02 0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.07 -0.12 -0.04 0.02 0.18 -0.07 0.00 -0.00 -0.00 -0.04 -0.08 0.15 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.04 -0.00 0.01 0.00 -0.04 -0.01 0.02 -0.07 0.02 0.01 -0.00 -0.02 0.01 0.10 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.04 -0.01 -0.02 -0.04 -0.01 -0.00 0.03 -0.02 0.05 0.05 -0.27 -0.19 -0.06 0.08 -0.11 0.09 0.43 -0.05 0.09 0.50 -0.08 0.01 -0.00 0.00 -0.04 -0.16 0.12 -0.28 -0.14 0.28 -0.01 0.02 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.13 0.12 -0.13 -0.01 -0.05 -0.07 0.02 0.06 -0.05 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 0.05 0.01 0.00 -0.06 -0.03 -0.07 -0.01 -0.08 -0.01 -0.00 0.02 -0.02 -0.01 -0.02 0.00 -0.03 -0.01 -0.00 0.01 0.00 -0.00 0.02 0.01 0.02 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.04 0.01 -0.02 -0.03 0.00 0.00 -0.00 0.01 0.02 0.01 0.03 0.04 0.04 0.01 0.03 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.06 -0.09 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.08 0.03 -0.00 0.01 0.02 -0.08 -0.04 0.02 0.05 0.01 -0.03 0.00 0.00 -0.02 -0.01 -0.04 -0.02 -0.02 -0.03 -0.01 0.01 0.05 -0.03 0.06 0.07 -0.05 -0.00 0.01 0.10 0.01 0.00 0.04 -0.05 -0.03 -0.10 0.01 -0.03 0.02 -0.01 -0.01 -0.05 0.01 -0.05 0.03 0.01 -0.34 0.75 0.23 0.02 0.21 0.22 0.01 0.01 -0.04 -0.02 0.00 0.01 -0.04 -0.15 -0.16 -0.02 0.03 0.03 -0.01 0.01 -0.04 -0.01 -0.00 0.04 0.01 0.03 -0.06 0.01 -0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.02 0.01 0.02 0.00 0.02 -0.01 0.01 -0.01 0.02 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.02 0.00 0.15 0.04 -0.07 -0.12 -0.00 -0.00 0.01 0.03 0.10 0.03 -0.01 -0.01 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 0.02 -0.00 -0.05 -0.06 -0.00 0.04 0.01 -0.02 -0.03 0.02 -0.07 0.03 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.04 -0.03 0.02 -0.04 0.02 -0.06 -0.00 -0.01 -0.04 0.26 -0.22 -0.03 0.05 0.44 0.06 0.02 0.21 -0.23 -0.13 -0.40 0.04 0.02 -0.01 0.01 -0.07 -0.24 0.07 -0.23 0.11 0.04 0.09 -0.21 -0.07 -0.00 -0.05 -0.05 -0.01 -0.00 0.03 0.01 0.00 -0.01 0.03 0.05 0.06 -0.10 0.13 0.12 -0.07 0.03 -0.19 -0.06 -0.02 0.15 -0.03 -0.00 -0.00 0.14 -0.07 0.04 -0.00 -0.00 -0.00 -0.03 -0.01 -0.00 0.06 0.07 0.02 0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.02 0.01 -0.13 -0.01 -0.03 0.02 -0.05 -0.05 0.03 0.02 0.01 0.00 -0.02 -0.00 0.11 0.01 -0.02 -0.04 0.03 0.01 0.01 0.01 0.01 -0.00 -0.01 0.01 -0.02 -0.03 0.09 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.08 0.04 -0.02 -0.09 0.08 -0.15 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.15 0.02 0.03 -0.00 0.06 -0.10 -0.16 0.05 0.26 -0.04 0.12 0.05 0.00 -0.18 -0.04 -0.30 0.01 -0.17 -0.03 -0.11 0.20 0.20 -0.09 0.35 -0.01 0.02 0.02 -0.03 -0.02 -0.02 -0.01 -0.04 0.01 -0.00 -0.01 0.01 0.28 -0.16 0.21 0.00 0.02 -0.01 0.01 -0.00 -0.01 0.03 -0.08 -0.03 0.01 -0.00 0.01 -0.15 -0.04 0.31 0.11 0.02 -0.19 0.03 0.03 0.06 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.04 0.00 0.01 0.12 -0.06 0.03 0.00 0.00 -0.00 0.03 0.00 0.00 -0.05 -0.06 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.04 0.01 0.02 0.14 0.02 -0.00 0.06 0.04 -0.02 -0.04 -0.02 -0.01 -0.02 0.04 0.01 -0.11 -0.01 0.04 -0.03 0.00 -0.02 -0.01 -0.01 -0.03 -0.00 0.01 0.00 -0.04 -0.01 0.10 -0.00 -0.01 0.01 0.03 0.00 0.03 -0.01 -0.00 -0.01 -0.07 0.03 -0.01 -0.07 0.06 -0.12 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.15 -0.03 0.00 -0.01 -0.06 0.03 0.16 -0.04 -0.32 0.15 -0.06 0.13 -0.10 -0.02 -0.03 0.35 -0.02 0.20 0.05 0.12 -0.23 -0.20 0.09 -0.38 -0.01 -0.01 -0.02 0.03 -0.01 0.03 0.01 0.03 0.01 0.01 0.04 -0.01 0.12 -0.11 0.16 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.05 0.16 0.08 -0.01 -0.01 -0.02 -0.12 -0.03 0.24 0.11 0.01 -0.15 -0.09 -0.07 -0.15 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.02 0.02 0.00 -0.00 0.00 -0.00 -0.09 0.03 -0.08 -0.02 0.01 0.04 0.02 -0.02 -0.02 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.06 -0.04 -0.07 0.07 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.15 -0.06 0.11 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 0.01 0.03 0.01 -0.10 -0.01 0.02 -0.02 0.02 -0.03 0.01 -0.02 0.02 -0.01 0.06 -0.04 0.03 -0.03 0.02 -0.07 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.11 -0.26 -0.10 -0.07 0.25 0.14 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.53 0.13 0.65 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 0.03 -0.02 -0.02 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 0.01 -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 -0.08 0.09 0.04 0.12 -0.10 0.02 -0.00 0.00 0.00 -0.12 0.06 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.11 -0.06 0.01 -0.06 0.01 -0.00 -0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.04 -0.05 -0.12 -0.10 0.17 -0.02 -0.12 -0.16 -0.25 -0.03 0.24 0.31 0.00 -0.00 0.00 -0.02 0.32 -0.12 -0.17 -0.24 0.36 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.25 0.07 -0.24 0.09 0.03 0.23 0.10 -0.03 -0.27 0.02 0.00 0.02 -0.01 0.00 0.00 -0.00 0.02 -0.04 0.00 0.02 0.01 0.00 0.04 -0.01 0.02 -0.04 -0.00 0.05 -0.01 0.05 -0.11 0.07 0.24 0.05 -0.13 -0.14 -0.02 -0.03 -0.00 -0.01 -0.03 -0.02 0.05 -0.06 -0.03 0.00 0.08 0.06 0.00 0.01 0.01 -0.01 -0.00 -0.02 -0.00 0.01 0.01 0.01 -0.00 -0.02 -0.00 -0.01 0.00 -0.04 0.02 -0.03 0.03 -0.01 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.06 0.04 -0.03 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.15 -0.03 0.22 0.06 -0.59 -0.18 0.16 -0.01 -0.09 0.11 -0.02 0.03 -0.01 0.00 0.14 -0.23 0.09 -0.25 0.05 -0.30 0.20 -0.17 -0.03 0.01 0.02 0.02 -0.01 -0.04 -0.01 -0.00 -0.02 0.02 0.01 0.02 -0.01 0.03 0.00 -0.01 0.00 0.01 0.00 0.03 0.00 -0.02 -0.04 -0.01 -0.04 0.03 -0.01 0.04 0.02 0.00 -0.04 -0.08 0.02 0.02 -0.07 0.05 -0.04 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.05 0.06 -0.11 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 -0.01 -0.02 -0.01 0.02 -0.00 0.04 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.04 0.01 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 0.01 0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.06 0.01 0.04 0.14 -0.06 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.03 -0.02 0.04 0.01 -0.04 -0.04 0.02 0.02 0.09 -0.13 0.03 0.08 -0.02 0.04 -0.02 -0.03 -0.01 -0.04 -0.00 -0.02 0.04 -0.03 0.03 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.12 -0.09 0.12 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.13 -0.08 0.44 0.74 -0.27 -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 0.07 -0.00 0.01 -0.03 0.03 -0.07 0.01 -0.01 0.01 -0.06 -0.02 -0.01 0.18 0.17 0.04 -0.01 0.00 -0.03 0.00 -0.01 -0.00 -0.13 -0.13 0.01 0.06 0.07 -0.02 -0.02 -0.10 -0.06 -0.10 0.03 -0.01 -0.03 -0.00 0.02 -0.04 -0.06 0.01 -0.00 0.00 0.13 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.03 -0.01 -0.03 0.00 0.00 0.00 0.02 -0.01 0.01 0.00 0.01 0.01 -0.02 0.02 -0.02 0.05 -0.03 0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.13 0.13 -0.16 -0.04 0.06 0.18 -0.09 -0.08 -0.32 0.51 -0.01 0.08 -0.26 -0.04 0.13 0.10 0.08 0.19 0.04 0.03 -0.18 0.10 -0.18 0.01 -0.01 -0.02 0.10 0.02 0.09 0.01 0.04 -0.01 0.01 0.02 -0.01 0.20 -0.06 0.03 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.05 -0.07 -0.00 0.02 0.05 0.03 -0.06 -0.04 0.19 0.08 -0.04 0.02 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.04 0.00 -0.00 -0.01 0.02 -0.04 -0.01 0.01 -0.00 -0.01 -0.03 -0.01 0.02 -0.14 -0.01 -0.04 0.14 0.05 -0.07 0.01 -0.06 0.03 0.07 0.02 -0.01 -0.05 -0.01 -0.01 0.09 -0.05 0.07 -0.03 -0.00 -0.05 0.05 0.02 0.01 0.04 0.01 -0.02 -0.04 0.16 0.00 0.00 0.01 0.00 0.00 0.00 0.05 -0.00 -0.05 -0.00 -0.00 -0.00 0.05 -0.01 0.05 0.00 -0.01 -0.01 -0.01 0.02 -0.05 0.02 -0.01 0.01 0.07 -0.07 0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.22 0.00 -0.07 0.12 0.01 -0.03 -0.12 0.08 -0.04 -0.16 0.43 0.07 -0.02 -0.37 -0.03 -0.02 -0.08 -0.01 -0.12 0.01 -0.07 0.11 -0.07 0.06 0.00 0.01 0.01 -0.07 -0.01 -0.07 -0.01 -0.03 0.00 -0.01 -0.02 0.01 0.29 -0.12 0.03 -0.02 -0.00 0.02 0.01 0.00 -0.01 0.05 0.02 0.06 -0.03 -0.24 -0.22 -0.04 -0.04 0.17 -0.22 0.08 0.04 -0.05 -0.14 -0.16 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 -0.00 0.00 0.00 0.02 -0.08 0.01 -0.00 0.00 0.06 0.02 0.02 -0.16 -0.06 0.03 0.05 -0.19 -0.06 0.08 -0.02 0.07 0.07 0.02 -0.03 -0.02 0.01 0.02 -0.02 0.08 -0.09 -0.07 0.03 -0.00 -0.00 0.05 0.00 0.01 0.01 -0.01 0.02 -0.11 0.26 -0.00 0.01 -0.01 0.00 -0.02 0.00 0.09 -0.04 0.01 0.02 0.00 0.01 -0.04 0.01 -0.04 -0.04 0.03 -0.02 -0.06 0.06 -0.10 0.02 -0.01 0.00 -0.07 0.07 -0.02 -0.03 -0.00 0.00 0.02 -0.00 -0.01 0.37 0.10 0.03 0.01 0.00 0.08 -0.04 0.02 -0.02 0.03 0.08 0.11 -0.26 -0.07 -0.11 -0.04 -0.00 -0.03 -0.02 -0.02 0.03 0.03 -0.01 0.05 -0.02 0.00 -0.02 0.06 0.01 0.07 0.00 -0.00 -0.00 0.03 0.12 -0.00 0.09 -0.05 0.01 0.12 0.02 -0.13 -0.07 -0.03 0.06 -0.04 -0.03 -0.05 -0.01 0.39 0.32 -0.12 -0.02 0.20 -0.15 0.06 0.02 0.07 0.15 0.18 -0.04 0.02 0.02 -0.02 0.00 -0.06 -0.02 0.00 0.04 -0.02 0.01 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.03 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.02 0.03 0.01 -0.04 0.01 -0.00 0.06 -0.02 0.02 -0.01 0.01 -0.09 -0.01 -0.02 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.13 0.01 -0.01 -0.06 0.00 0.02 -0.02 -0.00 -0.04 -0.02 -0.00 -0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 -0.04 0.03 -0.02 0.01 0.01 0.01 0.01 0.00 -0.00 -0.02 0.01 -0.02 0.12 -0.00 0.10 -0.03 -0.00 -0.06 0.01 0.07 -0.00 -0.11 -0.42 0.00 -0.05 0.02 -0.01 -0.45 -0.10 0.48 0.26 0.12 -0.25 -0.01 0.00 -0.01 -0.00 0.05 0.04 -0.02 0.01 -0.00 0.03 -0.01 -0.00 0.01 0.02 0.03 0.16 -0.06 -0.06 0.08 -0.01 0.24 0.06 -0.01 -0.16 0.03 0.00 0.00 -0.02 -0.01 0.04 0.01 -0.00 0.00 0.01 0.00 0.00 -0.02 -0.02 0.01 0.00 -0.02 -0.01 0.01 -0.01 0.01 0.03 -0.00 -0.00 -0.01 -0.00 0.00 0.06 -0.00 0.01 -0.10 0.01 -0.01 -0.01 0.02 0.01 0.00 0.00 -0.01 -0.10 0.05 -0.05 0.01 -0.01 -0.02 -0.00 0.00 -0.00 -0.10 0.07 -0.10 -0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.08 -0.04 0.03 0.06 -0.02 -0.00 -0.01 0.01 -0.00 0.03 -0.00 -0.00 -0.01 0.00 0.00 0.15 0.03 0.07 0.01 0.00 0.02 -0.02 0.01 -0.02 0.13 -0.10 0.10 0.14 -0.23 0.04 -0.01 0.00 -0.01 -0.00 -0.00 0.02 0.02 -0.01 0.03 0.00 0.00 -0.00 0.13 0.01 0.12 0.02 0.11 -0.01 -0.02 -0.10 -0.01 0.56 -0.26 0.11 -0.10 -0.02 0.10 0.02 0.00 -0.01 0.01 -0.02 -0.01 0.00 0.09 0.07 0.06 -0.10 0.26 -0.43 0.14 0.07 -0.00 0.01 0.00 0.03 -0.01 -0.01 0.02 0.00 0.05 0.01 -0.00 -0.03 -0.05 -0.00 -0.03 -0.01 0.00 0.01 -0.03 0.00 0.00 0.01 0.01 0.00 -0.01 0.05 0.01 0.01 -0.05 -0.03 0.02 -0.01 0.02 -0.07 -0.01 -0.02 0.03 0.03 0.00 0.02 -0.02 -0.01 0.21 -0.02 0.02 -0.00 0.01 0.01 -0.02 -0.03 0.01 -0.04 0.01 0.01 -0.04 0.01 0.07 0.01 0.01 -0.02 -0.03 0.02 -0.04 0.02 -0.03 0.03 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.02 -0.01 -0.00 0.03 -0.01 -0.00 -0.02 0.02 -0.01 -0.03 0.02 -0.00 0.02 -0.00 0.00 -0.18 -0.02 -0.17 -0.07 -0.00 -0.04 0.10 -0.04 0.06 0.07 -0.08 0.05 0.02 -0.05 -0.01 0.06 0.05 0.04 0.07 0.02 -0.02 -0.08 0.04 -0.09 0.12 -0.02 0.08 -0.40 0.01 -0.37 -0.08 -0.42 0.00 0.02 0.22 0.01 0.23 -0.11 0.05 0.12 0.01 -0.11 0.12 0.10 -0.17 -0.01 0.01 -0.01 -0.01 0.09 0.10 0.01 -0.04 0.13 -0.19 0.06 0.03 0.04 0.05 0.08 -0.03 -0.01 -0.00 -0.02 -0.03 -0.05 -0.02 0.02 0.05 -0.09 -0.01 0.04 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.01 0.03 0.01 0.01 -0.02 -0.01 0.01 0.00 0.01 -0.04 -0.00 -0.00 0.02 0.02 -0.00 0.00 -0.01 -0.01 0.14 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.00 0.02 0.08 0.01 -0.04 -0.02 -0.00 0.05 -0.01 0.01 -0.01 0.02 0.04 -0.06 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.03 0.01 -0.01 0.00 -0.01 -0.13 -0.02 -0.10 -0.04 0.00 -0.06 0.06 -0.03 0.05 0.03 -0.05 0.02 -0.02 0.02 -0.01 0.03 0.03 0.02 0.04 0.01 -0.01 -0.05 0.03 -0.05 -0.31 0.02 -0.15 0.13 -0.15 0.08 0.11 0.50 0.05 -0.04 -0.30 0.01 0.07 -0.03 0.02 -0.02 0.03 -0.01 -0.32 -0.25 0.40 -0.02 0.03 0.00 -0.01 0.00 0.01 -0.00 -0.01 0.05 -0.07 0.02 0.01 0.03 0.03 0.06 -0.04 0.04 0.08 -0.00 0.04 -0.01 0.01 -0.03 -0.04 -0.02 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.03 -0.01 -0.10 -0.02 -0.11 0.05 -0.06 0.01 0.01 0.01 -0.02 -0.01 -0.04 0.00 0.00 0.01 0.01 0.03 -0.01 0.00 -0.05 0.08 0.05 0.01 0.04 0.01 0.01 0.02 -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.04 -0.01 0.03 -0.00 0.04 0.03 0.01 -0.01 0.03 -0.02 0.01 0.00 0.01 0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.22 -0.09 0.13 0.13 -0.03 0.15 -0.11 0.06 -0.17 -0.07 0.13 -0.03 0.13 -0.23 0.03 -0.01 -0.07 -0.00 -0.11 0.01 -0.06 0.10 -0.07 0.04 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.03 0.01 -0.00 -0.02 0.00 -0.11 0.06 -0.03 0.00 0.00 -0.00 -0.02 -0.02 0.03 0.17 -0.28 -0.03 0.04 0.48 0.45 0.03 0.03 -0.13 0.14 -0.05 -0.02 -0.12 -0.05 -0.15 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.04 0.01 0.01 -0.01 0.01 -0.01 0.02 0.00 -0.05 -0.02 -0.09 0.01 -0.06 -0.04 0.00 -0.01 -0.00 0.04 0.04 0.01 0.01 -0.02 -0.00 -0.01 0.07 0.03 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.09 -0.13 0.63 0.26 -0.09 0.45 -0.10 0.05 -0.17 0.04 -0.10 -0.00 -0.06 0.12 -0.01 0.04 -0.17 0.04 -0.17 0.04 -0.13 0.15 -0.11 -0.01 -0.03 -0.01 -0.02 -0.03 -0.01 -0.03 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.05 0.10 0.02 0.01 -0.15 -0.14 -0.01 -0.01 0.05 -0.06 0.02 0.01 0.06 0.05 0.10 -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 -0.01 0.01 -0.00 0.01 0.03 -0.02 -0.05 0.08 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.05 -0.08 -0.02 -0.00 -0.01 0.01 0.00 -0.02 0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.02 0.04 0.01 0.02 -0.02 0.00 -0.01 0.02 -0.04 0.03 -0.01 -0.00 0.06 -0.02 0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.03 0.09 -0.00 0.01 -0.04 0.03 -0.03 0.12 0.14 -0.32 -0.01 -0.23 0.50 -0.04 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.02 0.02 -0.03 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.09 -0.05 0.04 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.13 -0.26 -0.06 0.05 0.25 0.27 -0.05 -0.03 0.16 -0.20 0.06 0.02 -0.22 -0.17 -0.36 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 -0.01 -0.00 0.01 -0.01 -0.02 -0.00 -0.03 -0.02 0.02 0.14 0.02 0.14 0.02 -0.03 0.01 -0.04 0.01 -0.05 0.02 -0.00 -0.03 0.01 0.00 0.00 0.04 0.02 0.01 -0.00 0.00 -0.03 -0.03 -0.01 0.01 -0.00 0.02 -0.03 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.10 0.11 -0.02 -0.10 -0.03 -0.13 0.01 -0.01 0.03 -0.02 0.01 0.00 0.05 -0.05 0.02 0.01 -0.00 0.01 -0.01 0.00 -0.02 0.32 0.05 0.29 0.02 -0.01 0.01 0.07 -0.04 0.23 -0.11 0.26 0.01 0.14 -0.31 0.03 0.08 -0.00 0.05 0.06 0.03 -0.02 -0.02 -0.01 -0.06 0.05 0.02 0.05 -0.10 -0.05 -0.10 0.01 0.01 0.03 -0.02 -0.06 0.01 -0.05 0.03 -0.03 0.01 0.01 -0.01 -0.05 -0.04 0.06 0.01 -0.12 -0.07 -0.07 0.34 0.20 0.03 0.02 -0.11 0.14 -0.04 -0.02 -0.16 -0.16 -0.30 -0.06 0.02 0.14 -0.01 0.00 -0.01 0.02 -0.01 -0.07 0.04 0.02 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.03 -0.01 -0.00 0.03 0.03 -0.00 -0.00 0.00 0.02 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.01 0.03 -0.05 0.00 -0.06 -0.02 -0.00 -0.06 0.00 -0.00 0.03 -0.03 0.02 -0.08 0.01 -0.03 -0.00 -0.02 0.06 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.00 0.02 0.36 0.13 0.31 -0.22 -0.12 -0.23 0.03 0.02 0.09 -0.05 -0.15 0.06 0.01 -0.00 0.00 0.10 0.07 -0.11 -0.13 -0.12 0.19 -0.00 0.01 0.01 0.01 -0.04 -0.03 -0.01 -0.00 0.02 -0.02 0.01 0.00 0.01 0.01 0.03 -0.23 0.06 0.55 -0.03 0.01 -0.05 0.09 -0.03 -0.30 -0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.02 -0.03 -0.00 -0.06 0.01 -0.05 -0.01 0.01 -0.01 -0.01 0.03 -0.02 0.01 0.00 -0.03 -0.00 0.01 0.00 0.02 0.02 0.00 0.01 -0.01 0.00 -0.02 -0.03 0.01 0.00 0.00 -0.00 0.00 0.02 0.02 -0.01 -0.01 -0.03 0.00 -0.00 -0.00 0.03 0.01 0.02 0.02 -0.03 0.01 0.04 0.00 0.04 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.05 0.00 0.02 -0.05 0.00 -0.04 0.23 0.05 0.25 -0.03 0.02 -0.18 0.11 -0.06 0.39 -0.03 0.06 0.00 0.03 -0.09 0.01 0.07 0.03 0.04 0.10 0.02 0.01 -0.06 0.02 -0.06 -0.25 -0.12 -0.24 0.11 0.09 0.13 -0.04 -0.18 -0.03 0.05 0.21 -0.06 -0.01 0.01 -0.01 -0.07 -0.15 0.12 0.05 0.06 -0.06 0.02 -0.01 0.01 0.04 -0.06 -0.02 0.01 0.01 -0.03 0.04 -0.01 -0.01 0.00 0.02 0.02 -0.19 0.03 0.46 -0.00 0.00 0.01 0.06 -0.02 -0.22 0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.00 -0.02 -0.03 -0.00 -0.06 0.01 -0.05 -0.01 0.01 -0.01 -0.01 0.03 -0.03 0.01 0.00 -0.03 0.00 0.01 0.00 -0.00 0.02 0.01 0.01 -0.02 0.00 -0.03 -0.03 0.01 -0.00 0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.02 0.03 0.00 -0.00 -0.00 -0.02 -0.01 -0.02 0.03 -0.03 0.01 0.04 -0.00 0.05 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.02 0.01 -0.04 -0.00 -0.01 0.04 -0.00 0.03 0.29 0.06 0.30 -0.03 0.02 -0.18 0.11 -0.07 0.42 -0.03 0.08 0.00 0.03 -0.10 0.01 0.07 0.03 0.05 0.11 0.02 0.01 -0.06 0.01 -0.07 0.25 0.11 0.23 -0.15 -0.10 -0.16 0.04 0.16 0.04 -0.06 -0.22 0.06 -0.01 0.01 -0.01 0.07 0.15 -0.11 -0.06 -0.07 0.07 0.02 -0.02 0.01 0.05 -0.07 -0.02 0.01 0.01 -0.03 0.04 -0.01 -0.01 -0.00 0.02 0.01 0.15 -0.02 -0.36 -0.00 -0.00 -0.02 -0.05 0.01 0.17 0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.02 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 -0.05 -0.01 0.02 -0.00 0.00 -0.00 0.10 0.06 -0.09 -0.01 0.00 -0.00 0.02 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.02 -0.04 0.01 0.00 0.03 0.14 0.05 -0.08 -0.02 -0.01 0.04 -0.03 0.02 -0.13 -0.03 0.07 0.00 -0.00 -0.01 0.00 -0.02 0.00 -0.01 -0.02 -0.01 -0.00 0.01 0.00 0.01 0.06 0.02 0.03 -0.19 -0.10 -0.17 -0.04 -0.22 0.10 0.08 0.25 -0.10 0.00 -0.00 -0.00 -0.32 -0.38 0.41 -0.19 -0.20 0.32 0.01 -0.04 -0.01 0.02 -0.02 0.00 0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.03 -0.01 -0.04 0.00 -0.01 -0.08 0.08 0.04 0.16 -0.09 -0.01 0.21 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.03 0.01 -0.07 0.00 0.02 -0.04 -0.01 -0.04 -0.05 0.06 -0.01 -0.07 -0.05 -0.01 0.02 0.02 0.05 0.02 -0.01 -0.00 0.04 0.01 0.00 0.03 -0.07 -0.02 0.02 0.02 -0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.03 -0.02 0.03 -0.03 0.01 -0.02 0.07 -0.06 0.03 0.01 -0.01 0.03 -0.01 0.01 -0.00 0.05 0.02 0.07 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.50 0.18 -0.28 -0.04 -0.03 0.16 -0.09 0.09 -0.48 -0.10 0.25 0.02 0.02 -0.11 0.00 -0.07 0.01 -0.04 -0.08 -0.01 -0.02 0.02 0.02 0.03 -0.09 -0.04 -0.08 0.01 0.01 0.01 0.01 0.05 -0.03 -0.03 -0.12 0.03 0.01 -0.00 -0.01 0.10 0.12 -0.13 0.06 0.06 -0.09 0.05 -0.15 -0.07 0.07 -0.09 0.03 0.02 0.01 -0.06 0.08 -0.03 -0.01 -0.13 -0.06 -0.18 0.00 0.00 0.01 -0.03 -0.01 -0.05 0.03 0.00 -0.06 -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 -0.05 -0.03 -0.01 0.03 0.02 0.04 -0.05 0.00 -0.04 0.02 -0.04 0.03 -0.02 0.09 0.06 -0.07 0.03 0.01 0.01 0.00 -0.01 0.03 0.01 0.03 -0.01 -0.01 0.02 0.02 -0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.04 0.01 -0.00 -0.00 -0.00 0.00 0.03 -0.02 0.02 -0.04 0.05 -0.01 0.00 -0.00 0.01 0.02 -0.00 -0.01 -0.03 -0.02 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.24 0.06 0.19 -0.11 0.05 -0.39 -0.09 0.07 -0.24 -0.21 0.37 -0.11 -0.29 0.48 -0.03 -0.11 0.03 -0.06 -0.10 -0.06 -0.01 -0.08 0.10 -0.01 -0.04 -0.03 -0.04 -0.02 -0.01 -0.02 -0.00 -0.03 0.00 -0.01 -0.06 0.00 0.06 -0.03 0.04 0.01 0.02 -0.02 -0.00 -0.01 0.01 -0.02 0.10 0.05 -0.05 0.09 0.02 -0.00 -0.01 0.03 -0.04 0.01 -0.01 0.08 0.04 0.12 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 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.04 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.04 0.03 0.17 -0.01 0.00 -0.00 0.00 0.01 -0.03 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.03 0.02 -0.00 0.05 0.01 -0.01 0.04 0.02 -0.04 0.01 0.02 -0.02 0.00 0.01 -0.01 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 -0.20 -0.25 -0.31 -0.02 -0.02 -0.00 -0.11 -0.59 0.04 -0.12 -0.52 0.03 -0.01 0.00 -0.00 0.08 0.09 -0.08 -0.12 -0.17 0.19 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 -0.02 0.01 -0.03 0.01 -0.01 0.01 -0.03 0.01 0.07 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.03 -0.03 -0.02 -0.02 0.03 0.01 0.03 -0.04 0.00 0.02 -0.02 0.06 -0.04 0.04 -0.12 0.05 -0.05 0.02 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.02 0.01 0.03 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 0.01 -0.01 -0.00 0.00 0.00 0.03 -0.02 0.01 -0.02 0.03 0.00 0.00 -0.01 0.02 0.00 0.00 -0.01 -0.02 -0.01 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.15 0.11 -0.39 0.16 -0.07 0.60 0.12 -0.10 0.28 -0.15 0.30 -0.06 -0.19 0.26 -0.02 0.08 -0.04 0.07 0.05 0.05 -0.04 0.07 -0.08 -0.04 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.01 0.04 -0.00 0.01 0.03 -0.00 0.04 -0.02 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 0.06 0.03 -0.03 0.07 0.05 0.01 0.00 -0.02 0.02 -0.01 -0.01 0.05 0.02 0.06 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 0.01 0.00 0.01 0.01 0.01 -0.06 0.15 0.05 0.08 -0.11 -0.00 -0.07 -0.03 0.00 0.02 0.01 0.02 -0.07 0.08 -0.02 0.01 0.01 0.01 0.04 -0.12 -0.04 0.01 0.00 0.00 -0.02 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.04 -0.02 0.02 -0.00 0.00 0.00 0.07 -0.05 0.04 -0.06 0.08 0.00 -0.01 0.01 -0.04 -0.00 -0.00 0.02 -0.06 -0.04 -0.09 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.44 0.16 -0.15 -0.06 -0.03 0.07 -0.05 0.06 -0.20 0.20 -0.38 0.11 0.29 -0.35 0.04 -0.04 0.02 -0.02 -0.01 0.01 -0.03 0.00 0.01 -0.00 -0.04 -0.02 -0.04 -0.07 -0.05 -0.06 0.02 0.07 0.00 -0.00 0.01 -0.01 -0.08 0.04 -0.03 0.00 0.00 -0.00 0.02 0.02 -0.03 -0.03 0.18 0.10 -0.06 0.18 0.10 -0.02 -0.00 0.04 -0.03 0.01 0.02 0.13 0.05 0.17 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.04 -0.00 -0.04 0.00 0.00 -0.00 0.01 0.01 0.00 -0.03 0.04 0.01 -0.01 0.04 0.01 0.01 -0.02 0.00 0.02 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.02 -0.05 -0.01 -0.00 0.00 0.02 -0.05 -0.02 0.01 -0.00 0.00 -0.02 -0.05 0.16 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.05 0.07 -0.15 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.05 -0.08 0.20 -0.11 0.06 -0.05 -0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.18 -0.08 0.07 -0.01 0.01 -0.06 -0.01 0.00 -0.02 0.12 -0.16 0.09 -0.11 0.09 -0.06 -0.05 0.00 -0.02 -0.04 -0.02 -0.02 -0.03 0.04 -0.03 0.03 0.02 0.03 0.04 0.03 0.04 -0.01 -0.03 -0.00 0.00 0.00 0.00 0.31 -0.11 -0.05 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.02 0.05 0.02 -0.00 0.04 0.03 0.17 0.09 -0.49 0.53 -0.16 -0.15 0.02 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.06 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.06 -0.00 0.02 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.07 -0.08 -0.07 0.04 0.04 0.02 0.00 -0.00 0.01 0.02 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.06 0.02 -0.01 -0.01 -0.01 0.02 0.00 0.00 -0.02 -0.01 0.03 0.00 0.02 -0.03 0.00 -0.04 0.02 -0.01 -0.02 0.00 -0.05 -0.02 0.02 -0.04 0.21 0.22 0.38 0.48 0.41 0.42 -0.08 -0.30 -0.02 0.02 0.05 0.04 -0.02 0.01 0.00 -0.00 0.00 0.01 -0.08 -0.08 0.11 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.00 0.02 -0.02 0.01 0.01 0.01 0.00 0.01 -0.02 0.01 0.02 0.03 0.00 0.06 -0.04 0.00 0.06 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.03 0.02 0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.02 -0.00 0.03 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.03 -0.01 -0.09 0.04 -0.10 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.08 -0.03 0.02 -0.02 0.01 -0.09 -0.01 0.02 -0.09 -0.04 0.09 -0.01 -0.04 0.02 -0.01 0.49 -0.23 0.13 0.27 0.01 0.53 0.21 -0.28 0.38 0.01 0.01 0.02 0.03 0.02 0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.03 0.01 -0.00 0.03 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.04 -0.03 -0.01 0.18 -0.09 -0.06 0.03 -0.07 -0.02 -0.02 0.01 -0.01 -0.11 -0.00 0.04 0.01 0.00 -0.01 -0.06 0.05 0.01 0.02 0.01 -0.00 -0.06 0.14 0.05 -0.03 0.01 -0.02 0.01 -0.02 0.05 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.02 0.04 0.01 -0.01 0.02 0.01 -0.00 -0.01 0.03 -0.01 0.01 -0.02 0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.59 0.26 -0.17 -0.04 -0.03 0.06 -0.03 0.04 0.01 0.18 -0.46 -0.07 -0.06 0.20 -0.00 0.16 -0.08 0.05 0.09 0.02 0.15 0.08 -0.10 0.10 0.00 0.02 0.03 0.03 0.03 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.06 -0.03 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.06 -0.11 -0.02 -0.02 -0.10 -0.11 0.02 0.02 -0.08 0.05 -0.01 -0.04 -0.01 -0.03 -0.03 -0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.01 -0.03 0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.01 -0.09 -0.02 -0.00 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.02 -0.02 -0.02 -0.02 0.09 0.08 0.07 -0.07 0.02 0.10 -0.00 0.00 0.00 0.08 0.26 -0.03 -0.20 0.11 -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 -0.14 0.04 0.24 0.34 0.00 0.55 -0.30 0.06 0.47 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.07 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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.03 0.00 0.03 0.06 -0.00 0.41 -0.05 0.48 -0.37 0.11 0.49 -0.00 0.00 0.00 0.03 -0.27 -0.14 0.26 -0.11 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 0.01 -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 -0.02 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.01 0.00 -0.04 -0.02 -0.04 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.03 0.02 -0.00 0.26 0.13 -0.05 0.18 -0.23 -0.07 0.05 0.15 0.58 0.48 0.33 0.01 0.10 -0.10 0.03 -0.18 -0.10 0.11 -0.12 0.15 0.04 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.03 -0.00 -0.00 -0.00 -0.07 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 0.01 -0.02 -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.04 -0.01 0.00 -0.01 -0.04 -0.00 -0.18 0.07 -0.22 0.15 -0.10 -0.21 0.00 0.00 0.00 0.13 -0.48 -0.37 0.51 -0.19 0.24 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.02 0.07 0.12 0.01 0.18 -0.11 0.01 0.16 -0.03 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.02 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.04 0.06 -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 0.01 0.00 -0.00 -0.04 -0.01 -0.00 -0.02 0.03 -0.00 0.00 0.02 0.06 0.05 0.05 0.00 -0.06 -0.01 -0.02 0.09 0.04 -0.01 0.06 -0.08 -0.07 0.57 -0.29 -0.23 0.10 -0.55 0.41 0.03 -0.03 0.04 -0.03 0.03 0.04 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.02 -0.02 -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.03 0.01 0.03 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.20 -0.07 -0.01 -0.12 0.15 0.02 0.02 0.09 0.27 0.22 0.19 0.00 -0.32 -0.06 -0.10 0.44 0.21 -0.04 0.31 -0.37 -0.33 -0.12 0.06 0.04 -0.02 0.11 -0.08 -0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -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 -0.01 0.03 0.06 0.00 0.00 -0.03 -0.01 -0.05 0.01 0.03 0.10 0.07 0.10 -0.00 0.15 0.64 0.08 0.14 0.16 -0.46 0.09 -0.14 0.49 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.06 0.04 0.02 0.01 -0.10 -0.05 0.02 -0.12 -0.07 0.02 -0.00 -0.01 -0.01 0.00 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.06 -0.04 -0.02 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.20 0.10 -0.05 0.25 0.14 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.03 -0.11 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 -0.03 0.02 0.05 0.03 -0.02 0.04 -0.05 -0.03 -0.02 0.04 -0.03 -0.04 -0.08 -0.00 -0.04 -0.03 -0.01 0.03 0.01 0.01 0.02 -0.02 -0.05 0.02 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.27 -0.43 -0.03 -0.15 -0.43 -0.52 0.01 -0.01 0.01 0.03 -0.01 0.01 0.00 -0.16 -0.11 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.00 -0.06 0.02 0.04 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -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 0.04 0.02 -0.01 0.51 0.29 -0.18 0.32 -0.44 -0.22 -0.01 -0.07 -0.19 -0.17 -0.12 -0.00 -0.16 -0.00 -0.05 0.23 0.11 -0.04 0.15 -0.19 -0.15 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.02 0.00 0.01 0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.05 0.00 0.04 0.00 0.00 -0.00 0.01 0.01 0.00 -0.02 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.07 0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.03 -0.01 0.00 0.00 0.00 0.21 -0.09 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.06 0.03 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.21 0.00 0.25 0.27 -0.02 -0.26 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.00 0.02 0.01 -0.00 0.02 -0.02 -0.01 -0.08 0.06 -0.02 0.15 -0.20 0.01 -0.00 -0.03 -0.00 -0.03 -0.02 0.02 -0.02 0.03 -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 -0.12 0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.02 -0.00 -0.01 -0.02 -0.03 -0.18 0.15 -0.26 -0.58 0.29 -0.22 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 -0.03 -0.02 -0.01 -0.00 0.00 0.00 0.05 0.00 0.05 0.05 -0.18 -0.08 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.03 -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 -0.03 -0.23 -0.20 -0.06 0.19 0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.07 0.24 0.25 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.01 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 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.31 0.26 -0.13 -0.13 -0.16 -0.28 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.44 0.04 -0.44 -0.00 -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 -0.01 0.01 0.01 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 -0.12 0.06 -0.03 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 0.00 0.00 0.00 0.46 -0.18 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.37 0.12 0.07 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.14 -0.00 -0.17 -0.14 0.03 0.09 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 0.01 0.00 -0.00 -0.00 -0.13 0.09 -0.05 0.16 -0.17 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.28 -0.24 0.37 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.10 -0.14 0.30 0.15 -0.09 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 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.39 -0.22 -0.10 -0.15 -0.00 0.03 -0.06 0.01 -0.02 -0.01 0.04 0.01 -0.03 -0.01 -0.02 0.01 0.01 0.01 0.01 0.05 -0.01 -0.01 -0.00 0.03 0.72 0.29 0.13 0.00 -0.00 -0.00 0.02 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 0.03 -0.01 0.02 0.01 -0.07 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.02 0.01 0.02 -0.02 0.02 -0.02 -0.11 0.06 -0.04 -0.04 0.02 -0.29 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -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 0.02 0.03 0.05 0.05 0.06 0.09 0.00 -0.00 0.01 0.00 0.00 0.00 0.05 0.03 0.06 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.03 -0.01 -0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 0.03 0.42 0.01 -0.02 -0.37 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.02 -0.03 0.02 -0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.12 0.00 0.16 0.09 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.04 -0.24 0.40 -0.03 0.16 -0.42 0.05 0.26 0.02 0.01 -0.05 0.00 -0.00 -0.00 0.09 0.10 -0.48 0.02 0.01 0.00 0.02 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.07 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.13 -0.15 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.03 -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 -0.00 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 0.04 -0.00 0.05 -0.01 -0.00 0.03 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.03 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.19 -0.01 0.01 -0.14 0.09 -0.21 -0.03 -0.02 -0.01 0.01 -0.08 -0.05 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.06 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 0.01 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 0.01 -0.00 -0.00 0.00 0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.13 -0.03 -0.10 -0.12 0.02 -0.08 0.00 0.00 0.00 -0.37 0.05 -0.26 0.10 0.69 0.51 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 -0.02 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 0.19 0.01 -0.46 -0.24 0.62 0.16 -0.40 -0.35 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.00 -0.06 -0.00 -0.00 0.00 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.05 -0.03 0.01 0.02 -0.31 0.07 0.23 0.71 -0.13 0.49 0.00 0.00 -0.00 -0.21 0.03 -0.15 0.01 0.07 0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.06 -0.02 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.03 -0.01 0.03 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.02 -0.01 -0.02 -0.21 0.05 0.17 0.06 -0.01 0.04 -0.00 0.00 0.00 0.66 -0.12 0.46 0.04 0.39 0.27 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.13 0.01 -0.08 0.02 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.06 -0.02 -0.02 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 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 0.03 -0.11 -0.02 -0.25 0.66 0.17 -0.45 -0.40 0.04 -0.04 -0.02 0.01 0.01 -0.01 -0.13 0.09 0.01 -0.21 0.04 -0.12 -0.03 0.01 0.02 0.00 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.01 0.02 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.06 0.02 0.02 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 0.09 0.30 -0.25 -0.35 0.10 0.28 0.53 -0.13 -0.43 0.24 -0.05 0.18 0.00 0.00 0.00 0.16 -0.03 0.11 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 -0.03 0.00 -0.02 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 -0.01 -0.00 0.02 0.03 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.07 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.05 0.17 0.04 0.06 -0.13 -0.04 -0.31 -0.26 0.03 0.06 0.03 -0.02 -0.02 0.01 0.15 -0.06 -0.02 0.13 -0.21 0.52 0.13 0.48 0.40 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -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 -0.00 -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 0.01 -0.00 -0.00 -0.02 -0.02 -0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.02 0.06 0.01 -0.04 -0.04 0.00 0.37 0.19 -0.11 -0.10 0.03 0.86 0.05 0.01 -0.14 0.06 -0.15 -0.04 -0.06 -0.05 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.01 0.05 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.14 0.50 -0.42 -0.34 0.10 0.28 -0.37 0.09 0.30 -0.25 0.04 -0.18 0.00 0.00 -0.00 -0.09 0.02 -0.06 -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 0.03 -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 -0.00 -0.00 0.00 0.00 0.02 -0.06 -0.01 0.00 0.02 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.24 0.78 0.16 0.07 -0.18 -0.04 -0.13 -0.10 0.01 -0.05 -0.03 0.02 0.01 -0.00 -0.11 0.13 0.02 -0.34 0.10 -0.26 -0.06 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.02 -0.06 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.11 0.35 0.07 -0.07 0.17 0.05 -0.15 -0.13 0.01 0.03 0.01 -0.01 -0.01 0.00 0.06 -0.25 -0.02 0.67 -0.04 0.13 0.02 -0.37 -0.33 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.01 -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 -0.06 0.00 -0.03 0.00 -0.00 -0.04 -0.01 0.03 0.01 -0.02 0.05 0.01 0.03 0.03 -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 0.02 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.02 0.00 0.00 -0.00 0.10 -0.02 0.07 0.00 0.05 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 0.69 -0.04 0.38 -0.38 0.05 0.23 0.33 -0.02 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 -0.03 -0.01 -0.02 -0.08 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 -0.10 0.32 0.07 -0.23 0.55 0.14 0.48 0.40 -0.05 0.04 0.02 -0.01 -0.00 0.00 0.03 0.01 -0.00 -0.03 -0.08 0.18 0.05 0.20 0.17 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.09 0.01 -0.05 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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.04 -0.00 0.03 -0.01 -0.00 -0.06 0.00 -0.01 -0.00 0.01 -0.03 -0.01 -0.04 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -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 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.04 0.01 -0.03 -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.49 0.03 -0.27 -0.40 0.05 0.24 0.58 -0.03 0.34 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 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 0.07 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 0.47 -0.38 0.58 -0.19 -0.47 0.09 -0.03 -0.08 0.02 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.03 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 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.00 0.78 0.39 -0.21 0.04 -0.02 -0.43 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.10 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.11 -0.01 0.06 0.64 -0.08 -0.41 0.53 -0.02 0.33 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.01 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.03 -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 -0.23 -0.08 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.73 -0.29 0.03 -0.01 0.07 -0.22 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -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 0.16 0.03 0.18 -0.07 0.05 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.50 0.82 0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.02 0.00 -0.00 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 -0.32 -0.12 0.74 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.47 0.19 -0.03 0.00 -0.08 0.26 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.07 0.05 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.07 0.01 0.08 0.73 -0.50 0.44 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.03 0.01 0.00 0.00 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 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.04 0.01 -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.31 -0.13 0.01 0.01 -0.29 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.07 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.61 0.14 0.73 -0.06 0.04 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.12 -0.21 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.99977 0.01968 0.0084 -0.01963 0.99978 -0.00703 -0.00853 0.00687 0.99994 asymmetric 1 0.01245 0.00856 0.00652 0.25942 0.17835 0.13593 1036282.8 21.49 46.49 48.84 56.46 69.82 86.61 93.58 112.85 130.14 134.21 152.44 171.85 190.28 213.73 245.13 265.89 303.27 322.63 337.29 358.91 384.00 424.75 472.13 474.17 502.75 534.90 570.01 598.58 630.21 634.68 712.71 738.63 810.90 872.92 880.13 927.32 945.71 958.42 970.54 1022.50 1085.81 1089.10 1094.88 1110.49 1121.80 1146.43 1208.43 1216.91 1232.24 1253.57 1261.79 1283.56 1287.45 1291.73 1298.32 1322.71 1325.66 1328.04 1359.22 1360.91 1393.73 1408.09 1430.14 1470.20 1485.44 1486.35 1516.88 1536.41 1558.94 1561.28 1569.94 1582.77 1610.01 1635.92 1645.66 1665.24 1694.22 1735.98 1776.18 1782.68 1793.30 1802.27 1816.73 1832.66 1859.92 1872.38 1885.41 1890.85 1896.33 1898.73 1944.64 1951.53 1977.06 1985.91 1991.68 2013.66 2024.08 2039.38 2045.60 2066.45 2076.33 2112.07 2122.86 2127.61 2146.61 2147.55 2150.09 2164.90 2171.65 2194.90 2230.40 2349.11 2422.94 2435.60 2496.33 4341.92 4350.03 4358.88 4404.78 4411.07 4427.40 4430.02 4436.98 4438.07 4445.36 4451.95 4472.16 4477.74 4486.64 4513.34 4519.62 4602.22 4658.89 4666.92 4674.25 4684.05 4708.69 4720.86 0.394699 0.418935 0.419880 0.337863 -1164.894368 -1164.870132 -1164.869188 -1164.951205 262.886 90.560 172.619 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 35.190 261.108 84.598 94.018 1 0.593 1.986 7.214 2 0.594 1.983 5.682 3 0.594 1.983 5.584 4 0.594 1.981 5.297 5 0.595 1.978 4.877 6 0.597 1.973 4.451 7 0.597 1.971 4.298 8 0.600 1.964 3.930 9 0.602 1.956 3.650 10 0.602 1.954 3.590 11 0.605 1.944 3.342 12 0.609 1.933 3.109 13 0.612 1.921 2.913 14 0.618 1.904 2.691 15 0.625 1.879 2.431 16 0.631 1.861 2.279 17 0.643 1.824 2.037 18 0.649 1.804 1.925 19 0.654 1.788 1.845 20 0.662 1.764 1.734 21 0.672 1.734 1.616 22 0.689 1.683 1.444 23 0.711 1.619 1.269 24 0.712 1.616 1.262 25 0.727 1.576 1.169 26 0.743 1.530 1.072 27 0.763 1.478 0.977 28 0.779 1.435 0.906 29 0.798 1.387 0.833 30 0.801 1.380 0.823 31 0.851 1.260 0.670 32 0.868 1.220 0.626 33 0.919 1.110 0.517 34 0.965 1.018 0.438 35 0.971 1.007 0.430 0.138988e+27 26.142976 60.196427 0.503865e+11 10.702314 24.642989 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.109436e+08 7.039161 16.208266 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2890677 7.057E-10 7.036E-6 0.3946993 0.4189354 -1164.8701323 -1164.8691881 -1164.951205 -1.1606283,4.0833096,-2.9226813,5.8520999,4.8627046,9.826307 C01 [X(C18H23N3O4)] -1.4289499 -1.9473082 2.5443155 -0.4573327 -0.16908 0.0787632 0.011936 -2.0831715 0.5153752 0.0140255 0.4208482 -0.9440402 -0.3787956 -0.2960092 0.1530836 -0.3126671 -0.6533095 0.2888332 0.1410621 0.1976165 -0.7979242 -0.6150296 -0.1123932 0.0284234 -0.0103016 -0.9185359 -0.1934003 0.105601 0.1972621 -1.5426884 -1.0318503 0.4385716 0.0349245 0.2465839 -2.0231734 0.3832492 0.1965216 0.4060182 -0.6708431 -1.1895676 -0.647342 0.3134717 -0.5083016 -1.5886028 0.4311372 0.1587757 0.2849631 -0.6728692 -1.9185454 0.2302606 0.6067711 0.2751243 -0.270563 0.0076484 0.6848145 0.0101326 -0.3187211 -0.981178 0.0635727 0.2018188 0.0650758 -0.4294748 -0.0233531 0.1257338 -0.0426049 -0.4569991 0.0268143 -0.4098905 0.0795414 -0.0923757 0.5229761 -0.3586172 0.1301315 -0.1341801 0.4277508 0.1686411 0.0622923 0.0013641 -0.0100753 -0.0237528 0.0703797 -0.012959 0.0948655 0.0766205 1.062105 0.3062925 -0.0369763 0.0444756 0.2926045 0.1387698 0.0877345 0.2617455 0.249368 0.6553878 0.2791557 -0.0179067 0.080281 1.9849812 -0.2467041 -0.0637698 -0.7602726 1.9785746 2.5844493 0.0550133 -0.8154344 0.1604754 2.9112431 -0.8342887 -0.8953095 -0.8697704 0.8897315 0.1072859 -0.0178888 0.005067 -0.019376 0.0314762 -0.0454835 -0.0013084 -0.063246 0.032229 -0.0660093 0.1884462 -0.0486724 0.0779465 0.0545935 -0.1621549 -0.0744298 -0.1808288 0.5588269 0.3580963 0.0500828 -0.0701717 -0.0459152 1.162442 -0.0402874 -0.0302036 0.1974263 0.248781 0.031355 0.0166354 0.133338 -0.023739 0.0517574 0.0859575 0.0374726 -0.0309803 0.1324077 -0.2097988 0.0418224 0.0647622 0.1212482 -0.0828743 0.0930295 0.055985 0.098409 0.0042278 0.1490971 -0.0175214 0.0001303 -0.0137625 0.1269591 -0.0181298 0.0478603 0.0008713 -0.0281072 0.5332693 0.0341973 -0.1791822 0.3947035 -0.1028061 -0.1146973 -0.0917586 0.0172699 -0.1159864 0.8149376 -0.3142039 -0.3897683 -0.6355134 0.0520983 0.2119038 -0.3916201 0.119262 0.2106312 -0.2177025 0.0903796 0.0096423 0.0950916 -0.0568665 0.0609505 -0.0344399 0.0513055 -0.1599585 0.0196428 0.2712607 -0.1719467 0.2149327 0.3105282 -0.2333855 -0.1847593 -0.233243 0.1820972 0.0251975 0.1348976 0.0376864 0.0900256 0.1449053 0.1500223 0.0075092 0.1270957 -0.1156856 -0.2565691 0.0965214 -0.2393095 0.0668724 0.1772728 -0.041737 -0.1891434 0.0110229 0.3269835 -0.3760737 0.0883779 -0.0695759 0.107394 0.0742528 -0.0587057 -0.0859258 0.0140759 -0.2926412 0.0063771 0.0610536 -0.0014744 0.0055867 0.0314546 -0.0281643 -0.0320919 -0.0433029 0.0929993 -0.1436033 -0.0693049 0.0363328 -0.0576939 0.0529339 -0.030214 0.0240968 -0.0272489 0.0383238 0.02648 0.0840983 -0.0440879 0.0685391 -0.0537677 0.0540773 -0.0254451 0.1034991 -0.007576 0.032282 -0.0453618 -0.0328265 0.0233613 0.0505771 0.0209413 -0.0493386 0.04559 0.0621768 -0.0506685 -0.0829301 0.0370008 -0.020205 0.0860422 -0.03364 0.0762091 -0.0723536 -0.063496 0.0868186 -0.0156615 0.0505988 -0.0169691 0.0567395 -0.0156651 0.0371122 -0.0465975 -0.2045988 -0.17738 -0.0690396 0.0213747 -0.025704 0.0395854 -0.0305237 0.0528285 -0.0063037 0.0820519 0.0184542 0.0922679 -0.0693434 0.0691721 -0.092404 0.0522464 -0.0724982 0.0961613 0.0553805 -0.0103328 -0.0084513 -0.0902437 0.0639599 -0.0146784 0.058403 -0.1146558 -0.0579773 -0.0011623 0.0462002 -0.0475083 0.0976893 -0.0172073 -0.0372058 0.0224216 0.1249989 0.0469019 -0.0129133 -0.0029895 -0.0197077 0.0213827 -0.0470285 0.0515325 0.1129697 0.062588 0.0868287 -0.1239667 0.0353211 0.0025684 -0.0575415 -0.0410209 -0.1743666 -0.0946435 -0.0398179 -0.0580274 0.076946 0.215024 -0.02429 -0.0192509 -0.0314732 0.1554961 -0.0202888 -0.0058908 -0.0169904 -0.010008 0.0715599 -0.0491697 -0.0005351 -0.0837564 -0.1536792 -0.0249337 -0.0341219 -0.0772671 -0.0090172 -0.1326643 0.096203 0.0903272 0.099043 0.0430229 0.0431096 0.0651822 -0.0016409 -0.0212248 0.1274394 0.0122885 0.0411436 -0.0165269 0.1129397 -0.0636491 0.021937 -0.0680493 0.2012232 0.1391215 0.0468754 -0.0132287 0.0373196 0.184146 -0.045583 -0.0093159 -0.0421541 0.1960809 0.1633668 -0.1018636 0.0122316 -0.1208188 0.0363212 0.0020663 -0.0026948 -0.007868 0.1418543 0.2037699 -0.0612964 0.0086842 -0.0707203 0.1260725 -0.013405 -0.0089945 -0.0304124 0.0490655 0.0008147 -0.0880202 0.0122589 -0.0602934 0.1043141 -0.0374411 0.0367379 -0.0367615 0.1833249 0.1621161 -0.0618037 0.0515731 -0.0423694 -0.158129 -0.0307734 0.0346867 -0.0309717 0.0395763 0.1726918 -0.058281 0.1000568 -0.0614972 0.0051785 0.0998782 0.079234 0.0572979 -0.0413875 0.1719748 -0.0561161 0.038034 -0.0338365 -0.1170856 -0.0635006 0.0416539 -0.0074163 0.0745818 316.1926578|27.0121058|338.4362809|-16.4112037|5.849741|311.5006746 0.000000006 0.000002650 0.000006600 0.000010380 0.000002729 0.000005329 0.000001621 -0.000003842 0.000005520 0.000015146 -0.000010506 0.000000120 0.000004436 -0.000004443 -0.000026053 0.000021522 0.000011674 0.000018924 -0.000005334 -0.000005655 -0.000003078 0.000006258 -0.000010255 0.000026475 0.000008416 0.000001994 -0.000006768 -0.000007444 0.000009766 0.000009530 -0.000012317 0.000014788 -0.000020003 -0.000021104 0.000008338 -0.000015158 0.000005794 -0.000001763 -0.000004952 0.000000202 -0.000006626 0.000014613 0.000001469 -0.000005821 0.000001066 -0.000003917 -0.000003657 0.000003023 -0.000007231 0.000014358 -0.000007764 -0.000002034 -0.000000612 0.000005509 0.000002296 -0.000000061 -0.000007163 -0.000008203 -0.000008329 -0.000006968 0.000004855 0.000002297 -0.000005587 -0.000010295 -0.000013844 -0.000004151 0.000003211 0.000001527 0.000003246 0.000000015 -0.000000965 0.000003793 -0.000003914 0.000002047 0.000000788 0.000002604 0.000002298 -0.000001667 -0.000002382 0.000001228 0.000007256 -0.000000614 -0.000000231 0.000001947 0.000000271 -0.000002873 -0.000007376 0.000003028 0.000001819 -0.000008971 -0.000001105 0.000002639 -0.000001813 -0.000001475 -0.000000227 -0.000000769 -0.000005437 0.000002250 -0.000006167 -0.000001113 0.000004910 0.000004475 -0.000004355 -0.000002150 0.000002034 0.000001557 -0.000004001 0.000002592 0.000000915 -0.000000581 0.000003429 0.000005229 0.000000894 -0.000001358 -0.000001144 0.000000085 0.000001005 -0.000001983 -0.000000961 0.000004758 0.000001210 -0.000002068 -0.000001096 0.000005306 -0.000001564 0.000000503 -0.000002060 0.000002318 -0.000001795 0.000002150 0.000000260 -0.000002172 0.000001565 -0.000004602 -0.000002734 -0.000002598 0.000000740 0.000005900 -0.000002394 0.000002688 0.000003003 -0.000001008 0.000001338 0.000002126 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 12-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/CONF539/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 CONF539 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 2336.5989969956 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 -0.0584355615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.179483 0.000000 2.251389 3.017008 0.000000 5.841338 4.390130 4.776885 0.000000 3.568998 3.113191 2.847305 2.288825 0.000000 4.982768 4.939396 3.830733 2.286395 2.371359 0.000000 5.729643 6.346162 4.418767 4.400472 4.272916 2.219606 0.000000 2.384226 3.792132 2.421777 3.602749 1.475154 2.879224 4.272153 0.000000 2.735239 4.686161 3.730007 4.367579 2.505827 4.015329 5.498902 1.538069 0.000000 4.049561 2.434017 3.539717 2.745183 1.484931 3.719559 5.688533 2.526951 3.017497 0.000000 1.330629 3.365296 1.213053 4.679783 2.471502 3.802349 4.676295 1.536219 2.601586 3.184353 0.000000 4.747296 3.983139 3.715578 1.223159 1.357446 1.432042 3.604962 2.498544 3.488438 2.418353 3.566308 0.000000 4.237169 5.650907 4.957865 4.075660 2.983662 3.987761 5.654507 2.544759 1.529101 3.506746 3.944182 3.468904 0.000000 3.601402 1.371972 3.122193 4.057719 2.469567 4.709204 6.374488 3.024741 3.567700 1.485022 2.942906 3.598624 4.503264 0.000000 1.462240 4.680674 2.715158 7.051030 4.809440 6.103975 6.525126 3.754594 4.186961 5.187936 2.392541 5.957613 5.693002 4.418614 0.000000 2.463412 5.784277 3.231876 7.704948 5.582517 6.339799 6.237726 4.429400 5.006201 6.260920 3.136722 6.529819 6.399539 5.659798 1.520903 0.000000 3.364941 2.233830 3.590435 5.321525 3.519717 5.812983 7.357843 3.599338 3.763263 2.616272 3.225056 4.784061 4.899058 1.361328 3.963747 5.396154 0.000000 2.963864 6.872359 4.206512 8.120152 6.041797 6.582233 6.372096 4.681738 4.950495 6.868557 3.779865 6.911774 6.175901 6.514941 2.563184 1.541043 6.254697 0.000000 6.161206 6.278202 5.155989 2.880040 3.601792 1.388581 2.258905 4.024866 4.905209 4.875634 5.069503 2.488429 4.504898 6.004580 7.311108 7.414863 7.109213 7.463557 0.000000 4.726506 5.060147 3.296314 3.487630 3.038542 1.379027 1.309999 3.156169 4.515515 4.428672 3.556104 2.533505 4.837857 5.066265 5.600501 5.569216 6.069871 5.887892 2.222673 0.000000 3.856770 2.235511 3.762576 6.252522 4.504189 6.612305 7.907228 4.573942 4.981623 3.717683 3.775976 5.699203 6.225249 2.243202 3.945553 5.339439 1.434322 6.464539 7.973479 6.635612 0.000000 4.290690 1.365230 3.416268 5.743222 4.266906 6.116077 7.313916 4.622103 5.392157 3.590618 3.816503 5.259107 6.551377 2.203369 4.391938 5.575588 2.233384 6.821822 7.486787 6.056759 1.358701 0.000000 6.512857 6.989006 5.403825 4.106798 4.525841 2.190685 1.387018 4.690430 5.690194 5.906261 5.465341 3.569961 5.466160 6.859769 7.496411 7.325466 7.913500 7.313869 1.363148 2.153380 8.641307 8.095668 0.000000 3.602234 7.655831 5.319038 9.124714 6.957457 7.773287 7.760320 5.550759 5.449142 7.595431 4.722554 7.951338 6.667091 7.154771 3.098634 2.537852 6.635596 1.502080 8.653786 7.223461 6.852738 7.462306 8.610816 0.000000 3.820710 7.931685 5.850889 9.140625 6.995278 7.960436 8.205787 5.560282 5.090927 7.541527 5.018903 8.022149 6.174719 7.215617 3.700221 3.571810 6.619050 2.517372 8.781023 7.625253 7.047723 7.814166 8.883678 1.332479 0.000000 2.897311 4.645991 2.766317 3.747353 2.081053 2.375939 3.419520 1.091099 2.124467 3.420877 2.083521 2.564303 2.747899 4.037402 4.168594 4.480649 4.667343 4.517766 3.345832 2.497768 5.558267 5.502261 3.823113 5.540405 5.615751 0.000000 2.812770 4.334671 3.967491 4.732075 2.832486 4.780573 6.388387 2.175536 1.092042 2.785346 2.869409 3.996196 2.171995 3.071172 4.152896 5.243295 2.988188 5.354421 5.765871 5.301421 4.296054 4.903659 6.625088 5.670103 5.247872 3.041247 0.000000 2.481790 5.416273 3.972075 5.330025 3.413765 4.622128 5.747205 2.130524 1.091575 4.029857 2.777976 4.357163 2.158487 4.369707 3.832504 4.480171 4.349018 4.157647 5.437643 4.897793 5.435895 5.951059 6.027777 4.529714 4.083994 2.402257 1.748635 0.000000 5.059560 2.619062 4.216004 2.296328 2.083588 3.836798 5.872325 3.417899 4.001662 1.088060 4.082418 2.444018 4.240964 2.119731 6.134224 7.160741 3.366655 7.830339 4.885329 4.657097 4.283585 3.903322 5.982917 8.626950 8.612344 4.160732 3.822766 5.042766 0.000000 4.316365 3.320753 4.322597 3.205284 2.123275 4.296791 6.349063 2.831381 2.729244 1.091103 3.706699 2.997169 2.978262 2.113741 5.554099 6.697967 2.806793 7.137971 5.298149 5.148839 4.131390 4.307766 6.419650 7.697793 7.453549 3.742529 2.306288 3.781378 1.759361 0.000000 4.798869 6.454183 5.849929 5.041079 4.005788 5.060647 6.662006 3.490565 2.165995 4.314610 4.754310 4.531898 1.093203 5.210586 6.206491 6.949772 5.395950 6.583165 5.479976 5.899038 6.763345 7.257481 6.422357 6.851161 6.157497 3.721646 2.512219 2.481794 5.058224 3.589589 0.000000 4.599049 6.231510 5.141679 4.120571 3.289619 3.582915 5.007102 2.782460 2.177590 4.161675 4.212296 3.450344 1.094863 5.221768 6.027860 6.492993 5.736717 6.129607 3.842264 4.400761 6.987133 7.189334 4.692695 6.749604 6.327696 2.537746 3.084214 2.523616 4.804446 3.827565 1.768083 0.000000 4.816264 5.347884 5.180900 3.332681 2.716414 3.824032 5.774704 2.852665 2.189492 2.991623 4.310992 3.015349 1.093609 4.217720 6.268950 7.078173 4.803855 7.029217 4.325336 4.890750 6.164129 6.378273 5.474455 7.587120 7.150596 3.187899 2.541924 3.081888 3.518561 2.380374 1.764524 1.767983 0.000000 2.085983 4.025295 2.482051 6.979874 4.818098 6.213458 6.690951 4.049786 4.688794 5.025918 2.563445 5.962876 6.195397 4.033050 1.090241 2.174744 3.593077 3.512896 7.507736 5.684811 3.237945 3.538694 7.722605 4.102403 4.752096 4.578367 4.538099 4.556194 5.868764 5.532537 6.790220 6.591247 6.613390 0.000000 2.016189 5.273971 3.708371 7.766029 5.483155 6.959942 7.497387 4.386320 4.468621 5.689307 3.207003 6.711231 5.970373 4.858234 1.089438 2.175295 4.122519 2.839543 8.145087 6.566537 4.116655 4.849348 8.398650 2.804116 3.193803 4.883336 4.260859 4.002640 6.687511 5.886360 6.308971 6.409483 6.599834 1.779397 0.000000 2.770502 5.533274 2.733175 7.223109 5.259694 5.711073 5.387299 4.247131 5.123757 6.084673 2.960743 6.046807 6.436729 5.578985 2.147298 1.093065 5.566692 2.165509 6.768814 4.783870 5.492047 5.462979 6.567736 3.466883 4.487606 4.157257 5.486883 4.739812 6.883350 6.661909 7.126250 6.421309 7.032724 2.470131 3.067074 0.000000 3.382385 6.366945 4.030263 8.669097 6.548722 7.339949 7.138491 5.462010 6.022245 7.125755 4.089742 7.514660 7.448142 6.368006 2.119535 1.096211 5.984382 2.176688 8.432526 6.503473 5.697170 5.948822 8.290626 2.775198 3.960313 5.558336 6.162479 5.490387 8.002575 7.586425 7.964495 7.576927 8.114191 2.479507 2.483834 1.759813 0.000000 3.400003 3.273652 4.212033 5.738158 3.890905 6.221095 7.823535 3.740960 3.455695 3.023871 3.561262 5.191828 4.548280 2.176808 4.105938 5.576981 1.078754 6.222703 7.439861 6.571078 2.258597 3.280783 8.290435 6.398785 6.177254 4.813359 2.486152 3.951652 3.883067 2.823441 4.843706 5.485919 4.551612 3.978743 4.031166 5.910357 6.191467 0.000000 2.633166 6.601503 3.920865 7.321934 5.316514 5.755804 5.660811 3.900733 4.103639 6.250498 3.301628 6.116915 5.212459 6.114286 2.811722 2.167709 5.991440 1.094423 6.562987 5.183665 6.425852 6.757354 6.474506 2.139828 2.648357 3.621047 4.660079 3.281959 7.210964 6.461072 5.636754 5.087002 6.099193 3.796305 3.186601 2.509576 3.075942 5.914608 0.000000 3.937935 7.650909 4.819538 8.710106 6.755021 6.969881 6.404295 5.435378 5.824320 7.702569 4.565878 7.487768 6.951802 7.399178 3.481501 2.148156 7.232490 1.096272 7.741777 6.124011 7.380883 7.620609 7.399289 2.131486 3.234898 5.099819 6.329396 5.036313 8.614455 8.035154 7.393722 6.766177 7.811700 4.305936 3.837788 2.428340 2.506282 7.264655 1.760870 0.000000 6.791774 6.729356 5.945875 2.778979 3.954744 2.156868 3.319863 4.513221 5.144762 5.045013 5.742272 2.766012 4.441309 6.335248 8.038606 8.255369 7.452708 8.249831 1.076796 3.246020 8.432452 8.000865 2.239956 9.350021 9.349585 3.953908 5.955774 5.761971 4.952447 5.303466 5.321875 3.790221 4.099098 8.252383 8.802717 7.682488 9.298111 7.705293 7.297624 8.588576 0.000000 4.076121 4.369187 2.358220 3.884897 2.934717 2.151418 2.140719 2.939135 4.435411 4.199767 2.878888 2.849941 5.081090 4.526757 4.777138 4.772476 5.445611 5.318496 3.249798 1.078706 5.838393 5.222656 3.208454 6.673166 7.189154 2.515928 5.089019 4.775662 4.521121 5.028601 6.132407 4.825084 5.182546 4.748100 5.794106 3.945356 5.645527 6.035183 4.760738 5.597260 4.223509 0.000000 4.294384 3.275989 4.498497 7.319076 5.504344 7.601515 8.796357 5.413649 5.691832 4.743779 4.487617 6.734858 6.998701 3.290341 4.083754 5.483179 2.259405 6.631923 8.965712 7.551817 1.079080 2.179289 9.586607 6.834064 7.036862 6.379111 4.945527 6.004591 5.338040 5.056022 7.439179 7.786192 7.022019 3.356265 4.031022 5.786316 5.661000 2.746288 6.741841 7.556522 9.446142 6.707909 0.000000 5.042622 2.078131 3.885454 6.356412 5.053413 6.654177 7.646068 5.449665 6.355080 4.487162 4.530359 5.907868 7.517768 3.198888 4.928233 5.949086 3.303959 7.316332 8.013861 6.450816 2.242906 1.078138 8.517195 8.021359 8.508278 6.233481 5.934935 6.879844 4.654462 5.288966 8.269272 8.089832 7.335162 3.947659 5.445556 5.737757 6.186584 4.335683 7.351971 8.021648 8.589393 5.554140 2.744184 0.000000 7.460788 8.062518 6.417255 5.015550 5.577068 3.246765 2.158229 5.691086 6.597241 6.949172 6.470772 4.588477 6.258003 7.933254 8.417215 8.132471 8.979556 8.006456 2.197921 3.176887 9.714407 9.165929 1.079059 9.300099 9.569316 4.769961 7.571529 6.864805 6.999657 7.417263 7.142990 5.385739 6.294353 8.688578 9.311165 7.362666 9.079091 9.329706 7.163589 7.985916 2.760672 4.195624 10.651904 9.566050 0.000000 4.380137 8.235196 5.962381 10.039717 7.844616 8.688205 8.576599 6.483418 6.445640 8.419555 5.506885 8.864619 7.712878 7.839815 3.560985 2.894082 7.231979 2.205913 9.605371 8.053490 7.263631 7.884526 9.508162 1.090182 2.092119 6.510478 6.586901 5.563379 9.439302 8.564041 7.894142 7.824036 8.607949 4.415623 3.163540 3.855643 2.697043 7.032532 3.090510 2.525277 10.341035 7.425238 7.106167 8.347694 10.191297 0.000000 4.702150 8.695204 6.803924 10.049921 7.892821 8.973588 9.282611 6.485238 5.874267 8.321447 5.957991 8.964258 6.908150 7.936776 4.492194 4.462507 7.205132 3.505962 9.792484 8.685528 7.601233 8.485310 9.933605 2.115273 1.085778 6.610709 5.905831 4.880310 9.404942 8.151103 6.755623 7.132052 7.880815 5.481768 3.789452 5.444587 4.680558 6.663224 3.730520 4.140155 10.318333 8.242766 7.468028 9.187678 10.612837 2.433244 0.000000 3.513710 7.600825 5.578133 8.378260 6.315135 7.250173 7.642361 4.870891 4.238653 6.904751 4.606054 7.291493 5.194649 6.765084 3.818442 3.856601 6.278081 2.781523 8.002518 7.055872 6.912114 7.655552 8.188990 2.114279 1.087197 4.892929 4.487363 3.181877 7.971471 6.736493 5.132147 5.323952 6.205887 4.890484 3.453644 4.630137 4.490123 5.782044 2.460205 3.564963 8.495702 6.736606 7.040975 8.434438 8.869028 3.072454 1.851169 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2594177 0.1783544 0.1359350 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= 1.10D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 711 710 710 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28906768471 -1165.28906768471 0.000000000004 -1165.28906768 2 1.160426364858e+03 -7.389592765508e+03 2.727334450506e+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. PT2208.100S Wed Jan 12 17:00:48 2022 GINC-DEPAZ22 PAULAPLA 12-Jan-2022 0 Wavefunction pefurazoate CONF539 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2890677 RMSD=3.043e-10 Dipole=-1.4289499,-1.9473083,2.5443155 Quadrupole=-1.1606284,4.0833093,-2.922681,5.8520995,4.8627047,9.826307 PG=C01 [X(C18H23N3O4)] 0 -0.2955312498 -1.7955071518 0.8556975838 0 -2.7411744132 0.3551159207 -1.7637919965 0 -0.0868663192 -0.9764790034 -1.2310228361 0 -0.1543110917 3.7856789944 -0.8623371225 0 -0.414754108 1.6310500826 -0.1353814642 0 1.6730260439 2.4138265217 -0.9427108718 0 3.4934648368 1.5356982051 -1.8600685703 0 0.1821386542 0.5308820082 0.6452770958 0 -0.1641142512 0.6150909128 2.1414966548 0 -1.8827596698 1.8247444625 -0.0237481232 0 -0.1076930763 -0.8189688502 -0.0284199081 0 0.2975853763 2.6713333357 -0.6384139733 0 0.2527346381 1.952317705 2.7548584086 0 -2.6475827253 0.6150409132 -0.4199222672 0 -0.4718463284 -3.1540562386 0.3444228034 0 0.8658950823 -3.8003934139 0.0190870573 0 -3.2853507263 -0.3627516056 0.2803539664 0 1.8538898301 -3.8066610512 1.2017279897 0 2.690015962 3.3432295549 -0.7692200971 0 2.218999625 1.3461329259 -1.623635211 0 -3.7959024841 -1.2937895686 -0.6838991363 0 -3.432641879 -0.8139080028 -1.9020223728 0 3.8000138303 2.7765616451 -1.3214562872 0 1.3636164552 -4.6104224611 2.3721318565 0 1.0626440963 -4.11431947 3.5716305684 0 1.2663468721 0.6280854412 0.5708368492 0 -1.2292031137 0.4315852484 2.2979154802 0 0.365489801 -0.2000562522 2.6380754216 0 -2.1461969938 2.6593589807 -0.6701960674 0 -2.147652389 2.1006922763 0.9981080924 0 0.0535901081 1.9544486406 3.8297675559 0 1.3228059175 2.1347908226 2.6121122264 0 -0.290855399 2.7939012697 2.3164199626 0 -1.1254390336 -3.1181899367 -0.5274468145 0 -0.9818887926 -3.6668283354 1.1591596111 0 1.3202458153 -3.2852489012 -0.8311967755 0 0.6568872239 -4.8272253994 -0.3027991509 0 -3.3653231785 -0.4216205447 1.3545277545 0 2.0575316539 -2.7774715636 1.5132738226 0 2.801852491 -4.2272674373 0.8463848977 0 2.5156418482 4.2831562151 -0.27361826 0 1.6230853618 0.4958849673 -1.9161603281 0 -4.3528948916 -2.1979624949 -0.4924727883 0 -3.5848919288 -1.1571162978 -2.9126705225 0 4.7991879589 3.1815755899 -1.3659768509 0 1.2317499513 -5.6773928961 2.1913521595 0 0.7028306732 -4.7476129213 4.3768562466 0 1.1693572424 -3.0547905091 3.7907390042 Gaussian 16 12-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/CONF539/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 CONF539 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 2336.5989969956 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 -0.0584355615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.179483 0.000000 2.251389 3.017008 0.000000 5.841338 4.390130 4.776885 0.000000 3.568998 3.113191 2.847305 2.288825 0.000000 4.982768 4.939396 3.830733 2.286395 2.371359 0.000000 5.729643 6.346162 4.418767 4.400472 4.272916 2.219606 0.000000 2.384226 3.792132 2.421777 3.602749 1.475154 2.879224 4.272153 0.000000 2.735239 4.686161 3.730007 4.367579 2.505827 4.015329 5.498902 1.538069 0.000000 4.049561 2.434017 3.539717 2.745183 1.484931 3.719559 5.688533 2.526951 3.017497 0.000000 1.330629 3.365296 1.213053 4.679783 2.471502 3.802349 4.676295 1.536219 2.601586 3.184353 0.000000 4.747296 3.983139 3.715578 1.223159 1.357446 1.432042 3.604962 2.498544 3.488438 2.418353 3.566308 0.000000 4.237169 5.650907 4.957865 4.075660 2.983662 3.987761 5.654507 2.544759 1.529101 3.506746 3.944182 3.468904 0.000000 3.601402 1.371972 3.122193 4.057719 2.469567 4.709204 6.374488 3.024741 3.567700 1.485022 2.942906 3.598624 4.503264 0.000000 1.462240 4.680674 2.715158 7.051030 4.809440 6.103975 6.525126 3.754594 4.186961 5.187936 2.392541 5.957613 5.693002 4.418614 0.000000 2.463412 5.784277 3.231876 7.704948 5.582517 6.339799 6.237726 4.429400 5.006201 6.260920 3.136722 6.529819 6.399539 5.659798 1.520903 0.000000 3.364941 2.233830 3.590435 5.321525 3.519717 5.812983 7.357843 3.599338 3.763263 2.616272 3.225056 4.784061 4.899058 1.361328 3.963747 5.396154 0.000000 2.963864 6.872359 4.206512 8.120152 6.041797 6.582233 6.372096 4.681738 4.950495 6.868557 3.779865 6.911774 6.175901 6.514941 2.563184 1.541043 6.254697 0.000000 6.161206 6.278202 5.155989 2.880040 3.601792 1.388581 2.258905 4.024866 4.905209 4.875634 5.069503 2.488429 4.504898 6.004580 7.311108 7.414863 7.109213 7.463557 0.000000 4.726506 5.060147 3.296314 3.487630 3.038542 1.379027 1.309999 3.156169 4.515515 4.428672 3.556104 2.533505 4.837857 5.066265 5.600501 5.569216 6.069871 5.887892 2.222673 0.000000 3.856770 2.235511 3.762576 6.252522 4.504189 6.612305 7.907228 4.573942 4.981623 3.717683 3.775976 5.699203 6.225249 2.243202 3.945553 5.339439 1.434322 6.464539 7.973479 6.635612 0.000000 4.290690 1.365230 3.416268 5.743222 4.266906 6.116077 7.313916 4.622103 5.392157 3.590618 3.816503 5.259107 6.551377 2.203369 4.391938 5.575588 2.233384 6.821822 7.486787 6.056759 1.358701 0.000000 6.512857 6.989006 5.403825 4.106798 4.525841 2.190685 1.387018 4.690430 5.690194 5.906261 5.465341 3.569961 5.466160 6.859769 7.496411 7.325466 7.913500 7.313869 1.363148 2.153380 8.641307 8.095668 0.000000 3.602234 7.655831 5.319038 9.124714 6.957457 7.773287 7.760320 5.550759 5.449142 7.595431 4.722554 7.951338 6.667091 7.154771 3.098634 2.537852 6.635596 1.502080 8.653786 7.223461 6.852738 7.462306 8.610816 0.000000 3.820710 7.931685 5.850889 9.140625 6.995278 7.960436 8.205787 5.560282 5.090927 7.541527 5.018903 8.022149 6.174719 7.215617 3.700221 3.571810 6.619050 2.517372 8.781023 7.625253 7.047723 7.814166 8.883678 1.332479 0.000000 2.897311 4.645991 2.766317 3.747353 2.081053 2.375939 3.419520 1.091099 2.124467 3.420877 2.083521 2.564303 2.747899 4.037402 4.168594 4.480649 4.667343 4.517766 3.345832 2.497768 5.558267 5.502261 3.823113 5.540405 5.615751 0.000000 2.812770 4.334671 3.967491 4.732075 2.832486 4.780573 6.388387 2.175536 1.092042 2.785346 2.869409 3.996196 2.171995 3.071172 4.152896 5.243295 2.988188 5.354421 5.765871 5.301421 4.296054 4.903659 6.625088 5.670103 5.247872 3.041247 0.000000 2.481790 5.416273 3.972075 5.330025 3.413765 4.622128 5.747205 2.130524 1.091575 4.029857 2.777976 4.357163 2.158487 4.369707 3.832504 4.480171 4.349018 4.157647 5.437643 4.897793 5.435895 5.951059 6.027777 4.529714 4.083994 2.402257 1.748635 0.000000 5.059560 2.619062 4.216004 2.296328 2.083588 3.836798 5.872325 3.417899 4.001662 1.088060 4.082418 2.444018 4.240964 2.119731 6.134224 7.160741 3.366655 7.830339 4.885329 4.657097 4.283585 3.903322 5.982917 8.626950 8.612344 4.160732 3.822766 5.042766 0.000000 4.316365 3.320753 4.322597 3.205284 2.123275 4.296791 6.349063 2.831381 2.729244 1.091103 3.706699 2.997169 2.978262 2.113741 5.554099 6.697967 2.806793 7.137971 5.298149 5.148839 4.131390 4.307766 6.419650 7.697793 7.453549 3.742529 2.306288 3.781378 1.759361 0.000000 4.798869 6.454183 5.849929 5.041079 4.005788 5.060647 6.662006 3.490565 2.165995 4.314610 4.754310 4.531898 1.093203 5.210586 6.206491 6.949772 5.395950 6.583165 5.479976 5.899038 6.763345 7.257481 6.422357 6.851161 6.157497 3.721646 2.512219 2.481794 5.058224 3.589589 0.000000 4.599049 6.231510 5.141679 4.120571 3.289619 3.582915 5.007102 2.782460 2.177590 4.161675 4.212296 3.450344 1.094863 5.221768 6.027860 6.492993 5.736717 6.129607 3.842264 4.400761 6.987133 7.189334 4.692695 6.749604 6.327696 2.537746 3.084214 2.523616 4.804446 3.827565 1.768083 0.000000 4.816264 5.347884 5.180900 3.332681 2.716414 3.824032 5.774704 2.852665 2.189492 2.991623 4.310992 3.015349 1.093609 4.217720 6.268950 7.078173 4.803855 7.029217 4.325336 4.890750 6.164129 6.378273 5.474455 7.587120 7.150596 3.187899 2.541924 3.081888 3.518561 2.380374 1.764524 1.767983 0.000000 2.085983 4.025295 2.482051 6.979874 4.818098 6.213458 6.690951 4.049786 4.688794 5.025918 2.563445 5.962876 6.195397 4.033050 1.090241 2.174744 3.593077 3.512896 7.507736 5.684811 3.237945 3.538694 7.722605 4.102403 4.752096 4.578367 4.538099 4.556194 5.868764 5.532537 6.790220 6.591247 6.613390 0.000000 2.016189 5.273971 3.708371 7.766029 5.483155 6.959942 7.497387 4.386320 4.468621 5.689307 3.207003 6.711231 5.970373 4.858234 1.089438 2.175295 4.122519 2.839543 8.145087 6.566537 4.116655 4.849348 8.398650 2.804116 3.193803 4.883336 4.260859 4.002640 6.687511 5.886360 6.308971 6.409483 6.599834 1.779397 0.000000 2.770502 5.533274 2.733175 7.223109 5.259694 5.711073 5.387299 4.247131 5.123757 6.084673 2.960743 6.046807 6.436729 5.578985 2.147298 1.093065 5.566692 2.165509 6.768814 4.783870 5.492047 5.462979 6.567736 3.466883 4.487606 4.157257 5.486883 4.739812 6.883350 6.661909 7.126250 6.421309 7.032724 2.470131 3.067074 0.000000 3.382385 6.366945 4.030263 8.669097 6.548722 7.339949 7.138491 5.462010 6.022245 7.125755 4.089742 7.514660 7.448142 6.368006 2.119535 1.096211 5.984382 2.176688 8.432526 6.503473 5.697170 5.948822 8.290626 2.775198 3.960313 5.558336 6.162479 5.490387 8.002575 7.586425 7.964495 7.576927 8.114191 2.479507 2.483834 1.759813 0.000000 3.400003 3.273652 4.212033 5.738158 3.890905 6.221095 7.823535 3.740960 3.455695 3.023871 3.561262 5.191828 4.548280 2.176808 4.105938 5.576981 1.078754 6.222703 7.439861 6.571078 2.258597 3.280783 8.290435 6.398785 6.177254 4.813359 2.486152 3.951652 3.883067 2.823441 4.843706 5.485919 4.551612 3.978743 4.031166 5.910357 6.191467 0.000000 2.633166 6.601503 3.920865 7.321934 5.316514 5.755804 5.660811 3.900733 4.103639 6.250498 3.301628 6.116915 5.212459 6.114286 2.811722 2.167709 5.991440 1.094423 6.562987 5.183665 6.425852 6.757354 6.474506 2.139828 2.648357 3.621047 4.660079 3.281959 7.210964 6.461072 5.636754 5.087002 6.099193 3.796305 3.186601 2.509576 3.075942 5.914608 0.000000 3.937935 7.650909 4.819538 8.710106 6.755021 6.969881 6.404295 5.435378 5.824320 7.702569 4.565878 7.487768 6.951802 7.399178 3.481501 2.148156 7.232490 1.096272 7.741777 6.124011 7.380883 7.620609 7.399289 2.131486 3.234898 5.099819 6.329396 5.036313 8.614455 8.035154 7.393722 6.766177 7.811700 4.305936 3.837788 2.428340 2.506282 7.264655 1.760870 0.000000 6.791774 6.729356 5.945875 2.778979 3.954744 2.156868 3.319863 4.513221 5.144762 5.045013 5.742272 2.766012 4.441309 6.335248 8.038606 8.255369 7.452708 8.249831 1.076796 3.246020 8.432452 8.000865 2.239956 9.350021 9.349585 3.953908 5.955774 5.761971 4.952447 5.303466 5.321875 3.790221 4.099098 8.252383 8.802717 7.682488 9.298111 7.705293 7.297624 8.588576 0.000000 4.076121 4.369187 2.358220 3.884897 2.934717 2.151418 2.140719 2.939135 4.435411 4.199767 2.878888 2.849941 5.081090 4.526757 4.777138 4.772476 5.445611 5.318496 3.249798 1.078706 5.838393 5.222656 3.208454 6.673166 7.189154 2.515928 5.089019 4.775662 4.521121 5.028601 6.132407 4.825084 5.182546 4.748100 5.794106 3.945356 5.645527 6.035183 4.760738 5.597260 4.223509 0.000000 4.294384 3.275989 4.498497 7.319076 5.504344 7.601515 8.796357 5.413649 5.691832 4.743779 4.487617 6.734858 6.998701 3.290341 4.083754 5.483179 2.259405 6.631923 8.965712 7.551817 1.079080 2.179289 9.586607 6.834064 7.036862 6.379111 4.945527 6.004591 5.338040 5.056022 7.439179 7.786192 7.022019 3.356265 4.031022 5.786316 5.661000 2.746288 6.741841 7.556522 9.446142 6.707909 0.000000 5.042622 2.078131 3.885454 6.356412 5.053413 6.654177 7.646068 5.449665 6.355080 4.487162 4.530359 5.907868 7.517768 3.198888 4.928233 5.949086 3.303959 7.316332 8.013861 6.450816 2.242906 1.078138 8.517195 8.021359 8.508278 6.233481 5.934935 6.879844 4.654462 5.288966 8.269272 8.089832 7.335162 3.947659 5.445556 5.737757 6.186584 4.335683 7.351971 8.021648 8.589393 5.554140 2.744184 0.000000 7.460788 8.062518 6.417255 5.015550 5.577068 3.246765 2.158229 5.691086 6.597241 6.949172 6.470772 4.588477 6.258003 7.933254 8.417215 8.132471 8.979556 8.006456 2.197921 3.176887 9.714407 9.165929 1.079059 9.300099 9.569316 4.769961 7.571529 6.864805 6.999657 7.417263 7.142990 5.385739 6.294353 8.688578 9.311165 7.362666 9.079091 9.329706 7.163589 7.985916 2.760672 4.195624 10.651904 9.566050 0.000000 4.380137 8.235196 5.962381 10.039717 7.844616 8.688205 8.576599 6.483418 6.445640 8.419555 5.506885 8.864619 7.712878 7.839815 3.560985 2.894082 7.231979 2.205913 9.605371 8.053490 7.263631 7.884526 9.508162 1.090182 2.092119 6.510478 6.586901 5.563379 9.439302 8.564041 7.894142 7.824036 8.607949 4.415623 3.163540 3.855643 2.697043 7.032532 3.090510 2.525277 10.341035 7.425238 7.106167 8.347694 10.191297 0.000000 4.702150 8.695204 6.803924 10.049921 7.892821 8.973588 9.282611 6.485238 5.874267 8.321447 5.957991 8.964258 6.908150 7.936776 4.492194 4.462507 7.205132 3.505962 9.792484 8.685528 7.601233 8.485310 9.933605 2.115273 1.085778 6.610709 5.905831 4.880310 9.404942 8.151103 6.755623 7.132052 7.880815 5.481768 3.789452 5.444587 4.680558 6.663224 3.730520 4.140155 10.318333 8.242766 7.468028 9.187678 10.612837 2.433244 0.000000 3.513710 7.600825 5.578133 8.378260 6.315135 7.250173 7.642361 4.870891 4.238653 6.904751 4.606054 7.291493 5.194649 6.765084 3.818442 3.856601 6.278081 2.781523 8.002518 7.055872 6.912114 7.655552 8.188990 2.114279 1.087197 4.892929 4.487363 3.181877 7.971471 6.736493 5.132147 5.323952 6.205887 4.890484 3.453644 4.630137 4.490123 5.782044 2.460205 3.564963 8.495702 6.736606 7.040975 8.434438 8.869028 3.072454 1.851169 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2594177 0.1783544 0.1359350 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= 1.10D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 711 710 710 711 711 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28906768471 -1165.28906768467 0.000000000040 -1165.28906768 2 1.160426364858e+03 -7.389592765508e+03 2.727334450506e+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 4.9975 248.09 0.0559 0.000 92 93 0.69356 -1165.10541277 2 Singlet-A 5.1924 238.78 0.0418 0.000 91 93 0.68456 3 Singlet-A 5.2171 237.65 0.1017 0.000 92 94 0.67164 92 96 -0.16996 92 97 -0.10166 4 Singlet-A 5.5695 222.61 0.0050 0.000 91 94 0.68631 91 96 -0.11158 5 Singlet-A 5.6213 220.56 0.0063 0.000 83 93 -0.13724 87 93 -0.11962 88 93 0.59961 88 94 -0.12485 89 93 -0.23612 6 Singlet-A 5.7222 216.67 0.0045 0.000 85 94 0.25022 85 96 -0.11896 86 94 0.22826 86 96 -0.10904 87 94 0.19646 89 93 0.18954 89 94 0.43264 89 96 -0.13132 7 Singlet-A 5.8170 213.14 0.1610 0.000 89 93 0.24213 92 96 0.55122 92 97 -0.21600 92 98 0.10261 92 99 0.15677 8 Singlet-A 5.8973 210.24 0.1172 0.000 88 93 0.14147 89 93 0.38518 90 93 -0.19781 92 95 -0.14985 92 97 0.44296 92 98 -0.15519 92 99 -0.11708 9 Singlet-A 5.9107 209.76 0.0066 0.000 89 93 0.12039 90 93 0.66807 92 97 0.13593 10 Singlet-A 5.9666 207.80 0.0094 0.000 89 93 -0.14513 92 95 0.54141 92 96 0.25608 92 97 0.29010 PT64280.700S Wed Jan 12 17:39:13 2022 GINC-DEPAZ22 PAULAPLA 12-Jan-2022 0 Electronic spectrum pefurazoate CONF539 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2890677 RMSD=3.568e-10 PG=C01 [X(C18H23N3O4)] 0 -0.2955312498 -1.7955071518 0.8556975838 0 -2.7411744132 0.3551159207 -1.7637919965 0 -0.0868663192 -0.9764790034 -1.2310228361 0 -0.1543110917 3.7856789944 -0.8623371225 0 -0.414754108 1.6310500826 -0.1353814642 0 1.6730260439 2.4138265217 -0.9427108718 0 3.4934648368 1.5356982051 -1.8600685703 0 0.1821386542 0.5308820082 0.6452770958 0 -0.1641142512 0.6150909128 2.1414966548 0 -1.8827596698 1.8247444625 -0.0237481232 0 -0.1076930763 -0.8189688502 -0.0284199081 0 0.2975853763 2.6713333357 -0.6384139733 0 0.2527346381 1.952317705 2.7548584086 0 -2.6475827253 0.6150409132 -0.4199222672 0 -0.4718463284 -3.1540562386 0.3444228034 0 0.8658950823 -3.8003934139 0.0190870573 0 -3.2853507263 -0.3627516056 0.2803539664 0 1.8538898301 -3.8066610512 1.2017279897 0 2.690015962 3.3432295549 -0.7692200971 0 2.218999625 1.3461329259 -1.623635211 0 -3.7959024841 -1.2937895686 -0.6838991363 0 -3.432641879 -0.8139080028 -1.9020223728 0 3.8000138303 2.7765616451 -1.3214562872 0 1.3636164552 -4.6104224611 2.3721318565 0 1.0626440963 -4.11431947 3.5716305684 0 1.2663468721 0.6280854412 0.5708368492 0 -1.2292031137 0.4315852484 2.2979154802 0 0.365489801 -0.2000562522 2.6380754216 0 -2.1461969938 2.6593589807 -0.6701960674 0 -2.147652389 2.1006922763 0.9981080924 0 0.0535901081 1.9544486406 3.8297675559 0 1.3228059175 2.1347908226 2.6121122264 0 -0.290855399 2.7939012697 2.3164199626 0 -1.1254390336 -3.1181899367 -0.5274468145 0 -0.9818887926 -3.6668283354 1.1591596111 0 1.3202458153 -3.2852489012 -0.8311967755 0 0.6568872239 -4.8272253994 -0.3027991509 0 -3.3653231785 -0.4216205447 1.3545277545 0 2.0575316539 -2.7774715636 1.5132738226 0 2.801852491 -4.2272674373 0.8463848977 0 2.5156418482 4.2831562151 -0.27361826 0 1.6230853618 0.4958849673 -1.9161603281 0 -4.3528948916 -2.1979624949 -0.4924727883 0 -3.5848919288 -1.1571162978 -2.9126705225 0 4.7991879589 3.1815755899 -1.3659768509 0 1.2317499513 -5.6773928961 2.1913521595 0 0.7028306732 -4.7476129213 4.3768562466 0 1.1693572424 -3.0547905091 3.7907390042 Gaussian 16 12-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/CONF539/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 CONF539 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 2336.5989969956 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 -0.0584355615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.179483 0.000000 2.251389 3.017008 0.000000 5.841338 4.390130 4.776885 0.000000 3.568998 3.113191 2.847305 2.288825 0.000000 4.982768 4.939396 3.830733 2.286395 2.371359 0.000000 5.729643 6.346162 4.418767 4.400472 4.272916 2.219606 0.000000 2.384226 3.792132 2.421777 3.602749 1.475154 2.879224 4.272153 0.000000 2.735239 4.686161 3.730007 4.367579 2.505827 4.015329 5.498902 1.538069 0.000000 4.049561 2.434017 3.539717 2.745183 1.484931 3.719559 5.688533 2.526951 3.017497 0.000000 1.330629 3.365296 1.213053 4.679783 2.471502 3.802349 4.676295 1.536219 2.601586 3.184353 0.000000 4.747296 3.983139 3.715578 1.223159 1.357446 1.432042 3.604962 2.498544 3.488438 2.418353 3.566308 0.000000 4.237169 5.650907 4.957865 4.075660 2.983662 3.987761 5.654507 2.544759 1.529101 3.506746 3.944182 3.468904 0.000000 3.601402 1.371972 3.122193 4.057719 2.469567 4.709204 6.374488 3.024741 3.567700 1.485022 2.942906 3.598624 4.503264 0.000000 1.462240 4.680674 2.715158 7.051030 4.809440 6.103975 6.525126 3.754594 4.186961 5.187936 2.392541 5.957613 5.693002 4.418614 0.000000 2.463412 5.784277 3.231876 7.704948 5.582517 6.339799 6.237726 4.429400 5.006201 6.260920 3.136722 6.529819 6.399539 5.659798 1.520903 0.000000 3.364941 2.233830 3.590435 5.321525 3.519717 5.812983 7.357843 3.599338 3.763263 2.616272 3.225056 4.784061 4.899058 1.361328 3.963747 5.396154 0.000000 2.963864 6.872359 4.206512 8.120152 6.041797 6.582233 6.372096 4.681738 4.950495 6.868557 3.779865 6.911774 6.175901 6.514941 2.563184 1.541043 6.254697 0.000000 6.161206 6.278202 5.155989 2.880040 3.601792 1.388581 2.258905 4.024866 4.905209 4.875634 5.069503 2.488429 4.504898 6.004580 7.311108 7.414863 7.109213 7.463557 0.000000 4.726506 5.060147 3.296314 3.487630 3.038542 1.379027 1.309999 3.156169 4.515515 4.428672 3.556104 2.533505 4.837857 5.066265 5.600501 5.569216 6.069871 5.887892 2.222673 0.000000 3.856770 2.235511 3.762576 6.252522 4.504189 6.612305 7.907228 4.573942 4.981623 3.717683 3.775976 5.699203 6.225249 2.243202 3.945553 5.339439 1.434322 6.464539 7.973479 6.635612 0.000000 4.290690 1.365230 3.416268 5.743222 4.266906 6.116077 7.313916 4.622103 5.392157 3.590618 3.816503 5.259107 6.551377 2.203369 4.391938 5.575588 2.233384 6.821822 7.486787 6.056759 1.358701 0.000000 6.512857 6.989006 5.403825 4.106798 4.525841 2.190685 1.387018 4.690430 5.690194 5.906261 5.465341 3.569961 5.466160 6.859769 7.496411 7.325466 7.913500 7.313869 1.363148 2.153380 8.641307 8.095668 0.000000 3.602234 7.655831 5.319038 9.124714 6.957457 7.773287 7.760320 5.550759 5.449142 7.595431 4.722554 7.951338 6.667091 7.154771 3.098634 2.537852 6.635596 1.502080 8.653786 7.223461 6.852738 7.462306 8.610816 0.000000 3.820710 7.931685 5.850889 9.140625 6.995278 7.960436 8.205787 5.560282 5.090927 7.541527 5.018903 8.022149 6.174719 7.215617 3.700221 3.571810 6.619050 2.517372 8.781023 7.625253 7.047723 7.814166 8.883678 1.332479 0.000000 2.897311 4.645991 2.766317 3.747353 2.081053 2.375939 3.419520 1.091099 2.124467 3.420877 2.083521 2.564303 2.747899 4.037402 4.168594 4.480649 4.667343 4.517766 3.345832 2.497768 5.558267 5.502261 3.823113 5.540405 5.615751 0.000000 2.812770 4.334671 3.967491 4.732075 2.832486 4.780573 6.388387 2.175536 1.092042 2.785346 2.869409 3.996196 2.171995 3.071172 4.152896 5.243295 2.988188 5.354421 5.765871 5.301421 4.296054 4.903659 6.625088 5.670103 5.247872 3.041247 0.000000 2.481790 5.416273 3.972075 5.330025 3.413765 4.622128 5.747205 2.130524 1.091575 4.029857 2.777976 4.357163 2.158487 4.369707 3.832504 4.480171 4.349018 4.157647 5.437643 4.897793 5.435895 5.951059 6.027777 4.529714 4.083994 2.402257 1.748635 0.000000 5.059560 2.619062 4.216004 2.296328 2.083588 3.836798 5.872325 3.417899 4.001662 1.088060 4.082418 2.444018 4.240964 2.119731 6.134224 7.160741 3.366655 7.830339 4.885329 4.657097 4.283585 3.903322 5.982917 8.626950 8.612344 4.160732 3.822766 5.042766 0.000000 4.316365 3.320753 4.322597 3.205284 2.123275 4.296791 6.349063 2.831381 2.729244 1.091103 3.706699 2.997169 2.978262 2.113741 5.554099 6.697967 2.806793 7.137971 5.298149 5.148839 4.131390 4.307766 6.419650 7.697793 7.453549 3.742529 2.306288 3.781378 1.759361 0.000000 4.798869 6.454183 5.849929 5.041079 4.005788 5.060647 6.662006 3.490565 2.165995 4.314610 4.754310 4.531898 1.093203 5.210586 6.206491 6.949772 5.395950 6.583165 5.479976 5.899038 6.763345 7.257481 6.422357 6.851161 6.157497 3.721646 2.512219 2.481794 5.058224 3.589589 0.000000 4.599049 6.231510 5.141679 4.120571 3.289619 3.582915 5.007102 2.782460 2.177590 4.161675 4.212296 3.450344 1.094863 5.221768 6.027860 6.492993 5.736717 6.129607 3.842264 4.400761 6.987133 7.189334 4.692695 6.749604 6.327696 2.537746 3.084214 2.523616 4.804446 3.827565 1.768083 0.000000 4.816264 5.347884 5.180900 3.332681 2.716414 3.824032 5.774704 2.852665 2.189492 2.991623 4.310992 3.015349 1.093609 4.217720 6.268950 7.078173 4.803855 7.029217 4.325336 4.890750 6.164129 6.378273 5.474455 7.587120 7.150596 3.187899 2.541924 3.081888 3.518561 2.380374 1.764524 1.767983 0.000000 2.085983 4.025295 2.482051 6.979874 4.818098 6.213458 6.690951 4.049786 4.688794 5.025918 2.563445 5.962876 6.195397 4.033050 1.090241 2.174744 3.593077 3.512896 7.507736 5.684811 3.237945 3.538694 7.722605 4.102403 4.752096 4.578367 4.538099 4.556194 5.868764 5.532537 6.790220 6.591247 6.613390 0.000000 2.016189 5.273971 3.708371 7.766029 5.483155 6.959942 7.497387 4.386320 4.468621 5.689307 3.207003 6.711231 5.970373 4.858234 1.089438 2.175295 4.122519 2.839543 8.145087 6.566537 4.116655 4.849348 8.398650 2.804116 3.193803 4.883336 4.260859 4.002640 6.687511 5.886360 6.308971 6.409483 6.599834 1.779397 0.000000 2.770502 5.533274 2.733175 7.223109 5.259694 5.711073 5.387299 4.247131 5.123757 6.084673 2.960743 6.046807 6.436729 5.578985 2.147298 1.093065 5.566692 2.165509 6.768814 4.783870 5.492047 5.462979 6.567736 3.466883 4.487606 4.157257 5.486883 4.739812 6.883350 6.661909 7.126250 6.421309 7.032724 2.470131 3.067074 0.000000 3.382385 6.366945 4.030263 8.669097 6.548722 7.339949 7.138491 5.462010 6.022245 7.125755 4.089742 7.514660 7.448142 6.368006 2.119535 1.096211 5.984382 2.176688 8.432526 6.503473 5.697170 5.948822 8.290626 2.775198 3.960313 5.558336 6.162479 5.490387 8.002575 7.586425 7.964495 7.576927 8.114191 2.479507 2.483834 1.759813 0.000000 3.400003 3.273652 4.212033 5.738158 3.890905 6.221095 7.823535 3.740960 3.455695 3.023871 3.561262 5.191828 4.548280 2.176808 4.105938 5.576981 1.078754 6.222703 7.439861 6.571078 2.258597 3.280783 8.290435 6.398785 6.177254 4.813359 2.486152 3.951652 3.883067 2.823441 4.843706 5.485919 4.551612 3.978743 4.031166 5.910357 6.191467 0.000000 2.633166 6.601503 3.920865 7.321934 5.316514 5.755804 5.660811 3.900733 4.103639 6.250498 3.301628 6.116915 5.212459 6.114286 2.811722 2.167709 5.991440 1.094423 6.562987 5.183665 6.425852 6.757354 6.474506 2.139828 2.648357 3.621047 4.660079 3.281959 7.210964 6.461072 5.636754 5.087002 6.099193 3.796305 3.186601 2.509576 3.075942 5.914608 0.000000 3.937935 7.650909 4.819538 8.710106 6.755021 6.969881 6.404295 5.435378 5.824320 7.702569 4.565878 7.487768 6.951802 7.399178 3.481501 2.148156 7.232490 1.096272 7.741777 6.124011 7.380883 7.620609 7.399289 2.131486 3.234898 5.099819 6.329396 5.036313 8.614455 8.035154 7.393722 6.766177 7.811700 4.305936 3.837788 2.428340 2.506282 7.264655 1.760870 0.000000 6.791774 6.729356 5.945875 2.778979 3.954744 2.156868 3.319863 4.513221 5.144762 5.045013 5.742272 2.766012 4.441309 6.335248 8.038606 8.255369 7.452708 8.249831 1.076796 3.246020 8.432452 8.000865 2.239956 9.350021 9.349585 3.953908 5.955774 5.761971 4.952447 5.303466 5.321875 3.790221 4.099098 8.252383 8.802717 7.682488 9.298111 7.705293 7.297624 8.588576 0.000000 4.076121 4.369187 2.358220 3.884897 2.934717 2.151418 2.140719 2.939135 4.435411 4.199767 2.878888 2.849941 5.081090 4.526757 4.777138 4.772476 5.445611 5.318496 3.249798 1.078706 5.838393 5.222656 3.208454 6.673166 7.189154 2.515928 5.089019 4.775662 4.521121 5.028601 6.132407 4.825084 5.182546 4.748100 5.794106 3.945356 5.645527 6.035183 4.760738 5.597260 4.223509 0.000000 4.294384 3.275989 4.498497 7.319076 5.504344 7.601515 8.796357 5.413649 5.691832 4.743779 4.487617 6.734858 6.998701 3.290341 4.083754 5.483179 2.259405 6.631923 8.965712 7.551817 1.079080 2.179289 9.586607 6.834064 7.036862 6.379111 4.945527 6.004591 5.338040 5.056022 7.439179 7.786192 7.022019 3.356265 4.031022 5.786316 5.661000 2.746288 6.741841 7.556522 9.446142 6.707909 0.000000 5.042622 2.078131 3.885454 6.356412 5.053413 6.654177 7.646068 5.449665 6.355080 4.487162 4.530359 5.907868 7.517768 3.198888 4.928233 5.949086 3.303959 7.316332 8.013861 6.450816 2.242906 1.078138 8.517195 8.021359 8.508278 6.233481 5.934935 6.879844 4.654462 5.288966 8.269272 8.089832 7.335162 3.947659 5.445556 5.737757 6.186584 4.335683 7.351971 8.021648 8.589393 5.554140 2.744184 0.000000 7.460788 8.062518 6.417255 5.015550 5.577068 3.246765 2.158229 5.691086 6.597241 6.949172 6.470772 4.588477 6.258003 7.933254 8.417215 8.132471 8.979556 8.006456 2.197921 3.176887 9.714407 9.165929 1.079059 9.300099 9.569316 4.769961 7.571529 6.864805 6.999657 7.417263 7.142990 5.385739 6.294353 8.688578 9.311165 7.362666 9.079091 9.329706 7.163589 7.985916 2.760672 4.195624 10.651904 9.566050 0.000000 4.380137 8.235196 5.962381 10.039717 7.844616 8.688205 8.576599 6.483418 6.445640 8.419555 5.506885 8.864619 7.712878 7.839815 3.560985 2.894082 7.231979 2.205913 9.605371 8.053490 7.263631 7.884526 9.508162 1.090182 2.092119 6.510478 6.586901 5.563379 9.439302 8.564041 7.894142 7.824036 8.607949 4.415623 3.163540 3.855643 2.697043 7.032532 3.090510 2.525277 10.341035 7.425238 7.106167 8.347694 10.191297 0.000000 4.702150 8.695204 6.803924 10.049921 7.892821 8.973588 9.282611 6.485238 5.874267 8.321447 5.957991 8.964258 6.908150 7.936776 4.492194 4.462507 7.205132 3.505962 9.792484 8.685528 7.601233 8.485310 9.933605 2.115273 1.085778 6.610709 5.905831 4.880310 9.404942 8.151103 6.755623 7.132052 7.880815 5.481768 3.789452 5.444587 4.680558 6.663224 3.730520 4.140155 10.318333 8.242766 7.468028 9.187678 10.612837 2.433244 0.000000 3.513710 7.600825 5.578133 8.378260 6.315135 7.250173 7.642361 4.870891 4.238653 6.904751 4.606054 7.291493 5.194649 6.765084 3.818442 3.856601 6.278081 2.781523 8.002518 7.055872 6.912114 7.655552 8.188990 2.114279 1.087197 4.892929 4.487363 3.181877 7.971471 6.736493 5.132147 5.323952 6.205887 4.890484 3.453644 4.630137 4.490123 5.782044 2.460205 3.564963 8.495702 6.736606 7.040975 8.434438 8.869028 3.072454 1.851169 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2594177 0.1783544 0.1359350 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= 1.87D-06 NBF= 1182 NBsUse= 1181 1.00D-06 EigRej= 5.34D-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= 1313 1313 1313 1313 1313 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29539479473 -1165.36794491565 -0.072550120918 -1165.36795889564 -0.000013979990 -1165.36826697326 -0.000308077618 -1165.36831133091 -0.000044357648 -1165.36831681715 -0.000005486243 -1165.36831714908 -0.000000331931 -1165.36831718533 -0.000000036250 -1165.36831718786 -0.000000002535 -1165.36831718799 -0.000000000126 -1165.36831718822 -0.000000000229 -1165.36831719 11 1.160079727905e+03 -7.389689326195e+03 2.727698398642e+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. PT54871.900S Wed Jan 12 18:11:59 2022 GINC-DEPAZ22 PAULAPLA 12-Jan-2022 0 Single Point pefurazoate CONF539 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.3683172 RMSD=3.668e-09 Dipole=-1.4052043,-1.9173352,2.5038391 Quadrupole=-1.1389456,3.8130883,-2.6741427,5.5331926,4.822347,9.5800951 PG=C01 [X(C18H23N3O4)] 0 -0.2955312498 -1.7955071518 0.8556975838 0 -2.7411744132 0.3551159207 -1.7637919965 0 -0.0868663192 -0.9764790034 -1.2310228361 0 -0.1543110917 3.7856789944 -0.8623371225 0 -0.414754108 1.6310500826 -0.1353814642 0 1.6730260439 2.4138265217 -0.9427108718 0 3.4934648368 1.5356982051 -1.8600685703 0 0.1821386542 0.5308820082 0.6452770958 0 -0.1641142512 0.6150909128 2.1414966548 0 -1.8827596698 1.8247444625 -0.0237481232 0 -0.1076930763 -0.8189688502 -0.0284199081 0 0.2975853763 2.6713333357 -0.6384139733 0 0.2527346381 1.952317705 2.7548584086 0 -2.6475827253 0.6150409132 -0.4199222672 0 -0.4718463284 -3.1540562386 0.3444228034 0 0.8658950823 -3.8003934139 0.0190870573 0 -3.2853507263 -0.3627516056 0.2803539664 0 1.8538898301 -3.8066610512 1.2017279897 0 2.690015962 3.3432295549 -0.7692200971 0 2.218999625 1.3461329259 -1.623635211 0 -3.7959024841 -1.2937895686 -0.6838991363 0 -3.432641879 -0.8139080028 -1.9020223728 0 3.8000138303 2.7765616451 -1.3214562872 0 1.3636164552 -4.6104224611 2.3721318565 0 1.0626440963 -4.11431947 3.5716305684 0 1.2663468721 0.6280854412 0.5708368492 0 -1.2292031137 0.4315852484 2.2979154802 0 0.365489801 -0.2000562522 2.6380754216 0 -2.1461969938 2.6593589807 -0.6701960674 0 -2.147652389 2.1006922763 0.9981080924 0 0.0535901081 1.9544486406 3.8297675559 0 1.3228059175 2.1347908226 2.6121122264 0 -0.290855399 2.7939012697 2.3164199626 0 -1.1254390336 -3.1181899367 -0.5274468145 0 -0.9818887926 -3.6668283354 1.1591596111 0 1.3202458153 -3.2852489012 -0.8311967755 0 0.6568872239 -4.8272253994 -0.3027991509 0 -3.3653231785 -0.4216205447 1.3545277545 0 2.0575316539 -2.7774715636 1.5132738226 0 2.801852491 -4.2272674373 0.8463848977 0 2.5156418482 4.2831562151 -0.27361826 0 1.6230853618 0.4958849673 -1.9161603281 0 -4.3528948916 -2.1979624949 -0.4924727883 0 -3.5848919288 -1.1571162978 -2.9126705225 0 4.7991879589 3.1815755899 -1.3659768509 0 1.2317499513 -5.6773928961 2.1913521595 0 0.7028306732 -4.7476129213 4.3768562466 0 1.1693572424 -3.0547905091 3.7907390042