Gaussian 16 GINC-ESTREMERA PAULAPLA Optimization pefurazoate CONF23 gas EM64L-G16RevC.01 22-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 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-3045883/Gau-13178.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3045883/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF23/opt-b3lyp #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization pefurazoate CONF23 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 1.3246 1.4306 1.3486 1.3451 1.1977 1.2056 1.4594 1.4643 1.3536 1.4195 1.3771 1.3649 1.2973 1.3661 1.5279 1.5315 1.0962 1.5209 1.0894 1.0901 1.4856 1.0913 1.0861 1.0894 1.0923 1.0904 1.3547 1.5154 1.0913 1.0914 1.5295 1.0942 1.0937 1.4258 1.0785 1.4951 1.0898 1.0953 1.3604 1.0768 1.0804 1.353 1.077 1.0775 1.0782 1.3274 1.0874 1.0816 1.0838 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 120.9852 107.5355 117.651 116.0511 123.3654 129.1916 123.9763 106.6827 105.7712 113.3284 113.2621 105.551 112.0674 107.1208 104.6981 112.4675 110.205 107.4999 110.5358 109.7007 106.1926 114.1766 107.3563 110.0877 110.6048 108.2441 106.0742 125.6493 111.0617 123.1063 124.1562 119.7141 116.1297 110.5311 111.782 112.0788 107.2611 107.1917 107.7559 117.872 110.0408 132.0191 109.44 110.683 106.1478 111.5608 110.4244 108.4419 113.629 107.8647 108.8384 109.613 110.5594 106.0234 106.1309 126.3582 127.5108 112.1557 110.6331 108.5455 109.2553 109.6027 106.4826 105.1382 122.6263 132.1442 111.691 121.9091 126.3946 105.8942 127.528 126.573 110.3944 116.6616 132.9252 110.6957 121.6556 127.6436 124.4444 116.5459 119.006 121.7825 121.384 116.8335 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1.0817 176.2734 122.0253 -1.3278 -118.801 176.6745 -0.6831 0.4978 179.1219 125.6566 -105.2388 8.7339 -73.0429 56.0617 170.0344 78.6973 -44.291 -159.3265 -81.1286 155.8831 40.8477 -0.0458 179.9474 160.0753 -19.9315 125.5955 -54.3981 -49.3523 130.6541 -176.4002 0.5113 -0.7725 176.139 177.3629 -3.4239 1.4488 -179.338 -1.4727 179.357 0.9556 -178.2829 -54.8579 68.9696 -175.7143 175.4304 -60.7421 54.5739 61.1404 -175.032 -59.716 29.2796 -155.3846 159.0257 -25.6385 -85.2054 90.1304 -176.764 -57.3663 63.7308 59.5924 178.9901 -59.9127 -57.1792 62.2185 -176.6843 -86.2454 90.4125 34.9612 -148.3809 150.7717 -32.5705 0.5936 -179.533 -176.2618 3.6116 -75.3832 162.8845 48.2775 47.4496 -74.2827 171.1103 168.1203 46.388 -68.2191 171.7003 49.4381 -67.0554 -67.545 170.1927 53.6993 48.9817 -73.2806 170.226 -0.2788 -179.512 179.8497 0.6165 -122.237 57.05 0.8055 -179.9075 117.1286 -63.5844 -0.0893 179.092 -176.5807 2.6007 -0.1327 -178.4535 179.1101 0.7894 179.3997 -0.6762 0.129 -179.9469 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2418.1356809298 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= 1.95D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Berny optimization. local minimum Step number 24 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00091 0.00266 0.00330 0.00430 0.00472 0.00559 0.00681 0.01005 0.01141 0.01283 0.01523 0.01661 0.01717 0.01882 0.02055 0.02201 0.02298 0.02326 0.02399 0.02475 0.02513 0.02645 0.02741 0.03050 0.03137 0.03214 0.03512 0.03652 0.04098 0.04447 0.04776 0.04866 0.04949 0.05037 0.05223 0.05341 0.05500 0.05519 0.05622 0.05631 0.05695 0.06020 0.06624 0.07118 0.08362 0.08429 0.09354 0.09724 0.10285 0.10624 0.11480 0.12235 0.12338 0.12893 0.13694 0.14821 0.15421 0.15918 0.15970 0.15976 0.15993 0.15999 0.16000 0.16001 0.16003 0.16008 0.16033 0.16058 0.19912 0.20686 0.21705 0.21941 0.21978 0.22203 0.22791 0.23132 0.23365 0.23605 0.23702 0.23926 0.24226 0.24714 0.25802 0.26399 0.27056 0.28883 0.29383 0.29703 0.30350 0.30835 0.31485 0.33054 0.33572 0.34118 0.34144 0.34199 0.34336 0.34439 0.34561 0.34641 0.34673 0.34705 0.34789 0.34884 0.34909 0.34921 0.34990 0.35123 0.35537 0.35798 0.35852 0.36026 0.36174 0.36265 0.36317 0.36356 0.36477 0.36908 0.39200 0.39745 0.41763 0.44700 0.46768 0.46860 0.47020 0.48409 0.49454 0.51489 0.52782 0.54315 0.55279 0.58156 0.60232 0.60969 0.65174 1.01667 1.05606 1.24836 -1.93397570e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.52782 2.74543 2.58590 2.57685 2.27729 2.29456 2.78958 2.80371 2.57471 2.71565 2.62504 2.60177 2.47435 2.60821 2.90038 2.91064 2.06879 2.89031 2.06183 2.06286 2.81178 2.06201 2.05112 2.06434 2.06987 2.06652 2.57093 2.87183 2.06168 2.06276 2.90772 2.07161 2.06950 2.70920 2.03904 2.83863 2.06252 2.07497 2.58505 2.03481 2.03952 2.56883 2.03784 2.03524 2.03871 2.51768 2.05998 2.04944 2.05220 2.09381 1.86866 2.04757 2.03366 2.15064 2.25995 2.16075 1.86153 1.84541 1.97129 1.98236 1.84038 1.95459 1.88783 1.81385 1.96232 1.90024 1.86986 1.93478 1.93070 1.86204 1.98756 1.86950 1.91070 1.92221 1.89742 1.87312 2.19253 1.94041 2.14759 2.17284 2.08734 2.02293 1.93096 1.94488 1.94560 1.87847 1.87792 1.88314 2.04278 1.92009 2.31799 1.88700 1.90682 1.84106 1.96273 1.94759 1.91409 1.96489 1.89306 1.88860 1.92555 1.92542 1.86298 1.85661 2.19780 2.22868 1.96532 1.91400 1.89124 1.90960 1.91399 1.86706 1.83771 2.12916 2.31514 1.94811 2.12050 2.21456 1.85401 2.22389 2.20523 1.92536 2.02523 2.33232 1.93169 2.12108 2.23029 2.17239 2.03022 2.08051 2.12396 2.11358 2.04563 0.02363 3.08858 2.15735 0.01614 -2.04024 3.06941 -0.00835 0.00634 3.12621 2.22302 -1.80979 0.16495 -1.24583 1.00455 2.97929 1.35676 -0.77287 -2.79852 -1.43384 2.71970 0.69405 0.00492 -3.12373 2.79811 -0.33055 2.18479 -0.96907 -0.90348 2.22585 -3.10760 -0.01187 -0.01225 3.08347 3.12203 -0.02323 0.02338 -3.12187 -0.02400 3.12149 0.01583 -3.11009 -1.03683 1.11416 3.12168 2.98175 -1.15045 0.85707 0.99325 -3.13895 -1.13143 0.46325 -2.75266 2.72210 -0.49381 -1.52741 1.53987 -3.13089 -1.04171 1.06332 1.02076 3.10994 -1.06822 -1.04121 1.04797 -3.13019 -1.49594 1.56386 0.60434 -2.61905 2.65203 -0.57136 0.00704 3.13458 -3.05702 0.07051 -1.25458 2.89275 0.87798 0.85213 -1.28372 2.98470 3.01157 0.87572 -1.13904 2.96828 0.83760 -1.19465 -1.19746 2.95504 0.92279 0.85664 -1.27404 2.97690 -0.00304 -3.13423 -3.13024 0.02175 -2.14468 0.98450 -0.01151 3.11767 2.03124 -1.12276 -0.00183 3.12285 -3.09053 0.03416 -0.00205 -3.11668 3.12928 0.01466 3.13475 -0.01314 0.00590 3.14119 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 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 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00008 0.00013 -0.00011 -0.00007 0.00006 0.00006 0.00008 0.00005 0.00004 0.00006 0.00013 0.00015 0.00015 0.00015 0.00016 0.00017 -0.00002 -0.00002 -0.00004 -0.00004 -0.00002 -0.00002 0.00001 0.00001 0.00002 0.00004 -0.00000 0.00001 -0.00005 -0.00002 -0.00002 0.00000 0.00004 0.00001 -0.00005 -0.00002 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00002 -0.00002 -0.00003 -0.00003 -0.00005 -0.00005 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 -0.00008 -0.00015 -0.00010 -0.00016 -0.00009 -0.00016 -0.00011 -0.00004 -0.00005 0.00002 0.00001 0.00002 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00003 -0.00004 -0.00004 -0.00002 -0.00002 -0.00003 0.00004 0.00003 -0.00003 -0.00004 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00003 0.00000 0.00001 -0.00002 0.00004 -0.00001 0.00005 0.00001 0.00002 -0.00001 0.00000 -0.00003 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 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 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00008 0.00013 -0.00011 -0.00007 0.00006 0.00006 0.00008 0.00005 0.00004 0.00006 0.00013 0.00015 0.00015 0.00015 0.00016 0.00017 -0.00002 -0.00002 -0.00004 -0.00004 -0.00002 -0.00002 0.00001 0.00001 0.00002 0.00004 -0.00000 0.00001 -0.00005 -0.00002 -0.00002 0.00000 0.00004 0.00001 -0.00005 -0.00002 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00002 -0.00002 -0.00003 -0.00003 -0.00005 -0.00005 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00005 0.00005 0.00005 -0.00008 -0.00015 -0.00010 -0.00016 -0.00009 -0.00016 -0.00011 -0.00004 -0.00005 0.00002 0.00001 0.00002 0.00001 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00002 -0.00002 -0.00002 -0.00003 -0.00004 -0.00004 -0.00002 -0.00002 -0.00003 0.00004 0.00003 -0.00003 -0.00004 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00003 0.00000 0.00001 -0.00002 0.00004 -0.00001 0.00005 0.00001 0.00002 -0.00001 0.00000 -0.00003 2.52782 2.74542 2.58591 2.57684 2.27729 2.29456 2.78957 2.80372 2.57471 2.71565 2.62504 2.60176 2.47435 2.60821 2.90038 2.91063 2.06879 2.89031 2.06183 2.06286 2.81177 2.06200 2.05112 2.06434 2.06987 2.06652 2.57093 2.87183 2.06167 2.06276 2.90772 2.07160 2.06950 2.70919 2.03904 2.83863 2.06252 2.07497 2.58505 2.03481 2.03952 2.56883 2.03784 2.03524 2.03871 2.51768 2.05998 2.04944 2.05220 2.09381 1.86866 2.04758 2.03365 2.15063 2.25994 2.16076 1.86153 1.84541 1.97129 1.98236 1.84040 1.95459 1.88782 1.81386 1.96231 1.90025 1.86985 1.93477 1.93071 1.86205 1.98756 1.86949 1.91070 1.92220 1.89743 1.87312 2.19253 1.94041 2.14759 2.17284 2.08734 2.02293 1.93096 1.94488 1.94560 1.87847 1.87793 1.88313 2.04277 1.92009 2.31799 1.88699 1.90682 1.84107 1.96273 1.94759 1.91409 1.96488 1.89305 1.88861 1.92555 1.92542 1.86299 1.85662 2.19779 2.22868 1.96532 1.91400 1.89123 1.90960 1.91398 1.86706 1.83772 2.12916 2.31514 1.94811 2.12050 2.21456 1.85401 2.22389 2.20523 1.92536 2.02523 2.33232 1.93169 2.12108 2.23030 2.17239 2.03022 2.08051 2.12396 2.11357 2.04563 0.02364 3.08859 2.15734 0.01614 -2.04025 3.06949 -0.00821 0.00623 3.12614 2.22308 -1.80973 0.16503 -1.24579 1.00459 2.97935 1.35690 -0.77273 -2.79837 -1.43369 2.71986 0.69422 0.00490 -3.12376 2.79807 -0.33059 2.18477 -0.96908 -0.90348 2.22586 -3.10758 -0.01184 -0.01225 3.08349 3.12198 -0.02325 0.02336 -3.12187 -0.02396 3.12151 0.01578 -3.11011 -1.03683 1.11415 3.12168 2.98175 -1.15046 0.85708 0.99325 -3.13896 -1.13143 0.46323 -2.75269 2.72207 -0.49384 -1.52745 1.53982 -3.13084 -1.04165 1.06337 1.02082 3.11000 -1.06816 -1.04117 1.04802 -3.13014 -1.49602 1.56371 0.60424 -2.61922 2.65194 -0.57152 0.00693 3.13454 -3.05707 0.07054 -1.25457 2.89277 0.87800 0.85213 -1.28371 2.98470 3.01157 0.87573 -1.13904 2.96827 0.83758 -1.19467 -1.19750 2.95500 0.92275 0.85662 -1.27407 2.97687 -0.00299 -3.13420 -3.13027 0.02171 -2.14469 0.98450 -0.01152 3.11768 2.03124 -1.12275 -0.00180 3.12286 -3.09052 0.03415 -0.00201 -3.11669 3.12934 0.01466 3.13477 -0.01316 0.00591 3.14116 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000001 0.000707 0.000133 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.617025e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3377 1.4528 1.3684 1.3636 1.2051 1.2142 1.4762 1.4837 1.3625 1.4371 1.3891 1.3768 1.3094 1.3802 1.5348 1.5402 1.0948 1.5295 1.0911 1.0916 1.4879 1.0912 1.0854 1.0924 1.0953 1.0936 1.3605 1.5197 1.091 1.0916 1.5387 1.0962 1.0951 1.4336 1.079 1.5021 1.0914 1.098 1.3679 1.0768 1.0793 1.3594 1.0784 1.077 1.0788 1.3323 1.0901 1.0845 1.086 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 48 119.9668 107.0664 117.3169 116.5202 123.2225 129.4854 123.802 106.6581 105.734 112.9467 113.5809 105.4462 111.99 108.165 103.926 112.4324 108.8759 107.1349 110.8548 110.621 106.6872 113.8791 107.1144 109.475 110.1345 108.7142 107.322 125.6226 111.1773 123.0479 124.4948 119.5956 115.9055 110.6358 111.4333 111.4748 107.6282 107.5971 107.8957 117.0425 110.0133 132.8109 108.1169 109.2527 105.4849 112.4561 111.5889 109.6693 112.5798 108.4644 108.209 110.3256 110.3184 106.7411 106.3761 125.9246 127.6938 112.6048 109.6639 108.3598 109.412 109.6634 106.9745 105.2932 121.992 132.6477 111.6185 121.4959 126.8852 106.2269 127.4197 126.3505 110.3152 116.0369 133.6322 110.6779 121.5287 127.7864 124.4688 116.323 119.2045 121.694 121.0991 117.206 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1.3539 176.9627 123.6071 0.9247 -116.897 175.8643 -0.4782 0.3633 179.1188 127.3695 -103.6931 9.4511 -71.3809 57.5564 170.7006 77.7369 -44.2825 -160.3436 -82.1532 155.8274 39.7663 0.2821 -178.9768 160.3198 -18.9392 125.1791 -55.5234 -51.7658 127.5317 -178.0522 -0.6804 -0.7017 176.67 178.8789 -1.3308 1.3397 -178.87 -1.3751 178.8484 0.907 -178.1951 -59.4058 63.8367 178.8592 170.8416 -65.9159 49.1066 56.909 -179.8485 -64.826 26.5422 -157.716 155.9651 -28.2931 -87.5139 88.2279 -179.3867 -59.6853 60.9238 58.4852 178.1866 -61.2043 -59.6572 60.0442 -179.3467 -85.7109 89.6023 34.6261 -150.0606 151.9502 -32.7366 0.4034 179.5981 -175.1545 4.0402 -71.8822 165.7426 50.3048 48.8235 -73.5517 171.0105 172.5505 50.1753 -65.2625 170.0701 47.9908 -68.4484 -68.6095 169.3112 52.872 49.0821 -72.9972 170.5636 -0.1739 -179.5781 -179.3498 1.2461 -122.8811 56.4078 -0.6595 178.6294 116.3818 -64.3294 -0.1051 178.9264 -177.0743 1.9573 -0.1176 -178.5727 179.2948 0.8397 179.6081 -0.753 0.3383 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0611884565 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2.964699 0.000000 2.244592 4.554220 0.000000 2.957860 4.969367 3.497897 0.000000 2.666620 3.220616 3.588681 2.262394 0.000000 3.983984 4.710306 5.297706 2.272673 2.353649 0.000000 5.643064 6.117602 7.243686 4.117068 4.475963 2.203426 0.000000 2.357542 3.398953 2.404867 2.689809 1.459436 3.680773 5.827966 0.000000 3.669568 4.854576 2.840010 3.079071 2.496080 4.368712 6.565682 1.527881 0.000000 3.317322 2.428734 4.635492 3.581523 1.464306 2.817910 4.544131 2.501539 3.647199 0.000000 1.324610 3.562516 1.197660 2.790025 2.498150 4.264299 6.219293 1.531461 2.537317 3.485668 0.000000 2.929266 4.188373 3.922755 1.205636 1.353629 1.419479 3.554050 2.386937 3.085785 2.481280 2.935449 0.000000 4.875654 5.360360 4.320337 3.990859 2.970377 4.656375 6.786712 2.534486 1.520894 3.750606 3.895223 3.684173 0.000000 2.980904 1.348580 4.790399 4.210029 2.476472 3.497606 4.815779 3.222392 4.647388 1.485567 3.635182 3.252505 5.036142 0.000000 1.430611 3.784288 2.770809 3.933379 4.070007 5.044287 6.385269 3.723532 4.911483 4.630863 2.398415 4.127561 6.221405 3.995883 0.000000 2.405462 4.678055 3.880426 3.903313 4.593660 4.829706 5.726050 4.621668 5.747060 5.184147 3.449780 4.218832 7.019268 4.536202 1.515422 0.000000 3.476191 2.214952 5.590829 4.658566 3.430650 3.650208 4.360368 4.320439 5.761187 2.595449 4.452835 3.773896 6.229870 1.354699 4.137266 4.287092 0.000000 3.100516 5.793386 3.923019 3.445806 4.855379 4.807706 5.699155 4.847721 5.638317 5.774890 3.711955 4.155738 6.961723 5.475075 2.548284 1.529461 5.344302 0.000000 5.174055 5.331374 6.403232 3.445720 3.071464 1.377096 2.242868 4.470206 4.974832 3.138719 5.354773 2.526222 4.837038 4.045867 6.318483 6.166781 4.238658 6.180555 0.000000 4.425300 5.307585 5.983284 2.925957 3.502871 1.364939 1.297330 4.743853 5.537528 3.838560 4.989899 2.458358 5.975922 4.089834 5.171374 4.565937 3.779301 4.505933 2.199691 0.000000 3.733546 2.215417 5.846069 5.630054 4.468327 4.968700 5.615018 5.027337 6.545092 3.694254 4.844791 4.904752 7.157647 2.222961 3.989866 4.259794 1.425843 5.592764 5.653786 4.990982 0.000000 3.425948 1.345053 5.237927 5.743387 4.316120 5.436679 6.501248 4.524107 6.026587 3.567460 4.335393 5.054696 6.655617 2.172760 3.765075 4.501329 2.218155 5.845683 6.139693 5.738660 1.352980 0.000000 6.024688 6.132814 7.464376 4.346428 4.267114 2.173854 1.366066 5.690058 6.276894 4.191258 6.404607 3.568216 6.193781 4.790161 6.997348 6.589144 4.610460 6.596570 1.360427 2.124284 5.992534 6.728154 0.000000 4.355896 6.777213 5.356713 4.096199 5.720147 5.041318 5.359746 5.995670 6.750136 6.560502 5.048564 4.773458 7.956094 6.256448 3.865670 2.509837 5.871885 1.495092 6.337576 4.362133 6.204713 6.732517 6.459435 0.000000 5.005112 7.316463 5.952670 3.907040 5.770572 4.639487 4.695980 6.240556 6.833237 6.663878 5.560721 4.609849 7.888720 6.583940 4.837963 3.581409 6.211209 2.498433 5.813578 3.844716 6.797114 7.417579 5.803775 1.327375 0.000000 2.767185 2.877851 2.864565 3.741402 2.046822 4.396105 6.478069 1.096218 2.126558 2.451283 2.097376 3.261333 2.750495 3.034195 4.066231 5.165299 4.294728 5.633341 5.029929 5.472817 4.841841 4.102226 6.252108 6.833910 7.175733 0.000000 3.867773 5.542764 2.966484 2.548129 2.831712 4.188572 6.305985 2.161263 1.089430 4.193863 2.790918 2.918658 2.159268 5.182101 4.996470 5.604267 6.139015 5.213215 4.884381 5.254090 6.990128 6.626746 6.113118 6.216581 6.174760 3.039060 0.000000 3.985168 5.231808 2.580336 3.911432 3.402675 5.389804 7.582226 2.127087 1.090128 4.448678 2.700857 4.051488 2.149261 5.282456 5.060917 6.072248 6.432966 5.982941 6.050404 6.503398 7.039976 6.355552 7.345618 7.223044 7.439350 2.413577 1.742875 0.000000 3.911279 2.592108 4.860706 4.329192 2.070884 3.763966 5.526567 2.629699 3.566879 1.091308 3.825617 3.306875 3.387132 2.130478 5.248226 6.012416 3.393497 6.623276 3.884247 4.878842 4.292621 3.879619 5.010605 7.519349 7.656733 2.193019 4.333171 4.244023 0.000000 4.187581 3.265534 5.574556 3.892261 2.101506 2.476131 3.896055 3.391559 4.332952 1.086120 4.418305 2.690659 4.196529 2.096861 5.451642 5.779280 2.791626 6.286081 2.367042 3.468812 4.093084 4.246476 3.331839 6.864533 6.790488 3.460018 4.748980 5.246605 1.739823 0.000000 5.774213 6.423890 4.905081 4.665553 3.991644 5.485729 7.567889 3.477775 2.159172 4.827901 4.688260 4.537446 1.089381 6.123762 7.060547 7.845411 7.306163 7.641771 5.603300 6.786647 8.235554 7.715173 6.936305 8.621081 8.490347 3.724135 2.499955 2.472655 4.446981 5.211503 0.000000 5.109644 5.039615 4.656445 4.759616 3.277875 5.193630 7.295246 2.788974 2.176952 3.675058 4.193116 4.278963 1.092289 4.890187 6.462794 7.405648 6.179941 7.549862 5.290778 6.526017 7.010305 6.371892 6.643724 8.612868 8.644336 2.556570 3.076930 2.524441 3.016523 4.189153 1.756704 0.000000 5.049394 5.404875 4.899513 3.728862 2.710001 3.947705 5.970832 2.841680 2.179189 3.399860 4.276584 3.243666 1.090418 4.822478 6.442601 7.054021 5.912618 6.973701 3.913630 5.297407 7.002274 6.686052 5.258363 7.803399 7.592744 3.187157 2.525445 3.070332 3.179893 3.578285 1.754413 1.763111 0.000000 2.083389 4.569094 2.359565 4.324414 4.657553 5.796926 7.252711 4.007268 4.954888 5.387896 2.500748 4.726953 6.379452 4.903180 1.091327 2.168645 5.181772 2.732852 7.086351 5.995961 5.008546 4.625576 7.841238 4.177319 5.200602 4.362779 4.985908 4.895656 5.892885 6.269130 7.104540 6.654439 6.747527 0.000000 2.026367 3.395741 3.476540 4.822170 4.550843 5.622647 6.860814 4.238363 5.553451 4.798162 3.061521 4.812100 6.765592 3.879650 1.091359 2.154502 3.929295 3.480071 6.812156 5.732084 3.424774 3.069828 7.451239 4.659155 5.684389 4.322232 5.802486 5.657272 5.336715 5.645558 7.663289 6.846921 7.002319 1.770765 0.000000 3.317505 5.298563 4.672519 4.985650 5.633206 5.829312 6.514688 5.619857 6.763936 6.112329 4.373261 5.296661 8.059881 5.295288 2.123923 1.094173 4.892993 2.158687 7.144856 5.437263 4.589715 4.868511 7.467169 2.818488 4.057850 6.074211 6.642162 7.011742 6.920603 6.706369 8.885695 8.402886 8.125493 2.571795 2.375444 0.000000 2.555457 4.291809 4.454719 3.784616 4.273553 4.180191 4.845688 4.631718 5.868754 4.658958 3.752901 3.846589 6.980431 3.925209 2.136121 1.093689 3.445115 2.170317 5.454138 3.774105 3.551983 4.071407 5.748670 2.691132 3.511822 5.149303 5.770976 6.354802 5.586484 5.109739 7.878242 7.336137 6.865648 3.054298 2.528189 1.747573 0.000000 4.081367 3.254721 6.205810 4.650242 3.732358 3.238468 3.461669 4.855065 6.192260 2.998350 5.050848 3.751998 6.590086 2.175023 4.719872 4.552452 1.078513 5.435678 3.714262 3.096650 2.251438 3.266391 3.809281 5.700971 5.852183 5.000197 6.431880 6.978918 3.921846 2.829244 7.636186 6.654982 6.114176 5.784345 4.657690 5.168352 3.565718 0.000000 2.779404 5.571827 3.356494 2.450217 4.086896 4.114017 5.292633 4.064725 4.699641 5.183680 3.097305 3.313514 5.997121 5.152670 2.735155 2.168317 5.230935 1.089793 5.472351 4.040734 5.704647 5.873268 6.031567 2.120752 2.606126 4.966335 4.188871 5.112815 5.995596 5.683469 6.633260 6.660568 5.994671 2.898745 3.783550 3.062029 2.601289 5.315205 0.000000 3.623043 6.438514 3.918292 4.174081 5.597767 5.789009 6.770463 5.337620 5.991844 6.586975 4.034124 4.997540 7.412956 6.290271 2.838716 2.145860 6.248873 1.095347 7.161432 5.568073 6.363588 6.468242 7.640424 2.129303 3.181619 6.089965 5.541969 6.157596 7.348023 7.189140 8.008639 8.004456 7.557285 2.599344 3.749708 2.431866 3.056032 6.436200 1.750656 0.000000 5.519074 5.457724 6.497705 3.812743 3.061781 2.157546 3.300102 4.352365 4.644992 3.075156 5.486775 2.861217 4.199806 4.265774 6.791150 6.842939 4.732462 6.864837 1.076835 3.227758 6.134054 6.433852 2.230763 7.171482 6.681658 4.807548 4.665420 5.719754 3.541516 2.292895 4.909755 4.592668 3.189175 7.490869 7.269343 7.859817 6.209657 4.376908 6.067812 7.782899 0.000000 4.060112 5.371877 5.668585 2.873191 3.831633 2.142260 2.124532 4.861118 5.733303 4.308729 4.766721 2.742343 6.418309 4.305118 4.542879 3.708834 3.870224 3.583451 3.230460 1.080401 4.861673 5.634563 3.178938 3.318472 2.896874 5.637349 5.386209 6.599007 5.380169 4.166760 7.227046 6.994268 5.880878 5.346147 5.152165 4.518478 2.946954 3.286293 3.281749 4.661717 4.211688 0.000000 4.501629 3.253757 6.646744 6.393593 5.448830 5.686785 6.003916 6.023979 7.543520 4.717645 5.705791 5.741203 8.203419 3.269459 4.476159 4.511072 2.250320 5.904219 6.378900 5.480502 1.077032 2.174187 6.531759 6.350219 6.999390 5.883206 7.929697 8.028062 5.351020 5.019848 9.277407 8.082041 8.026115 5.490077 3.823048 4.611828 3.769615 2.738649 6.187759 6.656747 6.957455 5.242020 0.000000 3.965504 2.066596 5.511744 6.557003 5.150562 6.451480 7.562217 5.116212 6.569145 4.470516 4.784745 5.956466 7.247314 3.170432 4.076192 4.972987 3.286813 6.377939 7.180264 6.765739 2.230974 1.077497 7.801442 7.353736 8.160306 4.571343 7.228607 6.738111 4.621989 5.222679 8.271447 6.880539 7.405675 4.776152 3.190541 5.182872 4.718835 4.318613 6.484774 6.860590 7.430010 6.597459 2.729628 0.000000 7.065598 6.942777 8.500037 5.382448 5.203920 3.228514 2.138882 6.634487 7.156891 4.986642 7.432970 4.595781 6.909993 5.598689 8.046229 7.627419 5.381189 7.645715 2.192069 3.148189 6.748190 7.522951 1.078249 7.433483 6.713811 7.134153 7.016140 8.236932 5.701123 4.016612 7.600066 7.312526 5.910245 8.906354 8.458962 8.475710 6.752801 4.531332 7.094715 8.694532 2.742335 4.164878 7.237084 8.596917 0.000000 5.021927 7.285248 6.118371 5.133394 6.607599 5.919552 6.011424 6.878153 7.721987 7.325746 5.842381 5.728874 8.950644 6.843507 4.287186 2.827794 6.304523 2.206974 7.191126 5.119817 6.447142 7.047491 7.200652 1.087355 2.084228 7.641880 7.239744 8.151271 8.295934 7.631541 9.645486 9.558112 8.811547 4.591678 4.909994 2.710939 3.015275 6.129514 3.079585 2.575551 8.071530 4.042240 6.416810 7.592337 8.135073 0.000000 6.012194 8.169725 7.033699 4.837403 6.668342 5.271428 4.889977 7.244344 7.830758 7.477803 6.618967 5.460742 8.816771 7.370862 5.807108 4.459468 6.865457 3.486419 6.317239 4.288854 7.453756 8.199230 6.087666 2.108133 1.081628 8.173826 7.150240 8.475246 8.504200 7.494348 9.405881 9.585947 8.445351 6.202535 6.585744 4.788810 4.286766 6.379567 3.685783 4.098802 7.246705 3.395398 7.549225 8.963362 6.890882 2.424530 0.000000 4.791812 7.114854 5.562958 3.105730 5.140793 3.969638 4.281588 5.635481 6.066774 6.153778 5.145247 3.896116 7.041493 6.306799 4.913538 3.896295 6.112179 2.754690 5.105309 3.372984 6.874654 7.410771 5.221920 2.105922 1.083796 6.636832 5.335397 6.733210 7.106608 6.245033 7.585917 7.860328 6.706551 5.257104 5.842874 4.596524 3.805504 5.755779 2.405099 3.471758 5.897570 2.618727 7.228096 8.206833 6.148144 3.061356 1.844682 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2253313 0.2214526 0.1954334 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2.962840 0.000000 2.262608 4.497812 0.000000 2.998562 5.006800 3.606669 0.000000 2.683274 3.228989 3.626648 2.281346 0.000000 4.006924 4.744072 5.382527 2.294134 2.373250 0.000000 5.643241 6.118725 7.330813 4.166602 4.497512 2.222242 0.000000 2.377038 3.383654 2.418479 2.728121 1.476181 3.721488 5.871009 0.000000 3.684322 4.851797 2.863351 3.084936 2.510263 4.403951 6.622512 1.534814 0.000000 3.336062 2.436771 4.661782 3.616333 1.483658 2.834480 4.536727 2.527948 3.686366 0.000000 1.337665 3.525114 1.205090 2.866242 2.524006 4.322388 6.272103 1.540244 2.549189 3.507428 0.000000 2.954697 4.216780 3.997942 1.214231 1.362478 1.437061 3.589275 2.414864 3.095431 2.504528 2.987693 0.000000 4.908969 5.363573 4.327747 4.050261 3.024546 4.760596 6.923346 2.546868 1.529484 3.821315 3.910139 3.751526 0.000000 2.981478 1.368399 4.783239 4.245934 2.490473 3.518597 4.795425 3.232609 4.669531 1.487928 3.631104 3.278674 5.085725 0.000000 1.452819 3.809069 2.779406 3.994455 4.111610 5.094406 6.406912 3.757683 4.934423 4.675410 2.416912 4.179044 6.263630 4.024357 0.000000 2.406924 4.719346 3.902769 3.932649 4.616472 4.859382 5.735881 4.640314 5.745886 5.217569 3.465317 4.246790 7.055531 4.567115 1.519705 0.000000 3.444641 2.235550 5.568656 4.691056 3.449124 3.682034 4.340569 4.327572 5.779553 2.610778 4.434098 3.804641 6.295107 1.360476 4.125225 4.287699 0.000000 3.044720 5.770521 3.919285 3.366197 4.779849 4.749016 5.669472 4.776393 5.536160 5.722010 3.668777 4.080196 6.899115 5.436584 2.544176 1.538701 5.298543 0.000000 5.212052 5.377350 6.501059 3.477803 3.108812 1.389111 2.260452 4.528974 5.036766 3.167102 5.426523 2.556074 4.973714 4.078579 6.382026 6.208754 4.289262 6.133816 0.000000 4.419262 5.309970 6.060888 2.963709 3.514191 1.376797 1.309368 4.775671 5.575009 3.831591 5.034276 2.482365 6.087524 4.072969 5.189334 4.569650 3.760647 4.458474 2.218487 0.000000 3.686729 2.234820 5.781616 5.660121 4.482804 5.006171 5.605625 5.018343 6.545588 3.712253 4.797678 4.934832 7.195868 2.237421 3.950834 4.253163 1.433645 5.559696 5.711185 4.981340 0.000000 3.398494 1.363609 5.158323 5.781021 4.332598 5.478666 6.502313 4.511399 6.023927 3.588883 4.283237 5.088891 6.670348 2.197087 3.749430 4.520123 2.234367 5.825438 6.198672 5.740217 1.359367 0.000000 6.046474 6.155602 7.560930 4.392098 4.298332 2.191647 1.380206 5.744111 6.343903 4.197925 6.470031 3.604424 6.340451 4.793993 7.043598 6.620205 4.629249 6.563713 1.367949 2.144652 6.021599 6.760451 0.000000 4.302991 6.767238 5.356441 3.960814 5.618094 4.927949 5.281347 5.909380 6.620466 6.486874 5.005695 4.654077 7.870748 6.215133 3.874713 2.529991 5.833704 1.502139 6.232642 4.262866 6.201097 6.740918 6.372501 0.000000 4.934196 7.268958 5.947316 3.722531 5.620544 4.471806 4.597774 6.115838 6.661294 6.540890 5.500310 4.439128 7.761367 6.503593 4.844038 3.609321 6.150023 2.509330 5.648841 3.718412 6.777602 7.400373 5.674692 1.332297 0.000000 2.792865 2.855322 2.852908 3.777095 2.058744 4.427263 6.502032 1.094757 2.145179 2.470356 2.093436 3.284005 2.743224 3.040385 4.106526 5.192386 4.297931 5.575514 5.077299 5.489856 4.831058 4.087253 6.288851 6.764786 7.063058 0.000000 3.866475 5.510655 3.062098 2.491585 2.782818 4.146517 6.297428 2.151656 1.091073 4.170630 2.824200 2.854731 2.172080 5.153219 5.014983 5.582595 6.102704 5.093377 4.863017 5.228415 6.948672 6.595176 6.105185 6.048732 5.957142 3.043763 0.000000 3.967502 5.240521 2.526552 3.875181 3.418482 5.408614 7.616246 2.129442 1.091619 4.507688 2.664123 4.040475 2.169557 5.314388 5.034565 6.014552 6.444924 5.819127 6.110215 6.511925 7.028992 6.349886 7.404171 7.037140 7.217759 2.465170 1.751022 0.000000 3.926955 2.580441 4.868725 4.360944 2.084398 3.782293 5.524844 2.647770 3.610204 1.091166 3.834482 3.326310 3.447071 2.126576 5.286426 6.040583 3.404580 6.564537 3.917250 4.876515 4.302212 3.887498 5.023261 7.442150 7.527876 2.205094 4.321374 4.327328 0.000000 4.194342 3.285904 5.603739 3.907499 2.110244 2.472395 3.872601 3.414752 4.370620 1.085406 4.437945 2.696621 4.287611 2.104371 5.485160 5.799369 2.819303 6.217510 2.379416 3.445250 4.126979 4.282258 3.322485 6.766924 6.640040 3.478627 4.710867 5.304112 1.753287 0.000000 5.803787 6.439145 4.926871 4.681125 4.024930 5.548111 7.670783 3.494139 2.170332 4.889795 4.708454 4.565565 1.092403 6.171372 7.097201 7.861690 7.362511 7.550383 5.697823 6.862628 8.271932 7.738526 7.047210 8.493330 8.312998 3.743369 2.509647 2.513709 4.514094 5.284629 0.000000 5.152525 5.080586 4.607791 4.847692 3.388963 5.361893 7.493606 2.814123 2.182528 3.824659 4.188836 4.395381 1.095329 5.001442 6.503685 7.454375 6.307158 7.496513 5.508601 6.691093 7.096605 6.421086 6.866151 8.553050 8.548870 2.561290 3.087239 2.529535 3.165606 4.376913 1.765731 0.000000 5.068346 5.348276 4.925349 3.817812 2.725658 4.059046 6.122473 2.823611 2.181702 3.398938 4.290036 3.316538 1.093556 4.813038 6.484073 7.102635 5.939186 6.941023 4.050593 5.426158 7.003326 6.653852 5.411061 7.749988 7.502189 3.117577 2.539657 3.084570 3.138237 3.608123 1.763950 1.769674 0.000000 2.084758 4.565723 2.331778 4.360539 4.667168 5.828212 7.273062 4.003587 4.937130 5.405608 2.484125 4.751029 6.371094 4.909703 1.090991 2.183205 5.158652 2.745156 7.130449 6.009643 4.962432 4.592313 7.877293 4.202849 5.219215 4.367294 4.985526 4.819598 5.901808 6.278233 7.094226 6.627424 6.748466 0.000000 2.036907 3.415662 3.459269 4.875342 4.582562 5.659716 6.857830 4.262774 5.573663 4.829771 3.061400 4.853869 6.797488 3.896764 1.091565 2.172959 3.901077 3.495629 6.861539 5.729980 3.367336 3.042254 7.476568 4.693774 5.705677 4.354747 5.816148 5.643109 5.362852 5.667561 7.697061 6.880560 7.018730 1.784226 0.000000 3.338729 5.388694 4.684707 5.008003 5.673699 5.866587 6.525417 5.651842 6.766784 6.175050 4.393416 5.331275 8.101373 5.366586 2.136946 1.096246 4.935166 2.177427 7.196979 5.442383 4.635128 4.942443 7.505056 2.859073 4.105650 6.124278 6.619930 6.955579 6.980002 6.754809 8.904137 8.460392 8.179896 2.592120 2.430194 0.000000 2.550885 4.330725 4.483612 3.834316 4.307642 4.224718 4.859684 4.660989 5.886040 4.695234 3.774634 3.892358 7.043333 3.953997 2.132825 1.095133 3.443501 2.176503 5.508723 3.785450 3.541097 4.086187 5.787993 2.709970 3.542539 5.179563 5.756496 6.322430 5.616491 5.135465 7.919959 7.422909 6.935742 3.059911 2.520393 1.758606 0.000000 4.040449 3.274810 6.194556 4.672333 3.749225 3.264965 3.432278 4.865093 6.213344 3.013391 5.036601 3.776534 6.674676 2.176636 4.694606 4.531058 1.079014 5.371647 3.766142 3.065290 2.260822 3.283029 3.829585 5.635590 5.769533 5.006342 6.388584 6.988204 3.938494 2.858507 7.703753 6.809938 6.172269 5.751721 4.616340 5.180763 3.542975 0.000000 2.668546 5.468593 3.337574 2.345808 3.951594 4.030196 5.268545 3.935733 4.556842 5.066134 3.009817 3.195138 5.895208 5.043641 2.700471 2.165430 5.126118 1.091440 5.401240 3.994734 5.607010 5.777492 5.989294 2.130133 2.619850 4.843165 4.042452 4.912585 5.869578 5.557391 6.510742 6.558815 5.927498 2.881325 3.749326 3.069011 2.592424 5.206320 0.000000 3.579634 6.427748 3.899877 4.083962 5.523555 5.730039 6.740991 5.261495 5.872186 6.542419 3.985156 4.919684 7.325572 6.264861 2.841149 2.153511 6.215438 1.098025 7.113074 5.521945 6.342992 6.460973 7.606734 2.138246 3.190443 6.033864 5.414086 5.967450 7.296495 7.127623 7.890724 7.917832 7.505893 2.619342 3.784841 2.445676 3.062968 6.382717 1.759732 0.000000 5.563947 5.515901 6.591746 3.830095 3.102292 2.161940 3.319452 4.414000 4.709910 3.120369 5.558344 2.880082 4.341342 4.315195 6.860149 6.885609 4.800591 6.805395 1.076775 3.243674 6.207618 6.507782 2.242002 7.052449 6.494594 4.863505 4.640434 5.795995 3.595837 2.331708 5.007507 4.829614 3.322125 7.534630 7.328511 7.915370 6.266300 4.447116 5.975979 7.720060 0.000000 4.036066 5.362567 5.731262 2.901528 3.828436 2.147788 2.139076 4.874924 5.748344 4.292716 4.794560 2.753879 6.502734 4.277985 4.543050 3.699095 3.834158 3.541468 3.246087 1.079265 4.833023 5.619782 3.199809 3.231943 2.808437 5.638785 5.348742 6.574218 5.366038 4.136941 7.277730 7.120696 5.987550 5.348455 5.134000 4.506942 2.943422 3.234135 3.254004 4.620995 4.222449 0.000000 4.443508 3.274362 6.570485 6.418157 5.462231 5.724576 5.994311 6.011437 7.538230 4.737076 5.650626 5.769242 8.242019 3.284246 4.413176 4.484822 2.257675 5.872011 6.439167 5.469466 1.078377 2.179114 6.564940 6.358577 7.002278 5.870173 7.882034 8.003941 5.363446 5.056818 9.311764 8.168090 8.034986 5.426380 3.739602 4.636330 3.738099 2.748737 6.097711 6.635922 7.034078 5.210117 0.000000 3.937707 2.075730 5.402545 6.588056 5.158475 6.489666 7.564182 5.089031 6.549083 4.486263 4.715678 5.983832 7.232715 3.191802 4.056785 4.995962 3.303578 6.366929 7.234982 6.767589 2.242379 1.077002 7.832207 7.379518 8.159013 4.542750 7.190770 6.715086 4.622110 5.253860 8.271299 6.886880 7.344781 4.736971 3.166599 5.266955 4.736499 4.336793 6.393226 6.863479 7.497962 6.584503 2.743177 0.000000 7.087577 6.965706 8.597761 5.428973 5.238516 3.247235 2.150848 6.691981 7.232342 4.995260 7.499330 4.633400 7.068730 5.602923 8.091158 7.657323 5.402325 7.614674 2.200833 3.168293 6.779872 7.556433 1.078837 7.349104 6.590100 7.173729 7.015649 8.309218 5.717047 4.014027 7.726329 7.553277 6.071953 8.941803 8.481795 8.512740 6.789997 4.557397 7.056017 8.662097 2.759283 4.186620 7.274349 8.628936 0.000000 4.988955 7.315928 6.122993 5.014114 6.532222 5.818630 5.919329 6.816930 7.612858 7.282006 5.815390 5.630187 8.885826 6.835376 4.304205 2.842067 6.294072 2.212903 7.096602 5.015159 6.478184 7.096803 7.111906 1.090095 2.092985 7.603257 7.088009 7.984803 8.251193 7.561200 9.536013 9.523287 8.775112 4.628024 4.965853 2.750221 3.027464 6.083380 3.088635 2.587376 7.968366 3.943275 6.458979 7.665421 8.046305 0.000000 5.949309 8.137297 7.031623 4.651829 6.519967 5.090647 4.765060 7.123435 7.656272 7.356324 6.564512 5.288453 8.686446 7.299500 5.819641 4.490125 6.817424 3.499352 6.128898 4.145408 7.456077 8.203048 5.930046 2.114104 1.084515 8.065611 6.923142 8.252180 8.376862 7.340848 9.218079 9.494946 8.351752 6.227738 6.617931 4.842136 4.321670 6.306666 3.702179 4.109936 7.035827 3.297876 7.579233 8.986676 6.735708 2.434147 0.000000 4.698841 7.020501 5.545972 2.888519 4.951711 3.780641 4.210830 5.474924 5.862321 5.990775 5.062863 3.690154 6.880784 6.187364 4.906545 3.921068 6.022271 2.760702 4.921838 3.264064 6.820404 7.350164 5.097312 2.109268 1.085978 6.482529 5.088409 6.484145 6.934290 6.058040 7.377128 7.728101 6.587346 5.258074 5.838943 4.637068 3.835646 5.656031 2.414012 3.472415 5.681972 2.569586 7.198918 8.156224 6.033027 3.069353 1.852684 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2276467 0.2185202 0.1958677 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= 712 711 712 712 712 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 2441.4283335046 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 -0.0645057502 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2403.2855047341 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 -0.0614442659 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2398.2554306416 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 -0.0614373785 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2391.4881554372 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 -0.0597489281 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.5417940111 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 -0.0614634371 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2406.8457938854 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 -0.0612631709 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2407.1702854156 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 -0.0613800639 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.3758664241 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 -0.0617465517 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.8840679849 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 -0.0617799731 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.3852805569 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 -0.0618386977 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.2780027905 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 -0.0618229768 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.2187220271 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 -0.0618200693 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.2622626446 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 -0.0618258224 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.2311879882 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 -0.0618226337 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.1245452364 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 -0.0618086355 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.2189575344 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 -0.0618202576 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.0013925482 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 -0.0617930380 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.9717930278 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 -0.0617894429 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.1773078210 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 -0.0618149983 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.9304284451 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 -0.0617851110 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.9562448580 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 -0.0617881865 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2411.1810829386 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 -0.0618155213 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.9585296710 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 -0.0617881562 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 688 RedAO= T EigKep= 2.15D-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= 712 710 712 712 712 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.54106350149 -1164.71966310062 -0.178599599133 -1165.12044523744 -0.400782136817 -1165.21990606743 -0.099460829984 -1165.25571630205 -0.035810234622 -1165.25685008423 -0.001133782185 -1165.25699721855 -0.000147134314 -1165.25701077031 -0.000013551763 -1165.25701204460 -0.000001274292 -1165.25701220771 -0.000000163109 -1165.25701222243 -0.000000014717 -1165.25701222406 -0.000000001633 -1165.25701222423 -0.000000000166 -1165.25701222413 0.000000000091 -1165.25701222434 -0.000000000207 -1165.25701222437 -0.000000000031 -1165.25701222 16 1.161167888411e+03 -7.553335367458e+03 2.808835974349e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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. -1.29302276e+00 -5.12097153e-01 1.08043760e+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 0.001917212 0.001651247 0.011354586 -0.010812831 0.006763949 -0.012812432 -0.001812227 -0.004594249 -0.013006270 0.007670978 -0.008262663 -0.012641042 0.000662836 0.002471451 0.000011733 -0.002164121 0.000540653 -0.001881879 0.009506886 -0.004546692 0.011061085 -0.006162286 0.001339387 -0.003751779 0.000703283 0.000747841 -0.004258145 -0.004234746 0.005345029 0.006905469 -0.001817248 0.006492293 -0.000126066 -0.002318577 0.003541080 0.002240421 0.000012279 0.003943868 0.000165792 0.009195279 0.009488682 0.001459715 -0.002612735 -0.011680613 -0.001043817 -0.000395710 -0.001794966 0.002688268 0.006826866 -0.000858423 0.005364098 0.000807951 0.001554241 -0.002638391 -0.003153996 0.011087090 -0.000511981 0.000486377 -0.015863191 -0.005319752 0.002728639 -0.005032448 0.005417035 -0.009591341 -0.012570577 0.003055698 0.002875539 0.010427740 0.007673876 0.000014090 -0.002102255 -0.000098586 0.003373117 0.002774332 0.001047016 0.000489225 -0.001631216 0.000143603 0.001461944 -0.001405705 0.001142900 -0.000750723 -0.001830631 -0.000587047 -0.001146062 -0.000872476 -0.000157405 0.000662333 -0.000717552 -0.000339467 0.000437783 0.001175936 -0.001865411 -0.002114163 0.000121783 0.000845035 0.001250367 -0.000077112 0.001761224 0.000159821 0.002334923 -0.001183302 -0.001052900 0.001280549 0.000860168 -0.000287819 -0.001754938 0.000242740 -0.000213135 0.001558132 0.000514933 0.000535388 0.000278846 -0.000438603 -0.001142484 0.002476364 0.000364272 -0.000599480 -0.001254318 -0.001367763 -0.000338788 -0.000520466 -0.000444218 -0.000468539 0.000708996 -0.000844759 0.000004056 -0.000768234 0.000452821 0.000006804 0.000559881 -0.000557425 0.000264226 0.000551457 0.000378192 -0.000274266 -0.001813171 0.000602989 0.001722895 -0.000732584 0.000857053 -0.000311999 0.001468732 -0.000735180 0.015863191 0.004463625 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.26039784031 -1165.26069663612 -0.000298795807 -1165.26069456333 0.000002072789 -1165.26070088797 -0.000006324638 -1165.26070132922 -0.000000441249 -1165.26070142222 -0.000000092996 -1165.26070142979 -0.000000007577 -1165.26070143116 -0.000000001369 -1165.26070143133 -0.000000000168 -1165.26070143136 -0.000000000028 -1165.26070143126 0.000000000095 -1165.26070143 11 1.160513365339e+03 -7.538604196774e+03 2.801933388489e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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) PT123185.200S Sat Jan 22 14:43:38 2022 1.34073380e+00 -2.10630665e-01 1.03905890e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2607014 4.385E-9 2.411E-6 -5.389273,15.6103217,-10.2210487,1.3151901,-4.8329117,-3.3746796 C01 [X(C18H23N3O4)] -1.5287937 0.404352 0.6487413 0.000003376 -0.000000342 0.000000607 -0.000003424 -0.000008070 -0.000008989 0.000001135 0.000000496 0.000000946 -0.000002525 0.000000277 0.000003903 0.000000895 -0.000000550 -0.000005822 0.000002584 -0.000003633 0.000000040 -0.000000832 0.000000932 -0.000000960 0.000001923 -0.000005523 0.000004474 0.000000593 -0.000001347 -0.000005974 -0.000002702 -0.000001497 0.000005867 -0.000000671 0.000001868 0.000000250 0.000001438 -0.000001336 -0.000004096 0.000001229 0.000000453 -0.000000156 0.000006118 0.000008382 0.000006724 -0.000002834 0.000000049 -0.000001715 0.000000857 0.000000927 0.000005089 -0.000001873 -0.000004132 -0.000006017 -0.000001212 0.000000857 -0.000001261 0.000001252 0.000000253 0.000001645 -0.000002035 0.000004173 0.000000924 -0.000000720 0.000003088 0.000000715 -0.000000700 0.000004693 0.000003589 -0.000001383 0.000000531 -0.000000906 0.000001177 -0.000000620 0.000002729 -0.000000185 0.000001094 0.000003316 -0.000000077 0.000002408 -0.000003238 0.000001468 0.000000710 0.000000644 0.000001677 -0.000000733 0.000000630 -0.000000396 -0.000001741 -0.000002330 -0.000001998 0.000002429 -0.000001151 0.000000420 -0.000000911 -0.000001006 0.000000847 0.000000104 -0.000000961 0.000000674 -0.000000801 -0.000001164 0.000001046 -0.000000487 0.000001202 -0.000000505 -0.000000972 -0.000000321 -0.000001133 0.000000291 -0.000000446 -0.000000183 -0.000000137 -0.000000075 -0.000000459 0.000001045 -0.000000296 0.000000710 -0.000000107 0.000000484 0.000000437 -0.000001027 0.000002256 -0.000000512 -0.000000470 -0.000000929 -0.000000589 -0.000000069 0.000000718 -0.000000797 0.000000111 -0.000001118 -0.000001220 0.000001158 -0.000000210 -0.000000372 0.000000123 0.000000457 -0.000000069 -0.000000224 0.000000578 -0.000000366 -0.000000786 0.000001329 -0.000000084 -0.000000938 0.000000022 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-ESTREMERA PAULAPLA Optimization pefurazoate CONF23 gas 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 CONF23 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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/gas/CONF23/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 1.3377 1.4528 1.3684 1.3636 1.2051 1.2142 1.4762 1.4837 1.3625 1.4371 1.3891 1.3768 1.3094 1.3802 1.5348 1.5402 1.0948 1.5295 1.0911 1.0916 1.4879 1.0912 1.0854 1.0924 1.0953 1.0936 1.3605 1.5197 1.091 1.0916 1.5387 1.0962 1.0951 1.4336 1.079 1.5021 1.0914 1.098 1.3679 1.0768 1.0793 1.3594 1.0784 1.077 1.0788 1.3323 1.0901 1.0845 1.086 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 48 119.9668 107.0664 117.3169 116.5202 123.2225 129.4854 123.802 106.6581 105.734 112.9467 113.5809 105.4462 111.99 108.165 103.926 112.4324 108.8759 107.1349 110.8548 110.621 106.6872 113.8791 107.1144 109.475 110.1345 108.7142 107.322 125.6226 111.1773 123.0479 124.4948 119.5956 115.9055 110.6358 111.4333 111.4748 107.6282 107.5971 107.8957 117.0425 110.0133 132.8109 108.1169 109.2527 105.4849 112.4561 111.5889 109.6693 112.5798 108.4644 108.209 110.3256 110.3184 106.7411 106.3761 125.9246 127.6938 112.6048 109.6639 108.3598 109.412 109.6634 106.9745 105.2932 121.992 132.6477 111.6185 121.4959 126.8852 106.2269 127.4197 126.3505 110.3152 116.0369 133.6322 110.6779 121.5287 127.7864 124.4688 116.323 119.2045 121.694 121.0991 117.206 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 1.3539 176.9627 123.6071 0.9247 -116.897 175.8643 -0.4782 0.3633 179.1188 127.3695 -103.6931 9.4511 -71.3809 57.5564 170.7006 77.7369 -44.2825 -160.3436 -82.1532 155.8274 39.7663 0.2821 -178.9768 160.3198 -18.9392 125.1791 -55.5234 -51.7658 127.5317 -178.0522 -0.6804 -0.7017 176.67 178.8789 -1.3308 1.3397 -178.87 -1.3751 178.8484 0.907 -178.1951 -59.4058 63.8367 178.8592 170.8416 -65.9159 49.1066 56.909 -179.8485 -64.826 26.5422 -157.716 155.9651 -28.2931 -87.5139 88.2279 -179.3867 -59.6853 60.9238 58.4852 178.1866 -61.2043 -59.6572 60.0442 -179.3467 -85.7109 89.6023 34.6261 -150.0606 151.9502 -32.7366 0.4034 179.5981 -175.1545 4.0402 -71.8822 165.7426 50.3048 48.8235 -73.5517 171.0105 172.5505 50.1753 -65.2625 170.0701 47.9908 -68.4484 -68.6095 169.3112 52.872 49.0821 -72.9972 170.5636 -0.1739 -179.5781 -179.3498 1.2461 -122.8811 56.4078 -0.6595 178.6294 116.3818 -64.3294 -0.1051 178.9264 -177.0743 1.9573 -0.1176 -178.5727 179.2948 0.8397 179.6081 -0.753 0.3383 179.9772 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00077 0.00112 0.00204 0.00225 0.00305 0.00313 0.00380 0.00405 0.00538 0.00784 0.01029 0.01072 0.01218 0.01322 0.01411 0.01464 0.01906 0.01950 0.02122 0.02400 0.02678 0.02999 0.03170 0.03237 0.03803 0.03849 0.03919 0.04061 0.04195 0.04312 0.04514 0.04559 0.04572 0.04609 0.04715 0.05001 0.05199 0.05373 0.05523 0.05600 0.05616 0.05990 0.06307 0.06471 0.07156 0.07199 0.08038 0.08849 0.09208 0.09333 0.09641 0.09883 0.10062 0.10084 0.10478 0.10526 0.10623 0.10692 0.11315 0.11574 0.11683 0.12140 0.12478 0.12970 0.13532 0.13772 0.14128 0.14559 0.15863 0.15956 0.16472 0.18104 0.19445 0.20035 0.20348 0.20746 0.21429 0.21915 0.22037 0.22512 0.22974 0.23425 0.23772 0.24302 0.24769 0.25321 0.27372 0.27902 0.28244 0.29506 0.30331 0.30508 0.31098 0.31393 0.32365 0.32470 0.32618 0.32635 0.32797 0.32812 0.33007 0.33298 0.33336 0.33573 0.33831 0.34087 0.34150 0.34279 0.34380 0.34448 0.34778 0.35133 0.35317 0.35394 0.35615 0.35897 0.36611 0.36824 0.36994 0.37208 0.37380 0.37426 0.37832 0.39396 0.42741 0.43160 0.43352 0.45998 0.46231 0.47353 0.50184 0.54237 0.54781 0.57591 0.62122 0.82299 0.83277 0.86874 Angle between quadratic step and forces= 76.82 degrees. 1 2 0.00091727 0.00000032 0.00000015 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.52782 2.74543 2.58590 2.57685 2.27729 2.29456 2.78958 2.80371 2.57471 2.71565 2.62504 2.60177 2.47435 2.60821 2.90038 2.91064 2.06879 2.89031 2.06183 2.06286 2.81178 2.06201 2.05112 2.06434 2.06987 2.06652 2.57093 2.87183 2.06168 2.06276 2.90772 2.07161 2.06950 2.70920 2.03904 2.83863 2.06252 2.07497 2.58505 2.03481 2.03952 2.56883 2.03784 2.03524 2.03871 2.51768 2.05998 2.04944 2.05220 2.09381 1.86866 2.04757 2.03366 2.15064 2.25995 2.16075 1.86153 1.84541 1.97129 1.98236 1.84038 1.95459 1.88783 1.81385 1.96232 1.90024 1.86986 1.93478 1.93070 1.86204 1.98756 1.86950 1.91070 1.92221 1.89742 1.87312 2.19253 1.94041 2.14759 2.17284 2.08734 2.02293 1.93096 1.94488 1.94560 1.87847 1.87792 1.88314 2.04278 1.92009 2.31799 1.88700 1.90682 1.84106 1.96273 1.94759 1.91409 1.96489 1.89306 1.88860 1.92555 1.92542 1.86298 1.85661 2.19780 2.22868 1.96532 1.91400 1.89124 1.90960 1.91399 1.86706 1.83771 2.12916 2.31514 1.94811 2.12050 2.21456 1.85401 2.22389 2.20523 1.92536 2.02523 2.33232 1.93169 2.12108 2.23029 2.17239 2.03022 2.08051 2.12396 2.11358 2.04563 0.02363 3.08858 2.15735 0.01614 -2.04024 3.06941 -0.00835 0.00634 3.12621 2.22302 -1.80979 0.16495 -1.24583 1.00455 2.97929 1.35676 -0.77287 -2.79852 -1.43384 2.71970 0.69405 0.00492 -3.12373 2.79811 -0.33055 2.18479 -0.96907 -0.90348 2.22585 -3.10760 -0.01187 -0.01225 3.08347 3.12203 -0.02323 0.02338 -3.12187 -0.02400 3.12149 0.01583 -3.11009 -1.03683 1.11416 3.12168 2.98175 -1.15045 0.85707 0.99325 -3.13895 -1.13143 0.46325 -2.75266 2.72210 -0.49381 -1.52741 1.53987 -3.13089 -1.04171 1.06332 1.02076 3.10994 -1.06822 -1.04121 1.04797 -3.13019 -1.49594 1.56386 0.60434 -2.61905 2.65203 -0.57136 0.00704 3.13458 -3.05702 0.07051 -1.25458 2.89275 0.87798 0.85213 -1.28372 2.98470 3.01157 0.87572 -1.13904 2.96828 0.83760 -1.19465 -1.19746 2.95504 0.92279 0.85664 -1.27404 2.97690 -0.00304 -3.13423 -3.13024 0.02175 -2.14468 0.98450 -0.01151 3.11767 2.03124 -1.12276 -0.00183 3.12285 -3.09053 0.03416 -0.00205 -3.11668 3.12928 0.01466 3.13475 -0.01314 0.00590 3.14119 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00002 0.00000 -0.00001 -0.00002 0.00004 0.00002 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 0.00004 -0.00002 -0.00007 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00003 0.00002 -0.00000 -0.00007 0.00002 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00004 -0.00004 0.00001 -0.00006 0.00006 -0.00002 0.00000 0.00002 -0.00002 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00002 -0.00001 0.00003 -0.00005 0.00001 0.00005 -0.00000 0.00001 -0.00001 -0.00004 -0.00000 0.00001 -0.00001 0.00003 0.00002 0.00001 0.00000 -0.00001 0.00002 0.00001 -0.00002 0.00000 -0.00002 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00001 0.00052 0.00055 0.00054 0.00008 0.00008 -0.00007 -0.00007 0.00031 0.00033 0.00038 0.00011 0.00013 0.00019 0.00084 0.00092 0.00096 0.00104 0.00112 0.00116 -0.00006 -0.00006 -0.00025 -0.00025 0.00019 0.00019 0.00015 0.00015 -0.00003 -0.00006 0.00000 -0.00003 0.00003 -0.00001 -0.00000 -0.00004 -0.00000 0.00004 0.00000 0.00001 0.00002 0.00000 0.00002 -0.00002 -0.00004 -0.00002 0.00000 -0.00002 0.00000 -0.00030 -0.00026 -0.00027 -0.00024 -0.00035 -0.00032 0.00011 0.00011 0.00010 0.00011 0.00011 0.00011 0.00009 0.00009 0.00009 -0.00060 -0.00060 -0.00067 -0.00067 -0.00069 -0.00069 -0.00005 0.00001 -0.00005 0.00001 -0.00005 -0.00001 -0.00004 -0.00008 -0.00004 -0.00007 -0.00009 -0.00005 -0.00008 0.00000 -0.00002 -0.00002 -0.00003 -0.00006 -0.00006 0.00000 -0.00003 -0.00002 0.00001 -0.00001 -0.00005 -0.00007 -0.00029 -0.00024 -0.00026 -0.00021 -0.00027 -0.00021 -0.00000 -0.00001 0.00003 0.00003 0.00004 0.00003 0.00006 0.00005 0.00005 0.00001 -0.00001 -0.00005 -0.00001 -0.00001 0.00002 -0.00002 0.00000 -0.00001 -0.00002 0.00004 0.00002 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 0.00004 -0.00002 -0.00007 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00003 0.00002 -0.00000 -0.00007 0.00002 -0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00004 -0.00004 0.00001 -0.00006 0.00006 -0.00002 0.00000 0.00002 -0.00002 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00002 -0.00001 0.00003 -0.00005 0.00001 0.00005 -0.00000 0.00001 -0.00001 -0.00004 -0.00000 0.00001 -0.00001 0.00003 0.00002 0.00001 0.00000 -0.00001 0.00002 0.00001 -0.00002 0.00000 -0.00002 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00001 0.00052 0.00055 0.00054 0.00008 0.00008 -0.00007 -0.00007 0.00031 0.00033 0.00038 0.00011 0.00013 0.00019 0.00084 0.00092 0.00096 0.00104 0.00112 0.00116 -0.00006 -0.00006 -0.00025 -0.00025 0.00019 0.00019 0.00015 0.00015 -0.00003 -0.00006 0.00000 -0.00003 0.00003 -0.00001 -0.00000 -0.00004 -0.00000 0.00004 0.00000 0.00001 0.00002 0.00000 0.00002 -0.00002 -0.00004 -0.00002 0.00000 -0.00002 0.00000 -0.00030 -0.00026 -0.00027 -0.00024 -0.00035 -0.00032 0.00011 0.00011 0.00010 0.00011 0.00011 0.00011 0.00009 0.00009 0.00009 -0.00060 -0.00060 -0.00067 -0.00067 -0.00069 -0.00069 -0.00005 0.00001 -0.00005 0.00001 -0.00005 -0.00001 -0.00004 -0.00008 -0.00004 -0.00007 -0.00009 -0.00005 -0.00008 0.00000 -0.00002 -0.00002 -0.00003 -0.00006 -0.00006 0.00000 -0.00003 -0.00002 0.00001 -0.00001 -0.00005 -0.00007 -0.00029 -0.00024 -0.00026 -0.00021 -0.00027 -0.00021 -0.00000 -0.00001 0.00003 0.00003 0.00004 0.00003 0.00006 0.00005 0.00005 0.00001 -0.00001 -0.00005 2.52781 2.74542 2.58592 2.57683 2.27729 2.29455 2.78956 2.80375 2.57473 2.71565 2.62504 2.60176 2.47434 2.60822 2.90040 2.91062 2.06879 2.89031 2.06183 2.06286 2.81177 2.06199 2.05112 2.06434 2.06987 2.06652 2.57093 2.87183 2.06167 2.06276 2.90773 2.07160 2.06950 2.70919 2.03904 2.83863 2.06253 2.07497 2.58504 2.03481 2.03951 2.56883 2.03784 2.03524 2.03871 2.51768 2.05998 2.04943 2.05220 2.09381 1.86866 2.04761 2.03364 2.15056 2.25995 2.16075 1.86153 1.84541 1.97129 1.98239 1.84041 1.95459 1.88776 1.81387 1.96230 1.90026 1.86984 1.93477 1.93071 1.86206 1.98761 1.86946 1.91071 1.92215 1.89748 1.87310 2.19253 1.94043 2.14757 2.17286 2.08733 2.02292 1.93096 1.94489 1.94560 1.87846 1.87793 1.88313 2.04276 1.92009 2.31802 1.88694 1.90683 1.84111 1.96273 1.94761 1.91408 1.96485 1.89306 1.88861 1.92554 1.92545 1.86300 1.85662 2.19780 2.22867 1.96535 1.91401 1.89122 1.90960 1.91396 1.86706 1.83772 2.12916 2.31514 1.94811 2.12051 2.21456 1.85401 2.22389 2.20523 1.92537 2.02523 2.33231 1.93169 2.12107 2.23030 2.17240 2.03021 2.08051 2.12396 2.11358 2.04563 0.02358 3.08857 2.15787 0.01669 -2.03970 3.06949 -0.00827 0.00627 3.12615 2.22332 -1.80946 0.16534 -1.24572 1.00468 2.97947 1.35761 -0.77196 -2.79757 -1.43280 2.72082 0.69521 0.00486 -3.12380 2.79786 -0.33080 2.18497 -0.96888 -0.90333 2.22600 -3.10762 -0.01193 -0.01225 3.08344 3.12205 -0.02324 0.02338 -3.12191 -0.02400 3.12153 0.01583 -3.11008 -1.03681 1.11416 3.12170 2.98173 -1.15049 0.85706 0.99325 -3.13897 -1.13143 0.46295 -2.75293 2.72183 -0.49405 -1.52776 1.53955 -3.13078 -1.04160 1.06342 1.02087 3.11006 -1.06811 -1.04112 1.04806 -3.13010 -1.49654 1.56325 0.60367 -2.61972 2.65134 -0.57205 0.00699 3.13458 -3.05708 0.07052 -1.25463 2.89274 0.87795 0.85205 -1.28376 2.98463 3.01148 0.87567 -1.13912 2.96829 0.83757 -1.19467 -1.19749 2.95498 0.92273 0.85665 -1.27407 2.97687 -0.00303 -3.13424 -3.13030 0.02168 -2.14497 0.98426 -0.01177 3.11747 2.03098 -1.12297 -0.00184 3.12285 -3.09050 0.03419 -0.00201 -3.11665 3.12934 0.01471 3.13480 -0.01314 0.00590 3.14115 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000001 0.005458 0.000917 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -8.123976e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2410.9585296710 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 -0.0617881562 0.000000 2.962840 0.000000 2.262608 4.497812 0.000000 2.998562 5.006800 3.606669 0.000000 2.683274 3.228989 3.626648 2.281346 0.000000 4.006924 4.744072 5.382527 2.294134 2.373250 0.000000 5.643241 6.118725 7.330813 4.166602 4.497512 2.222242 0.000000 2.377038 3.383654 2.418479 2.728121 1.476181 3.721488 5.871009 0.000000 3.684322 4.851797 2.863351 3.084936 2.510263 4.403951 6.622512 1.534814 0.000000 3.336062 2.436771 4.661782 3.616333 1.483658 2.834480 4.536727 2.527948 3.686366 0.000000 1.337665 3.525114 1.205090 2.866242 2.524006 4.322388 6.272103 1.540244 2.549189 3.507428 0.000000 2.954697 4.216780 3.997942 1.214231 1.362478 1.437061 3.589275 2.414864 3.095431 2.504528 2.987693 0.000000 4.908969 5.363573 4.327747 4.050261 3.024546 4.760596 6.923346 2.546868 1.529484 3.821315 3.910139 3.751526 0.000000 2.981478 1.368399 4.783239 4.245934 2.490473 3.518597 4.795425 3.232609 4.669531 1.487928 3.631104 3.278674 5.085725 0.000000 1.452819 3.809069 2.779406 3.994455 4.111610 5.094406 6.406912 3.757683 4.934423 4.675410 2.416912 4.179044 6.263630 4.024357 0.000000 2.406924 4.719346 3.902769 3.932649 4.616472 4.859382 5.735881 4.640314 5.745886 5.217569 3.465317 4.246790 7.055531 4.567115 1.519705 0.000000 3.444641 2.235550 5.568656 4.691056 3.449124 3.682034 4.340569 4.327572 5.779553 2.610778 4.434098 3.804641 6.295107 1.360476 4.125225 4.287699 0.000000 3.044720 5.770521 3.919285 3.366197 4.779849 4.749016 5.669472 4.776393 5.536160 5.722010 3.668777 4.080196 6.899115 5.436584 2.544176 1.538701 5.298543 0.000000 5.212052 5.377350 6.501059 3.477803 3.108812 1.389111 2.260452 4.528974 5.036766 3.167102 5.426523 2.556074 4.973714 4.078579 6.382026 6.208754 4.289262 6.133816 0.000000 4.419262 5.309970 6.060888 2.963709 3.514191 1.376797 1.309368 4.775671 5.575009 3.831591 5.034276 2.482365 6.087524 4.072969 5.189334 4.569650 3.760647 4.458474 2.218487 0.000000 3.686729 2.234820 5.781616 5.660121 4.482804 5.006171 5.605625 5.018343 6.545588 3.712253 4.797678 4.934832 7.195868 2.237421 3.950834 4.253163 1.433645 5.559696 5.711185 4.981340 0.000000 3.398494 1.363609 5.158323 5.781021 4.332598 5.478666 6.502313 4.511399 6.023927 3.588883 4.283237 5.088891 6.670348 2.197087 3.749430 4.520123 2.234367 5.825438 6.198672 5.740217 1.359367 0.000000 6.046474 6.155602 7.560930 4.392098 4.298332 2.191647 1.380206 5.744111 6.343903 4.197925 6.470031 3.604424 6.340451 4.793993 7.043598 6.620205 4.629249 6.563713 1.367949 2.144652 6.021599 6.760451 0.000000 4.302991 6.767238 5.356441 3.960814 5.618094 4.927949 5.281347 5.909380 6.620466 6.486874 5.005695 4.654077 7.870748 6.215133 3.874713 2.529991 5.833704 1.502139 6.232642 4.262866 6.201097 6.740918 6.372501 0.000000 4.934196 7.268958 5.947316 3.722531 5.620544 4.471806 4.597774 6.115838 6.661294 6.540890 5.500310 4.439128 7.761367 6.503593 4.844038 3.609321 6.150023 2.509330 5.648841 3.718412 6.777602 7.400373 5.674692 1.332297 0.000000 2.792865 2.855322 2.852908 3.777095 2.058744 4.427263 6.502032 1.094757 2.145179 2.470356 2.093436 3.284005 2.743224 3.040385 4.106526 5.192386 4.297931 5.575514 5.077299 5.489856 4.831058 4.087253 6.288851 6.764786 7.063058 0.000000 3.866475 5.510655 3.062098 2.491585 2.782818 4.146517 6.297428 2.151656 1.091073 4.170630 2.824200 2.854731 2.172080 5.153219 5.014983 5.582595 6.102704 5.093377 4.863017 5.228415 6.948672 6.595176 6.105185 6.048732 5.957142 3.043763 0.000000 3.967502 5.240521 2.526552 3.875181 3.418482 5.408614 7.616246 2.129442 1.091619 4.507688 2.664123 4.040475 2.169557 5.314388 5.034565 6.014552 6.444924 5.819127 6.110215 6.511925 7.028992 6.349886 7.404171 7.037140 7.217759 2.465170 1.751022 0.000000 3.926955 2.580441 4.868725 4.360944 2.084398 3.782293 5.524844 2.647770 3.610204 1.091166 3.834482 3.326310 3.447071 2.126576 5.286426 6.040583 3.404580 6.564537 3.917250 4.876515 4.302212 3.887498 5.023261 7.442150 7.527876 2.205094 4.321374 4.327328 0.000000 4.194342 3.285904 5.603739 3.907499 2.110244 2.472395 3.872601 3.414752 4.370620 1.085406 4.437945 2.696621 4.287611 2.104371 5.485160 5.799369 2.819303 6.217510 2.379416 3.445250 4.126979 4.282258 3.322485 6.766924 6.640040 3.478627 4.710867 5.304112 1.753287 0.000000 5.803787 6.439145 4.926871 4.681125 4.024930 5.548111 7.670783 3.494139 2.170332 4.889795 4.708454 4.565565 1.092403 6.171372 7.097201 7.861690 7.362511 7.550383 5.697823 6.862628 8.271932 7.738526 7.047210 8.493330 8.312998 3.743369 2.509647 2.513709 4.514094 5.284629 0.000000 5.152525 5.080586 4.607791 4.847692 3.388963 5.361893 7.493606 2.814123 2.182528 3.824659 4.188836 4.395381 1.095329 5.001442 6.503685 7.454375 6.307158 7.496513 5.508601 6.691093 7.096605 6.421086 6.866151 8.553050 8.548870 2.561290 3.087239 2.529535 3.165606 4.376913 1.765731 0.000000 5.068346 5.348276 4.925349 3.817812 2.725658 4.059046 6.122473 2.823611 2.181702 3.398938 4.290036 3.316538 1.093556 4.813038 6.484073 7.102635 5.939186 6.941023 4.050593 5.426158 7.003326 6.653852 5.411061 7.749988 7.502189 3.117577 2.539657 3.084570 3.138237 3.608123 1.763950 1.769674 0.000000 2.084758 4.565723 2.331778 4.360539 4.667168 5.828212 7.273062 4.003587 4.937130 5.405608 2.484125 4.751029 6.371094 4.909703 1.090991 2.183205 5.158652 2.745156 7.130449 6.009643 4.962432 4.592313 7.877293 4.202849 5.219215 4.367294 4.985526 4.819598 5.901808 6.278233 7.094226 6.627424 6.748466 0.000000 2.036907 3.415662 3.459269 4.875342 4.582562 5.659716 6.857830 4.262774 5.573663 4.829771 3.061400 4.853869 6.797488 3.896764 1.091565 2.172959 3.901077 3.495629 6.861539 5.729980 3.367336 3.042254 7.476568 4.693774 5.705677 4.354747 5.816148 5.643109 5.362852 5.667561 7.697061 6.880560 7.018730 1.784226 0.000000 3.338729 5.388694 4.684707 5.008003 5.673699 5.866587 6.525417 5.651842 6.766784 6.175050 4.393416 5.331275 8.101373 5.366586 2.136946 1.096246 4.935166 2.177427 7.196979 5.442383 4.635128 4.942443 7.505056 2.859073 4.105650 6.124278 6.619930 6.955579 6.980002 6.754809 8.904137 8.460392 8.179896 2.592120 2.430194 0.000000 2.550885 4.330725 4.483612 3.834316 4.307642 4.224718 4.859684 4.660989 5.886040 4.695234 3.774634 3.892358 7.043333 3.953997 2.132825 1.095133 3.443501 2.176503 5.508723 3.785450 3.541097 4.086187 5.787993 2.709970 3.542539 5.179563 5.756496 6.322430 5.616491 5.135465 7.919959 7.422909 6.935742 3.059911 2.520393 1.758606 0.000000 4.040449 3.274810 6.194556 4.672333 3.749225 3.264965 3.432278 4.865093 6.213344 3.013391 5.036601 3.776534 6.674676 2.176636 4.694606 4.531058 1.079014 5.371647 3.766142 3.065290 2.260822 3.283029 3.829585 5.635590 5.769533 5.006342 6.388584 6.988204 3.938494 2.858507 7.703753 6.809938 6.172269 5.751721 4.616340 5.180763 3.542975 0.000000 2.668546 5.468593 3.337574 2.345808 3.951594 4.030196 5.268545 3.935733 4.556842 5.066134 3.009817 3.195138 5.895208 5.043641 2.700471 2.165430 5.126118 1.091440 5.401240 3.994734 5.607010 5.777492 5.989294 2.130133 2.619850 4.843165 4.042452 4.912585 5.869578 5.557391 6.510742 6.558815 5.927498 2.881325 3.749326 3.069011 2.592424 5.206320 0.000000 3.579634 6.427748 3.899877 4.083962 5.523555 5.730039 6.740991 5.261495 5.872186 6.542419 3.985156 4.919684 7.325572 6.264861 2.841149 2.153511 6.215438 1.098025 7.113074 5.521945 6.342992 6.460973 7.606734 2.138246 3.190443 6.033864 5.414086 5.967450 7.296495 7.127623 7.890724 7.917832 7.505893 2.619342 3.784841 2.445676 3.062968 6.382717 1.759732 0.000000 5.563947 5.515901 6.591746 3.830095 3.102292 2.161940 3.319452 4.414000 4.709910 3.120369 5.558344 2.880082 4.341342 4.315195 6.860149 6.885609 4.800591 6.805395 1.076775 3.243674 6.207618 6.507782 2.242002 7.052449 6.494594 4.863505 4.640434 5.795995 3.595837 2.331708 5.007507 4.829614 3.322125 7.534630 7.328511 7.915370 6.266300 4.447116 5.975979 7.720060 0.000000 4.036066 5.362567 5.731262 2.901528 3.828436 2.147788 2.139076 4.874924 5.748344 4.292716 4.794560 2.753879 6.502734 4.277985 4.543050 3.699095 3.834158 3.541468 3.246087 1.079265 4.833023 5.619782 3.199809 3.231943 2.808437 5.638785 5.348742 6.574218 5.366038 4.136941 7.277730 7.120696 5.987550 5.348455 5.134000 4.506942 2.943422 3.234135 3.254004 4.620995 4.222449 0.000000 4.443508 3.274362 6.570485 6.418157 5.462231 5.724576 5.994311 6.011437 7.538230 4.737076 5.650626 5.769242 8.242019 3.284246 4.413176 4.484822 2.257675 5.872011 6.439167 5.469466 1.078377 2.179114 6.564940 6.358577 7.002278 5.870173 7.882034 8.003941 5.363446 5.056818 9.311764 8.168090 8.034986 5.426380 3.739602 4.636330 3.738099 2.748737 6.097711 6.635922 7.034078 5.210117 0.000000 3.937707 2.075730 5.402545 6.588056 5.158475 6.489666 7.564182 5.089031 6.549083 4.486263 4.715678 5.983832 7.232715 3.191802 4.056785 4.995962 3.303578 6.366929 7.234982 6.767589 2.242379 1.077002 7.832207 7.379518 8.159013 4.542750 7.190770 6.715086 4.622110 5.253860 8.271299 6.886880 7.344781 4.736971 3.166599 5.266955 4.736499 4.336793 6.393226 6.863479 7.497962 6.584503 2.743177 0.000000 7.087577 6.965706 8.597761 5.428973 5.238516 3.247235 2.150848 6.691981 7.232342 4.995260 7.499330 4.633400 7.068730 5.602923 8.091158 7.657323 5.402325 7.614674 2.200833 3.168293 6.779872 7.556433 1.078837 7.349104 6.590100 7.173729 7.015649 8.309218 5.717047 4.014027 7.726329 7.553277 6.071953 8.941803 8.481795 8.512740 6.789997 4.557397 7.056017 8.662097 2.759283 4.186620 7.274349 8.628936 0.000000 4.988955 7.315928 6.122993 5.014114 6.532222 5.818630 5.919329 6.816930 7.612858 7.282006 5.815390 5.630187 8.885826 6.835376 4.304205 2.842067 6.294072 2.212903 7.096602 5.015159 6.478184 7.096803 7.111906 1.090095 2.092985 7.603257 7.088009 7.984803 8.251193 7.561200 9.536013 9.523287 8.775112 4.628024 4.965853 2.750221 3.027464 6.083380 3.088635 2.587376 7.968366 3.943275 6.458979 7.665421 8.046305 0.000000 5.949309 8.137297 7.031623 4.651829 6.519967 5.090647 4.765060 7.123435 7.656272 7.356324 6.564512 5.288453 8.686446 7.299500 5.819641 4.490125 6.817424 3.499352 6.128898 4.145408 7.456077 8.203048 5.930046 2.114104 1.084515 8.065611 6.923142 8.252180 8.376862 7.340848 9.218079 9.494946 8.351752 6.227738 6.617931 4.842136 4.321670 6.306666 3.702179 4.109936 7.035827 3.297876 7.579233 8.986676 6.735708 2.434147 0.000000 4.698841 7.020501 5.545972 2.888519 4.951711 3.780641 4.210830 5.474924 5.862321 5.990775 5.062863 3.690154 6.880784 6.187364 4.906545 3.921068 6.022271 2.760702 4.921838 3.264064 6.820404 7.350164 5.097312 2.109268 1.085978 6.482529 5.088409 6.484145 6.934290 6.058040 7.377128 7.728101 6.587346 5.258074 5.838943 4.637068 3.835646 5.656031 2.414012 3.472415 5.681972 2.569586 7.198918 8.156224 6.033027 3.069353 1.852684 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2276467 0.2185202 0.1958677 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 688 RedAO= T EigKep= 2.15D-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= 712 711 711 712 712 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26070143120 -1165.26070143 1 1.160513365467e+03 -7.538604203392e+03 2.801933394979e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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 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= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 810000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 79.08% of shell-pairs survive, threshold= 0.20 IRatSp=79. 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 3.46D+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= 7.50D+01 1.56D+00. 144 vectors produced by pass 2 Test12= 5.48D-14 1.00D-09 XBig12= 6.76D-01 5.21D-02. 144 vectors produced by pass 3 Test12= 5.48D-14 1.00D-09 XBig12= 3.48D-03 6.54D-03. 144 vectors produced by pass 4 Test12= 5.48D-14 1.00D-09 XBig12= 8.77D-06 3.21D-04. 127 vectors produced by pass 5 Test12= 5.48D-14 1.00D-09 XBig12= 1.37D-08 9.54D-06. 39 vectors produced by pass 6 Test12= 5.48D-14 1.00D-09 XBig12= 1.74D-11 3.52D-07. 3 vectors produced by pass 7 Test12= 5.48D-14 1.00D-09 XBig12= 2.12D-14 1.55D-08. InvSVY: IOpt=1 It= 1 EMax= 3.38D-14 Solved reduced A of dimension 889 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 234.75 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 241.944 11.935 243.859 -12.842 9.522 218.435 363.975 20.681 363.114 -26.886 6.669 328.592 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT67254.700S Sat Jan 22 17:04:19 2022 1.34073388e+00 -2.10629914e-01 1.03905867e+00 2.41943515e+02 1.19347063e+01 2.43859290e+02 -1.28422116e+01 9.52197856e+00 2.18435416e+02 -5.2084 0.0003 0.0006 0.0006 0.8899 2.6881 14.7104 18.5914 29.2082 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 14.7044 18.5716 29.2042 37.6450 47.1483 54.4695 64.0375 75.9558 89.1503 93.3386 104.4364 107.8618 131.0572 137.6671 153.2137 181.8202 185.4371 219.9179 228.4327 242.4099 254.0824 269.7948 311.3483 332.4836 347.0145 358.0061 393.4831 417.5986 435.9305 472.4833 489.3269 522.5313 548.1546 613.9593 614.8614 642.2160 650.3749 654.2993 672.2795 707.8175 742.0786 746.2962 761.7201 774.8474 779.0239 792.9834 795.2850 838.0361 850.6901 862.0248 880.7655 887.6194 892.6777 905.2589 906.6842 917.5076 927.8984 949.1866 962.8847 965.3928 966.4387 970.4974 1014.6976 1027.6142 1035.6982 1036.7745 1061.0243 1066.5818 1085.5146 1100.1747 1105.8268 1116.2149 1128.8791 1137.1220 1156.1907 1164.8777 1178.7459 1197.5959 1226.6776 1241.6847 1248.7594 1252.6270 1276.5279 1282.6602 1287.7352 1294.2220 1312.2337 1315.1144 1315.2896 1333.8529 1346.5499 1360.5067 1383.5123 1384.3563 1388.8735 1397.5255 1407.8686 1416.4510 1418.6597 1447.5698 1457.1590 1482.3246 1492.9452 1497.7276 1498.0371 1499.5418 1503.1881 1503.9941 1509.9724 1522.1683 1539.6835 1629.3373 1696.9997 1748.4338 1791.5016 3000.2517 3017.5351 3019.0674 3044.9855 3052.6823 3063.4116 3068.6884 3072.0580 3078.6371 3095.1018 3095.5680 3110.9164 3115.2482 3115.4407 3124.0162 3155.8391 3209.5905 3236.5845 3237.7992 3245.3598 3247.1697 3269.0805 3273.0350 5.3306 5.0455 6.5082 5.2978 4.0327 4.4019 4.8313 3.5833 3.8993 4.0856 3.9757 3.8397 3.5363 3.5587 3.6852 2.5151 2.4077 5.3243 2.5157 3.4895 1.8953 3.3370 3.1335 5.3037 4.3363 3.3795 3.4483 2.4301 2.2518 4.2443 3.8020 4.1534 3.7260 3.1042 4.0410 4.8384 1.5332 3.6410 3.7146 5.1715 1.3814 1.3032 3.0159 2.0088 2.3570 2.8466 2.0937 1.4129 1.3354 2.4853 1.3782 1.8810 1.4117 2.2410 5.9402 6.2713 2.7121 3.0200 2.0940 1.5830 2.0285 2.0570 2.3830 1.8775 1.6736 1.2370 2.1896 2.3316 1.5262 2.8883 2.1745 2.7501 1.8327 2.2722 2.0597 1.8384 2.8909 3.0177 2.2657 3.0318 1.5844 1.6979 1.5707 1.3015 2.0256 2.1848 2.5970 1.2814 1.1810 1.2694 1.1685 1.6827 1.7631 1.3858 2.0178 1.4066 1.4102 1.5675 1.8093 1.7940 1.1800 1.0839 1.3817 1.2046 1.1225 1.7151 1.1014 1.0802 1.0834 4.4488 4.3559 6.2606 4.4460 11.4806 12.0083 1.0711 1.0383 1.0607 1.0823 1.0835 1.0739 1.0636 1.0990 1.0695 1.0874 1.0976 1.0851 1.1086 1.1038 1.0675 1.0957 1.1162 1.0934 1.0927 1.0987 1.0970 1.1047 1.1059 0.0007 0.0010 0.0033 0.0044 0.0053 0.0077 0.0117 0.0122 0.0183 0.0210 0.0255 0.0263 0.0358 0.0397 0.0510 0.0490 0.0488 0.1517 0.0773 0.1208 0.0721 0.1431 0.1790 0.3454 0.3077 0.2552 0.3146 0.2497 0.2521 0.5583 0.5364 0.6682 0.6596 0.6894 0.9001 1.1757 0.3821 0.9184 0.9892 1.5265 0.4482 0.4276 1.0310 0.7106 0.8428 1.0547 0.7802 0.5846 0.5694 1.0881 0.6299 0.8731 0.6628 1.0820 2.8771 3.1105 1.3758 1.6031 1.1439 0.8693 1.1163 1.1415 1.4456 1.1681 1.0577 0.7834 1.4523 1.5628 1.0596 2.0597 1.5667 2.0188 1.3760 1.7310 1.6222 1.4698 2.3666 2.5500 2.0087 2.7541 1.4557 1.5697 1.5080 1.2616 1.9790 2.1562 2.6348 1.3057 1.2037 1.3306 1.2483 1.8350 1.9883 1.5647 2.2932 1.6186 1.6468 1.8529 2.1455 2.2149 1.4762 1.4033 1.8145 1.5920 1.4842 2.2722 1.4662 1.4396 1.4554 6.0732 6.0840 9.7923 7.5437 20.6783 22.7073 5.6808 5.5703 5.6964 5.9122 5.9488 5.9375 5.9009 6.1111 5.9723 6.1376 6.1969 6.1874 6.3388 6.3124 6.1381 6.4297 6.7746 6.7482 6.7493 6.8181 6.8152 6.9557 6.9803 0.2659 0.5795 0.9876 1.1771 0.1687 0.3092 0.5416 0.0569 0.6868 1.0636 0.5179 1.5676 0.5954 1.5721 0.4556 1.1460 0.8018 7.0974 0.5791 2.4899 0.1865 0.6522 0.4778 10.5764 6.2800 2.6865 4.8611 7.0509 1.1846 2.5160 7.0524 2.6186 14.1681 14.8806 13.4810 2.2837 13.9163 0.4929 23.5215 16.7751 43.3843 25.3002 31.5047 7.2500 17.5840 24.2735 6.6273 22.6079 18.0024 12.2118 0.9791 1.0253 1.3196 6.7797 3.4834 5.5066 0.6469 2.5002 1.8031 43.4683 18.7055 22.3444 32.1306 53.4498 7.9290 25.3891 7.5432 40.8338 21.9694 12.8734 6.6354 18.2524 3.7600 19.0868 5.4629 15.8866 28.8411 57.5587 194.5270 68.4612 31.3283 21.3078 38.4110 19.1595 36.3155 42.5643 81.1314 34.0834 4.4169 0.8242 6.9565 85.8938 13.4520 19.4426 53.6893 3.2720 6.1091 17.0025 8.1545 148.4074 2.2690 2.8917 81.2847 17.3577 12.2778 9.5594 10.5121 11.6670 12.5947 12.3524 11.4170 0.1785 18.3914 369.6746 325.0221 19.4524 27.9281 19.4794 3.6218 11.5458 51.2078 2.7047 19.8056 16.9630 4.8920 36.3394 21.0250 12.9670 15.6161 5.4599 3.3405 12.7428 1.0813 2.8606 14.0836 0.5050 1.1182 0.0368 -0.05 -0.00 0.08 0.13 -0.04 -0.06 -0.08 0.02 0.07 -0.04 0.01 0.03 -0.05 0.00 0.04 -0.04 -0.01 0.00 -0.07 -0.04 -0.06 -0.04 0.02 0.06 -0.02 0.03 0.06 -0.04 -0.03 0.02 -0.06 0.01 0.07 -0.04 0.00 0.03 -0.01 0.04 0.06 0.08 0.00 0.02 -0.08 -0.01 0.08 -0.09 -0.01 -0.03 0.14 0.06 0.09 0.00 0.02 -0.08 -0.04 -0.02 -0.02 -0.06 -0.03 -0.03 0.25 0.06 0.04 0.24 -0.00 -0.04 -0.06 -0.04 -0.06 0.00 0.00 -0.18 0.06 -0.02 -0.20 -0.05 0.02 0.07 -0.02 0.03 0.05 -0.02 0.04 0.08 -0.06 -0.11 -0.02 -0.11 0.02 0.05 0.01 0.05 0.06 -0.02 0.04 0.07 -0.01 0.03 0.04 -0.02 0.01 0.12 -0.14 -0.05 0.12 -0.12 -0.02 -0.03 -0.13 -0.03 -0.07 0.12 0.10 0.15 0.05 0.04 -0.07 0.03 0.04 -0.04 -0.03 -0.00 -0.01 -0.07 -0.03 -0.02 0.32 0.10 0.08 0.29 -0.03 -0.10 -0.06 -0.04 -0.09 -0.05 0.00 -0.24 0.06 -0.04 -0.27 0.12 -0.02 -0.14 -0.02 0.00 -0.03 0.03 0.03 -0.05 0.13 -0.03 0.04 0.03 -0.00 -0.03 -0.02 -0.01 0.03 -0.02 -0.02 -0.07 -0.04 -0.08 -0.14 0.02 -0.03 0.05 0.06 -0.06 0.07 -0.07 -0.00 0.05 0.05 -0.02 0.02 -0.00 -0.01 -0.02 0.05 -0.07 0.11 -0.02 0.06 0.01 0.00 0.02 -0.07 0.01 0.02 0.03 0.01 0.14 0.02 -0.07 -0.04 0.08 -0.01 -0.03 -0.12 -0.03 -0.05 -0.08 0.06 0.17 -0.04 0.07 0.10 -0.08 -0.03 -0.06 -0.16 -0.07 -0.01 0.18 -0.13 0.01 0.19 -0.00 -0.05 0.08 0.08 -0.05 0.04 0.09 -0.07 0.08 -0.09 -0.09 0.07 -0.15 0.05 0.08 0.08 -0.08 0.12 0.03 -0.07 0.14 0.02 -0.05 0.10 -0.05 -0.02 -0.13 0.07 0.08 -0.11 0.04 0.04 0.02 0.06 0.04 0.08 -0.02 0.18 0.06 -0.11 -0.06 0.09 -0.10 -0.06 0.04 0.00 -0.00 -0.11 -0.04 -0.06 -0.05 0.10 0.23 -0.06 0.11 0.09 -0.13 -0.03 -0.07 -0.20 -0.01 -0.02 0.24 -0.13 0.03 0.26 -0.19 0.02 0.12 -0.09 -0.05 -0.04 0.01 -0.04 -0.07 0.15 0.03 0.14 0.07 -0.02 -0.11 0.02 -0.02 -0.04 -0.02 0.07 -0.02 0.01 0.25 0.13 0.05 -0.00 0.02 0.11 0.04 0.02 -0.01 -0.05 -0.04 0.05 -0.00 0.05 0.03 0.00 -0.07 0.12 0.05 0.01 0.02 -0.05 -0.03 -0.10 -0.06 -0.03 -0.10 -0.10 -0.01 0.04 -0.06 0.00 -0.11 -0.11 -0.00 -0.11 0.07 -0.00 0.06 0.19 0.06 0.06 -0.06 -0.01 0.04 -0.04 -0.06 -0.10 0.17 0.10 -0.11 -0.11 0.01 -0.12 -0.09 -0.01 0.03 -0.02 0.05 0.13 0.04 -0.01 0.11 0.06 0.07 -0.02 -0.09 -0.04 -0.05 -0.03 -0.05 0.16 0.08 0.02 0.10 0.05 0.05 0.12 0.03 -0.03 -0.13 -0.06 -0.03 -0.10 -0.05 -0.03 -0.12 -0.11 -0.01 -0.08 -0.11 -0.01 0.05 -0.07 0.04 -0.11 -0.11 -0.00 -0.12 -0.11 -0.01 -0.19 -0.01 -0.05 0.14 0.21 0.07 0.08 -0.06 0.01 0.04 -0.03 -0.08 -0.15 0.20 0.14 -0.10 -0.12 0.03 -0.12 -0.09 0.00 -0.14 -0.09 -0.03 -0.05 -0.03 -0.01 -0.02 0.06 -0.02 0.29 0.05 0.22 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.02 -0.05 0.01 0.00 -0.02 -0.01 -0.11 0.05 -0.05 -0.01 0.02 0.02 0.11 0.01 0.09 -0.01 -0.01 0.01 -0.28 -0.03 -0.19 -0.02 0.04 0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 0.04 0.00 0.01 0.00 -0.02 0.03 -0.02 0.01 0.00 -0.04 0.01 -0.02 0.06 -0.01 -0.03 0.07 -0.03 0.04 -0.04 0.02 0.02 -0.04 -0.05 0.06 -0.06 -0.06 0.04 -0.10 -0.07 -0.12 0.20 -0.01 -0.02 0.00 -0.01 -0.01 0.02 0.03 -0.01 0.02 0.03 -0.33 0.04 -0.22 -0.27 -0.20 -0.21 -0.37 0.02 -0.25 0.01 -0.02 0.03 -0.01 -0.04 0.02 -0.01 -0.00 -0.00 -0.03 -0.01 -0.01 -0.01 0.03 0.02 0.04 0.02 -0.02 -0.00 0.02 0.00 0.05 -0.00 0.02 -0.02 -0.05 0.01 -0.03 0.06 -0.02 -0.04 0.08 -0.04 0.06 -0.04 0.02 -0.02 -0.06 -0.06 0.07 -0.09 -0.09 0.10 -0.04 -0.05 -0.05 -0.05 -0.01 0.01 0.03 -0.01 0.03 0.00 0.06 0.02 -0.06 0.02 0.04 -0.04 0.00 0.04 -0.04 0.03 -0.02 -0.02 -0.06 0.02 -0.01 -0.01 0.00 0.01 -0.02 0.07 -0.01 0.00 -0.00 -0.02 0.02 0.04 -0.05 0.02 0.03 0.03 -0.04 0.04 -0.01 -0.00 -0.04 -0.05 0.01 -0.05 -0.02 -0.03 0.04 -0.04 0.01 -0.03 -0.00 -0.04 0.07 -0.03 0.13 -0.01 -0.04 -0.08 0.01 -0.03 0.00 -0.01 0.01 -0.01 0.03 -0.02 0.07 -0.07 0.21 -0.06 -0.22 0.26 0.00 0.03 -0.00 -0.02 -0.01 -0.01 -0.00 -0.02 0.03 -0.02 0.08 0.03 0.00 0.10 -0.02 0.02 0.02 0.05 -0.05 0.05 0.05 -0.06 0.06 0.01 -0.04 -0.01 -0.04 0.03 -0.06 -0.08 0.03 -0.03 -0.01 -0.04 -0.09 -0.01 -0.03 0.06 -0.07 0.01 -0.12 -0.10 0.02 0.12 -0.05 -0.09 0.11 -0.04 0.21 -0.04 -0.05 -0.17 -0.00 -0.05 0.00 -0.03 0.04 -0.01 0.04 -0.01 0.12 0.02 0.34 -0.12 -0.25 0.43 -0.01 -0.32 0.15 0.05 -0.06 0.05 -0.05 -0.05 -0.00 -0.05 0.08 0.01 0.02 -0.03 0.00 -0.02 -0.05 0.02 0.01 -0.02 -0.02 -0.03 0.12 -0.08 0.15 -0.02 0.01 0.03 0.01 -0.01 0.04 -0.05 -0.02 -0.01 0.00 0.02 0.00 -0.03 0.01 -0.02 0.01 -0.01 0.08 -0.02 -0.04 0.01 -0.01 0.08 -0.09 -0.02 0.14 -0.11 0.03 -0.11 0.09 -0.01 0.07 -0.10 -0.01 -0.03 -0.16 0.07 -0.05 0.16 0.04 -0.11 0.08 -0.01 -0.04 0.00 0.07 -0.07 -0.04 -0.01 0.12 -0.09 -0.01 0.03 0.10 -0.04 0.01 0.05 0.02 -0.02 0.02 0.02 -0.02 0.04 -0.06 -0.05 -0.02 -0.08 -0.01 -0.03 0.04 -0.03 0.09 0.00 -0.00 0.10 0.01 -0.00 0.08 0.03 0.04 -0.10 -0.02 0.09 -0.09 0.01 0.19 -0.17 -0.06 0.19 -0.06 0.06 -0.15 0.15 -0.02 0.01 -0.04 0.03 0.03 -0.17 -0.06 -0.00 -0.30 0.09 -0.04 0.29 0.07 -0.15 0.14 -0.03 -0.01 -0.04 0.09 -0.09 -0.09 -0.02 0.22 -0.22 -0.02 0.06 0.11 -0.01 -0.08 0.24 0.03 0.06 -0.06 0.00 0.06 0.04 0.03 0.00 -0.08 0.03 0.03 0.03 0.03 0.05 0.04 0.03 0.05 0.05 -0.09 0.03 -0.16 0.03 0.02 -0.01 -0.01 -0.02 -0.01 0.06 0.05 0.02 0.03 0.03 -0.05 0.03 0.04 0.05 -0.14 -0.09 -0.00 0.05 0.00 0.05 -0.02 0.06 -0.13 -0.01 0.01 -0.07 0.10 -0.13 0.14 -0.06 -0.05 -0.04 0.02 0.05 0.05 -0.04 0.04 -0.08 0.07 -0.16 0.19 0.01 -0.03 0.12 -0.06 0.04 -0.08 -0.05 -0.09 0.03 -0.07 -0.07 0.01 0.04 0.03 -0.03 -0.01 0.06 -0.01 0.07 -0.09 -0.01 0.07 0.07 0.00 0.09 0.03 0.01 -0.15 -0.11 0.00 -0.16 -0.19 0.01 -0.23 -0.03 -0.02 -0.07 0.03 -0.18 0.00 0.14 -0.16 -0.02 0.01 -0.09 0.04 0.02 -0.04 0.14 -0.20 0.17 -0.06 -0.05 -0.04 -0.11 -0.06 -0.07 0.06 0.05 0.13 -0.05 0.04 -0.11 0.09 -0.25 0.26 -0.03 0.00 0.12 -0.08 0.03 -0.12 -0.03 -0.12 0.09 -0.06 -0.08 0.06 -0.09 -0.04 -0.05 -0.04 -0.01 -0.04 -0.06 0.10 -0.12 0.09 -0.00 0.04 -0.06 0.02 0.09 -0.01 -0.03 -0.01 -0.02 -0.00 0.07 -0.09 -0.02 -0.06 -0.02 -0.02 -0.02 -0.05 -0.03 -0.02 0.03 -0.02 -0.02 0.01 -0.01 0.00 -0.03 -0.00 0.05 0.18 0.08 0.01 0.03 -0.02 -0.02 0.03 0.01 -0.02 0.03 0.05 0.02 0.06 -0.12 0.05 0.00 0.08 0.03 -0.02 -0.00 0.07 -0.07 -0.02 -0.02 -0.00 -0.05 -0.01 -0.08 0.08 -0.11 -0.06 -0.02 -0.00 0.03 -0.03 0.04 0.10 -0.04 -0.01 -0.01 -0.02 -0.04 -0.09 -0.22 0.03 -0.21 0.06 -0.10 0.04 0.00 -0.04 0.06 -0.03 -0.00 0.11 0.04 0.00 0.25 0.30 -0.10 0.37 -0.00 0.14 0.03 -0.00 -0.02 0.06 -0.01 -0.03 0.06 0.06 0.04 0.02 0.05 0.02 0.13 -0.22 0.13 0.04 0.13 -0.02 -0.07 0.11 0.07 0.01 0.00 0.12 -0.07 -0.02 -0.04 0.00 -0.09 0.02 -0.14 0.17 -0.19 -0.07 -0.02 -0.02 -0.01 -0.10 0.08 0.12 -0.12 -0.00 0.15 0.03 -0.05 -0.02 0.03 -0.06 0.08 -0.13 0.13 0.13 0.02 0.02 -0.07 0.02 0.02 -0.03 0.01 -0.02 -0.03 -0.01 0.01 -0.02 -0.04 -0.00 -0.03 -0.00 -0.04 -0.07 -0.01 -0.05 -0.02 0.03 -0.02 0.03 0.02 -0.02 -0.05 0.01 0.01 0.13 0.09 -0.03 -0.02 0.02 -0.01 -0.01 0.05 -0.09 -0.00 0.06 -0.06 -0.07 0.10 -0.08 -0.04 0.02 -0.04 0.03 0.01 0.07 -0.06 -0.03 -0.03 0.02 -0.00 0.03 0.11 -0.14 0.16 0.03 -0.01 0.06 -0.03 -0.03 0.01 -0.01 -0.04 0.02 -0.02 -0.03 -0.06 -0.11 -0.17 0.01 -0.21 0.06 -0.12 -0.02 0.04 -0.01 -0.01 0.02 -0.01 0.04 0.04 -0.04 0.20 0.28 -0.14 0.30 0.01 0.11 -0.01 0.02 -0.12 0.02 0.08 -0.11 0.01 0.07 -0.08 0.01 0.07 -0.03 -0.14 0.22 -0.19 -0.03 0.03 -0.05 -0.09 0.02 -0.06 0.05 0.02 0.11 -0.10 -0.05 -0.08 0.01 0.02 0.01 0.18 -0.26 0.27 0.06 -0.01 0.10 -0.03 -0.06 0.04 -0.00 -0.08 0.06 -0.01 -0.02 -0.01 -0.04 -0.00 -0.04 -0.05 0.05 -0.05 0.02 0.01 -0.01 -0.01 -0.04 -0.14 -0.06 0.02 -0.03 -0.04 -0.04 -0.14 0.06 -0.01 0.04 -0.03 -0.00 -0.01 0.03 -0.02 0.01 -0.10 0.04 -0.01 -0.01 0.00 -0.03 -0.04 -0.02 -0.11 -0.00 -0.05 0.07 -0.06 0.05 -0.01 0.02 0.00 0.02 0.03 0.02 0.08 0.01 -0.01 0.09 -0.00 0.06 0.09 0.06 -0.01 0.06 -0.04 -0.04 -0.13 0.07 -0.06 0.12 0.02 -0.01 0.04 0.12 0.01 0.16 0.01 -0.02 0.09 0.04 0.07 -0.13 -0.05 -0.00 0.02 0.06 -0.01 -0.04 0.07 -0.05 0.03 -0.11 -0.00 0.00 -0.13 0.07 0.01 0.06 -0.06 0.08 -0.04 -0.07 0.13 -0.05 -0.02 0.03 -0.00 0.01 0.02 0.08 -0.03 -0.00 0.05 0.01 0.11 0.04 0.01 0.07 0.03 -0.04 0.14 0.02 0.11 0.04 -0.06 0.09 0.14 0.08 -0.01 0.09 -0.10 -0.06 -0.25 0.13 -0.11 0.20 0.04 -0.02 0.02 0.20 0.04 0.31 0.00 -0.16 0.24 0.05 0.01 -0.16 0.06 0.20 -0.29 0.03 -0.06 -0.01 -0.04 0.12 0.03 -0.01 -0.00 -0.01 0.00 -0.10 -0.09 -0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.03 -0.07 -0.07 -0.02 -0.08 -0.05 0.10 0.04 0.01 -0.02 -0.03 -0.00 -0.03 -0.03 0.09 0.07 -0.11 -0.05 0.13 0.03 0.03 -0.09 0.06 0.03 -0.10 0.02 -0.00 0.07 0.11 0.07 -0.10 0.00 -0.07 -0.02 -0.09 0.03 0.02 0.07 0.04 0.01 0.16 0.01 0.05 0.12 -0.07 -0.01 -0.09 0.05 0.02 -0.04 -0.01 0.01 0.04 0.01 -0.04 -0.11 -0.11 -0.14 -0.02 -0.19 0.05 -0.14 -0.05 0.09 0.08 -0.06 0.11 0.07 -0.01 0.05 -0.13 0.17 0.22 -0.23 0.25 -0.00 0.00 0.05 -0.04 0.12 0.01 -0.15 0.09 0.01 -0.10 0.01 0.01 -0.10 0.01 0.01 0.05 0.13 0.04 -0.15 0.05 0.16 -0.12 -0.03 -0.09 -0.02 -0.14 0.07 0.03 0.14 0.09 -0.05 0.23 0.03 0.03 0.12 -0.11 -0.02 -0.15 0.07 0.11 -0.13 -0.02 0.10 0.01 -0.04 -0.08 0.12 0.05 -0.04 -0.03 -0.01 0.01 0.01 0.05 -0.02 -0.03 -0.03 0.18 0.12 -0.00 0.01 -0.00 -0.01 0.07 0.01 0.07 -0.05 0.06 0.02 -0.03 -0.03 -0.03 -0.09 -0.02 -0.01 0.01 0.00 0.05 -0.02 -0.03 -0.02 0.10 0.05 0.03 -0.07 0.03 -0.01 0.01 0.00 -0.03 -0.08 -0.01 -0.02 -0.18 0.03 -0.00 0.01 0.01 -0.07 0.04 0.02 0.03 0.06 -0.09 0.01 0.00 0.09 -0.00 0.01 0.01 -0.00 0.01 0.01 0.08 -0.01 -0.06 -0.07 0.01 0.00 -0.07 0.09 -0.16 0.03 -0.05 -0.04 -0.06 -0.17 0.02 -0.08 -0.09 -0.10 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.05 -0.15 0.03 0.07 0.02 -0.04 0.10 -0.07 0.15 -0.10 -0.05 -0.02 -0.02 -0.05 -0.02 -0.06 -0.30 0.21 0.06 -0.32 -0.11 -0.00 0.01 0.01 -0.08 0.14 -0.12 -0.10 0.14 0.18 0.03 0.12 -0.17 -0.02 -0.01 0.16 -0.00 0.01 0.01 -0.00 0.01 0.01 0.12 -0.03 -0.11 -0.06 -0.08 0.11 -0.07 0.08 -0.19 -0.07 0.17 -0.26 -0.14 -0.08 -0.10 0.03 0.02 0.05 -0.01 -0.00 0.00 0.04 -0.07 -0.03 0.05 -0.02 -0.01 0.05 -0.01 0.04 -0.01 0.03 -0.03 0.02 -0.01 -0.03 0.04 -0.03 -0.02 0.05 0.03 0.01 -0.05 -0.03 -0.04 0.05 -0.04 -0.00 -0.01 -0.07 0.01 0.02 0.04 -0.00 -0.06 -0.08 0.01 -0.06 0.01 0.03 0.00 0.04 -0.03 -0.09 0.25 0.01 -0.01 -0.02 -0.01 0.05 0.02 0.02 -0.00 0.00 0.02 0.02 -0.01 0.07 -0.04 0.00 -0.05 -0.05 0.09 0.00 0.12 -0.03 0.06 0.02 0.04 -0.02 0.06 0.00 -0.05 0.09 -0.06 -0.00 0.06 0.06 0.02 0.08 0.01 0.02 0.04 -0.06 0.02 -0.05 -0.12 0.07 -0.08 -0.04 -0.04 -0.02 -0.04 0.07 -0.03 -0.19 0.03 0.01 -0.05 0.18 -0.10 -0.08 -0.10 -0.01 0.05 -0.07 -0.04 0.40 -0.15 -0.18 0.38 0.20 -0.02 -0.04 -0.00 0.09 0.03 0.04 -0.02 -0.01 0.01 0.02 -0.03 0.12 -0.09 0.00 -0.09 -0.15 0.03 -0.03 0.15 -0.19 0.07 0.24 0.03 0.10 0.04 -0.05 0.04 -0.03 0.02 -0.04 -0.02 -0.01 0.01 -0.00 0.14 0.03 -0.02 -0.01 -0.02 -0.04 0.04 -0.09 0.01 0.01 -0.03 0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.05 0.00 -0.00 0.01 -0.02 0.01 -0.02 0.06 -0.02 0.01 -0.02 -0.00 -0.04 0.02 -0.01 -0.02 -0.08 0.05 -0.02 -0.10 -0.05 -0.01 0.00 0.03 0.02 0.02 -0.09 0.06 0.07 0.05 -0.07 0.01 -0.13 0.02 -0.01 0.03 0.00 0.00 -0.01 0.09 0.05 0.08 0.01 0.05 -0.09 0.04 -0.12 0.23 0.00 -0.04 0.01 0.02 -0.01 -0.00 0.02 -0.02 0.00 -0.06 -0.03 0.01 -0.08 0.02 0.01 0.01 -0.03 0.00 0.01 -0.03 0.00 0.00 -0.02 -0.00 0.03 -0.04 0.11 -0.09 -0.12 0.10 -0.06 -0.16 0.02 -0.05 -0.17 -0.15 -0.00 -0.01 0.06 0.01 0.04 -0.13 0.06 0.06 -0.03 0.10 0.09 0.10 -0.13 -0.01 -0.19 0.05 -0.02 0.05 0.01 0.01 -0.03 0.16 0.05 0.17 -0.00 0.19 -0.28 0.05 -0.11 0.29 0.06 -0.25 0.42 -0.01 0.02 -0.05 0.04 0.02 -0.01 0.08 0.12 0.03 -0.08 -0.07 -0.06 -0.04 0.09 -0.03 0.00 0.03 0.07 -0.03 -0.03 -0.02 -0.04 0.07 -0.06 -0.02 -0.06 -0.02 0.05 0.06 -0.09 0.01 0.08 -0.04 -0.04 0.02 -0.01 -0.03 -0.09 0.23 0.05 0.01 -0.06 -0.01 -0.02 0.09 -0.01 -0.07 0.06 0.02 -0.02 -0.09 0.06 -0.09 0.03 0.01 0.03 0.04 -0.03 -0.01 0.03 -0.02 -0.04 -0.05 -0.01 -0.02 0.00 -0.01 -0.01 -0.02 0.04 0.01 -0.05 0.01 -0.01 0.03 -0.05 0.08 -0.06 -0.00 -0.13 -0.04 0.01 -0.12 -0.09 0.06 0.12 -0.15 0.11 0.02 -0.09 0.02 -0.27 0.28 -0.07 -0.02 0.29 -0.07 -0.02 0.33 -0.01 0.06 0.17 -0.02 -0.12 0.12 -0.05 -0.08 0.05 -0.00 -0.08 0.05 0.02 -0.03 -0.14 0.05 -0.15 0.10 0.16 -0.13 -0.00 0.03 0.05 0.05 -0.05 -0.01 0.04 -0.05 -0.06 -0.06 -0.02 -0.02 0.05 0.00 -0.02 -0.06 0.04 0.12 -0.18 -0.01 0.07 -0.03 0.01 -0.11 0.16 -0.12 -0.06 -0.01 0.02 -0.00 0.02 -0.05 -0.01 0.05 0.07 0.07 0.01 0.03 -0.02 0.02 0.02 0.02 -0.07 0.05 0.05 -0.02 -0.01 -0.02 -0.01 -0.11 -0.08 -0.02 0.03 -0.01 0.02 -0.06 -0.04 0.01 0.04 0.02 -0.01 -0.03 -0.05 0.03 0.03 -0.01 0.02 -0.00 -0.03 0.04 -0.01 0.14 0.01 0.01 -0.01 -0.00 0.02 -0.06 0.02 0.03 0.03 -0.05 0.04 0.04 -0.05 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.05 0.04 -0.02 0.01 -0.03 0.01 -0.00 -0.01 -0.02 0.02 0.01 -0.06 -0.17 -0.20 0.07 -0.21 -0.07 -0.15 0.03 -0.01 0.01 0.03 -0.01 0.02 -0.31 -0.23 0.01 0.12 0.13 -0.22 0.13 -0.03 0.36 0.07 -0.03 0.07 0.01 -0.11 0.05 0.07 0.27 -0.17 -0.12 0.28 0.16 0.01 -0.01 -0.02 0.03 -0.14 0.15 0.04 -0.14 -0.12 0.02 0.03 -0.06 0.04 0.04 -0.05 -0.03 0.02 -0.03 -0.01 0.02 0.01 0.05 0.05 0.01 0.01 -0.02 -0.00 -0.01 0.01 -0.04 -0.01 -0.02 -0.01 -0.10 -0.08 -0.06 -0.01 0.03 -0.01 -0.01 -0.03 0.01 -0.04 0.07 0.06 0.00 -0.04 -0.05 -0.02 0.06 0.07 -0.02 -0.05 0.00 0.01 -0.03 -0.02 0.12 0.03 -0.01 -0.00 0.02 -0.02 -0.04 -0.05 -0.02 -0.03 0.04 0.03 0.04 -0.01 -0.04 -0.02 0.05 -0.04 0.02 -0.05 0.01 0.01 0.08 0.01 -0.01 0.03 -0.03 0.04 -0.08 0.02 0.03 0.06 0.01 -0.05 -0.00 0.05 0.01 -0.02 0.02 0.01 -0.02 0.03 0.03 -0.01 -0.02 0.03 -0.03 0.01 -0.01 0.00 -0.03 -0.02 -0.00 0.03 0.18 0.13 -0.10 0.21 0.01 0.12 0.00 0.03 0.00 0.02 0.02 0.01 0.36 0.18 -0.01 -0.14 -0.20 0.26 -0.15 -0.03 -0.40 0.07 -0.05 0.04 0.05 -0.13 0.02 0.08 0.19 -0.13 -0.07 0.20 0.14 -0.02 0.03 -0.04 0.03 -0.15 0.13 0.07 -0.15 -0.10 0.05 0.11 0.01 -0.09 -0.02 0.08 0.02 -0.05 0.05 0.03 -0.04 0.06 0.06 -0.03 -0.07 0.04 -0.01 -0.00 -0.02 0.05 -0.06 -0.02 -0.02 -0.02 0.02 0.02 0.01 0.02 0.12 0.01 0.03 0.02 0.02 -0.09 0.14 0.22 0.03 -0.05 -0.06 0.02 -0.20 -0.17 0.02 0.10 0.04 -0.02 0.01 -0.03 -0.00 -0.00 -0.02 0.05 0.05 -0.03 -0.00 0.02 0.00 0.01 -0.07 -0.00 -0.01 -0.02 0.07 0.04 0.11 -0.08 0.00 0.01 0.01 0.00 0.00 -0.01 0.03 0.03 -0.08 0.01 -0.03 -0.01 -0.12 -0.21 -0.06 0.11 -0.02 -0.09 -0.00 -0.04 0.03 -0.00 0.01 0.09 -0.13 -0.02 0.06 0.01 -0.02 -0.00 -0.02 -0.00 -0.00 -0.02 0.02 -0.04 0.01 -0.02 -0.04 0.02 -0.02 -0.02 0.04 0.02 -0.02 0.03 0.07 0.03 0.26 0.03 0.12 -0.15 -0.06 0.31 -0.12 -0.02 -0.12 0.01 0.02 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.03 0.00 0.01 0.00 0.04 0.00 -0.14 0.01 -0.04 0.01 0.02 -0.04 -0.03 -0.20 -0.35 -0.06 0.24 0.02 -0.14 -0.02 -0.13 0.07 -0.02 -0.01 0.17 -0.23 0.04 0.15 0.02 -0.01 0.00 -0.02 0.02 0.01 -0.04 -0.02 -0.01 -0.05 0.05 -0.09 -0.03 -0.05 -0.02 0.04 -0.01 -0.07 0.01 0.03 0.05 0.02 0.00 0.02 0.03 -0.03 -0.01 0.00 0.02 -0.02 0.02 0.01 0.01 0.01 0.01 0.01 -0.02 -0.02 0.02 0.00 0.02 -0.05 0.02 -0.00 0.02 0.00 0.01 -0.04 -0.05 -0.03 0.02 -0.03 0.05 -0.05 -0.02 -0.02 0.16 -0.03 0.01 0.04 0.00 -0.06 0.15 0.01 -0.03 0.02 0.03 0.00 -0.03 0.02 0.02 0.01 0.02 -0.02 -0.03 -0.01 0.01 0.01 -0.04 0.07 -0.09 0.06 -0.03 -0.01 0.01 0.03 0.02 0.01 0.02 0.02 0.01 0.01 0.01 -0.02 -0.02 0.06 -0.03 -0.03 -0.01 -0.05 0.02 -0.05 0.03 -0.00 -0.08 0.02 0.00 -0.02 -0.19 0.03 -0.13 0.12 0.11 -0.14 -0.02 -0.03 0.16 0.08 -0.03 0.18 -0.05 0.03 0.08 0.00 -0.14 0.25 0.15 -0.12 0.10 0.00 -0.05 0.04 0.05 0.01 -0.03 0.05 0.05 0.01 0.04 -0.03 -0.06 -0.03 0.02 0.03 -0.15 0.24 -0.44 0.01 0.05 -0.29 0.19 -0.17 0.31 -0.00 0.01 -0.00 0.12 0.05 0.13 0.02 -0.05 -0.01 0.05 0.00 -0.08 -0.06 0.01 0.06 -0.11 0.02 -0.10 -0.01 -0.03 0.05 -0.05 -0.04 0.01 -0.06 -0.03 0.00 0.06 -0.01 0.03 -0.01 -0.03 -0.00 -0.04 0.01 -0.02 0.03 0.02 -0.04 0.19 -0.02 0.07 -0.01 0.02 -0.04 -0.00 -0.02 0.05 0.11 -0.07 -0.02 -0.01 -0.01 0.05 -0.05 0.04 -0.07 -0.10 -0.01 -0.02 -0.07 0.01 -0.05 -0.06 0.08 0.05 0.02 0.00 0.02 -0.02 0.03 -0.03 0.02 -0.01 0.00 -0.04 -0.04 -0.02 -0.06 -0.07 0.00 -0.11 0.02 0.01 0.02 -0.10 -0.10 -0.01 0.04 0.08 0.36 0.24 -0.01 -0.14 -0.03 0.24 -0.04 -0.08 -0.39 -0.07 -0.02 -0.10 0.05 0.09 -0.09 -0.00 -0.04 0.07 0.05 -0.04 0.04 0.15 -0.13 -0.10 -0.01 -0.02 0.06 0.04 -0.01 0.05 -0.05 0.07 -0.11 -0.14 -0.03 -0.01 -0.19 0.01 -0.14 -0.14 0.15 0.08 0.09 -0.00 0.07 -0.06 0.09 -0.15 0.01 0.00 -0.09 0.07 -0.06 0.11 -0.02 -0.00 -0.04 -0.03 -0.08 0.01 0.01 0.05 -0.01 0.01 -0.00 0.02 0.01 0.04 0.03 0.04 -0.01 -0.00 0.02 0.03 -0.02 -0.03 0.02 -0.04 -0.11 -0.04 -0.04 -0.01 -0.02 0.03 -0.01 0.03 -0.04 0.03 0.00 0.01 0.01 0.02 0.02 -0.05 -0.07 0.07 0.00 -0.02 0.03 0.00 -0.01 -0.02 -0.03 -0.01 0.08 0.02 0.00 -0.03 0.03 -0.01 0.00 0.05 0.02 -0.02 0.01 0.05 0.00 0.01 0.00 -0.05 0.01 0.02 -0.01 0.03 -0.02 0.02 -0.01 0.01 0.01 0.01 0.03 -0.10 -0.14 -0.15 0.00 -0.19 -0.01 -0.12 0.01 0.04 0.05 0.03 -0.05 -0.04 0.48 0.21 0.09 -0.24 -0.02 0.43 -0.11 -0.08 -0.38 0.04 0.03 0.09 -0.03 -0.09 0.06 -0.01 -0.02 -0.02 -0.02 -0.02 -0.04 -0.04 0.02 0.14 0.02 0.01 -0.05 -0.00 0.01 -0.02 0.02 -0.03 0.01 0.07 0.02 -0.03 0.03 0.12 -0.02 0.03 0.01 -0.12 -0.01 0.02 -0.01 0.06 -0.05 0.10 0.00 0.00 0.08 -0.05 0.03 -0.07 0.10 0.03 0.17 -0.03 0.04 -0.07 -0.02 -0.06 0.07 0.03 -0.04 -0.04 0.03 -0.07 -0.05 0.04 0.04 0.05 0.02 0.01 -0.03 -0.02 -0.05 -0.02 -0.11 -0.07 -0.04 0.01 0.01 -0.02 0.01 -0.05 0.10 0.02 -0.02 -0.02 0.01 -0.03 0.04 -0.05 0.07 -0.10 -0.00 0.07 -0.04 -0.01 0.05 0.03 -0.03 0.04 -0.07 -0.07 0.02 0.06 0.05 0.05 0.02 0.03 0.03 0.02 0.03 -0.05 0.02 0.02 -0.04 0.01 0.03 0.02 -0.04 -0.09 0.03 -0.04 0.00 -0.03 -0.02 0.03 -0.09 -0.09 -0.15 -0.20 0.02 -0.20 -0.05 -0.14 0.02 0.05 0.02 0.04 -0.00 0.02 0.33 0.07 0.09 -0.15 -0.00 0.31 -0.04 -0.10 -0.20 -0.07 -0.05 -0.19 0.02 0.28 -0.11 0.02 0.07 0.03 0.02 0.07 0.08 -0.03 0.04 -0.08 -0.07 0.01 0.07 -0.05 0.01 0.04 0.07 0.07 0.02 0.02 0.03 0.04 0.07 -0.12 0.09 0.04 -0.08 0.05 0.03 0.01 -0.07 -0.17 0.09 -0.20 -0.01 -0.04 -0.17 0.10 -0.07 0.13 0.13 0.04 0.04 0.01 -0.02 0.03 0.03 0.05 -0.04 -0.05 -0.00 -0.01 -0.01 0.05 -0.01 -0.00 -0.02 -0.01 -0.01 -0.00 0.01 0.04 -0.01 -0.05 0.08 -0.09 -0.04 -0.01 0.02 -0.01 0.06 0.05 -0.03 -0.01 0.01 -0.01 0.08 -0.12 -0.10 0.01 -0.03 0.04 0.01 -0.02 0.16 -0.04 0.13 0.01 0.01 -0.02 0.05 -0.10 0.04 0.03 -0.02 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 0.03 -0.00 -0.01 0.02 -0.02 -0.02 -0.01 0.02 -0.13 -0.01 -0.03 -0.05 -0.05 -0.03 0.02 -0.02 -0.02 0.09 -0.08 -0.06 0.10 -0.10 -0.05 -0.01 0.01 -0.02 -0.01 0.01 -0.04 0.04 -0.05 -0.13 0.09 -0.16 -0.14 0.07 -0.13 -0.14 0.17 0.10 0.34 -0.14 -0.20 0.28 0.09 0.26 -0.12 -0.19 0.27 0.12 0.01 -0.02 0.06 -0.09 0.01 0.08 -0.13 -0.01 -0.05 -0.02 -0.04 0.01 0.00 -0.01 -0.01 -0.02 0.06 -0.03 -0.02 0.05 -0.05 -0.02 -0.01 0.03 -0.20 0.02 -0.14 -0.06 -0.07 -0.14 0.03 -0.07 0.07 -0.01 0.14 -0.07 -0.04 0.04 -0.10 0.08 -0.01 -0.11 0.30 0.03 0.00 0.08 -0.09 0.05 -0.10 0.01 -0.01 -0.06 -0.08 0.07 -0.00 0.00 0.04 -0.06 -0.03 0.03 0.05 -0.05 0.04 -0.00 0.07 -0.05 0.07 -0.03 0.06 -0.01 0.00 -0.01 -0.04 0.06 -0.09 -0.05 0.08 0.17 -0.07 0.01 0.01 -0.05 0.04 -0.10 0.02 0.01 -0.03 -0.07 0.01 -0.01 -0.12 -0.05 0.04 0.03 -0.06 0.01 0.03 -0.06 0.01 -0.02 -0.05 0.04 0.03 -0.02 0.00 -0.02 0.00 0.01 0.02 0.05 0.01 -0.09 -0.08 0.08 -0.12 -0.01 -0.03 0.07 -0.02 0.11 0.06 -0.04 0.07 0.03 0.07 -0.02 -0.02 0.01 0.01 0.01 -0.05 -0.08 0.03 0.27 0.39 -0.18 -0.18 0.30 -0.17 -0.04 0.03 -0.08 -0.04 -0.05 -0.05 0.04 -0.11 0.05 0.02 -0.01 0.01 0.01 -0.02 -0.07 0.04 -0.03 -0.18 -0.07 0.07 0.08 -0.14 0.09 0.06 -0.11 0.06 0.04 -0.06 0.05 0.07 -0.06 0.09 -0.01 0.01 0.11 -0.09 0.02 -0.07 0.03 -0.05 0.05 -0.03 -0.05 0.02 -0.09 0.19 0.14 0.15 0.05 0.00 0.07 -0.04 -0.04 -0.10 -0.01 -0.04 -0.06 -0.07 0.07 0.00 0.03 -0.13 0.07 -0.00 -0.13 0.11 0.04 -0.01 -0.03 0.03 -0.01 0.03 -0.01 0.01 0.02 -0.05 0.01 -0.06 -0.04 0.05 0.03 -0.00 -0.13 0.05 -0.01 -0.01 -0.03 0.01 0.09 -0.01 -0.00 0.01 -0.09 -0.02 -0.02 -0.12 -0.06 0.02 0.02 0.05 0.03 0.01 0.01 -0.03 -0.04 -0.05 0.05 -0.01 0.02 -0.00 0.02 0.00 -0.00 0.02 0.06 -0.16 0.12 0.01 -0.21 0.14 -0.04 -0.10 0.17 0.28 0.04 0.30 -0.10 -0.10 -0.00 -0.21 0.05 0.02 -0.03 0.02 -0.02 0.04 0.13 -0.06 -0.14 -0.29 0.12 0.19 -0.22 0.08 -0.00 -0.00 0.08 -0.00 0.01 -0.05 0.05 0.15 -0.03 -0.01 -0.00 -0.00 -0.00 0.01 -0.10 -0.01 -0.04 -0.16 -0.07 0.04 0.04 0.11 0.02 0.03 0.02 -0.09 0.01 -0.06 0.07 -0.03 0.04 -0.05 0.01 -0.01 -0.06 0.06 -0.00 0.04 0.08 -0.08 -0.02 -0.01 -0.01 0.01 0.07 -0.11 -0.09 0.03 0.01 -0.00 0.02 -0.02 -0.02 -0.02 0.00 -0.01 -0.01 -0.02 0.02 0.00 0.01 -0.02 -0.05 0.17 -0.04 0.03 0.01 -0.01 0.06 -0.05 -0.03 0.01 -0.00 -0.00 -0.10 0.18 0.16 -0.01 -0.01 0.02 0.09 -0.12 0.03 0.05 0.04 -0.02 -0.00 0.00 0.03 -0.07 0.02 0.03 -0.02 -0.00 -0.01 -0.03 -0.01 0.00 0.00 0.02 0.01 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.10 0.00 -0.02 -0.03 -0.04 -0.03 0.03 -0.03 -0.07 -0.03 0.21 -0.06 -0.00 0.16 0.02 0.05 0.09 0.01 0.10 -0.03 -0.03 -0.04 -0.04 0.22 -0.14 0.27 0.23 -0.14 0.27 0.29 0.19 -0.07 0.11 0.02 -0.21 0.08 0.20 0.14 -0.08 -0.05 0.14 0.07 -0.01 0.01 0.05 -0.10 0.01 0.02 -0.10 -0.00 -0.01 -0.02 0.00 -0.01 -0.04 -0.02 0.01 0.01 0.04 0.00 0.01 0.01 -0.03 0.01 -0.01 0.02 -0.17 0.04 -0.14 -0.04 -0.05 -0.16 0.05 -0.06 0.09 0.03 -0.10 -0.05 0.01 0.04 -0.06 -0.09 0.15 0.02 0.07 0.01 -0.01 -0.00 0.13 0.10 0.01 -0.02 0.02 -0.03 -0.02 0.01 0.10 0.05 0.07 -0.05 -0.02 0.07 -0.13 -0.03 0.03 0.08 0.05 -0.02 0.03 0.04 0.03 -0.01 0.01 -0.01 0.03 0.03 -0.05 0.07 -0.11 -0.08 0.07 0.00 -0.03 -0.00 -0.00 -0.10 -0.04 -0.00 0.02 -0.02 -0.03 0.04 -0.00 -0.03 0.02 -0.00 -0.07 -0.02 -0.00 -0.03 0.01 -0.03 -0.03 0.03 -0.05 0.02 0.01 0.01 -0.01 -0.01 0.10 0.01 0.07 -0.14 -0.09 0.21 -0.16 -0.00 -0.06 -0.21 -0.39 0.05 -0.44 0.16 0.05 0.04 0.13 -0.03 -0.03 -0.01 0.03 -0.00 -0.05 -0.12 0.08 -0.14 -0.09 0.10 -0.10 -0.09 0.20 0.07 -0.07 0.02 0.07 0.04 0.01 -0.02 -0.15 -0.08 -0.02 0.00 -0.04 -0.02 -0.01 -0.02 -0.06 0.06 -0.00 -0.03 0.02 -0.00 -0.12 0.01 -0.01 -0.05 0.06 -0.03 -0.03 0.03 -0.09 0.04 -0.07 0.00 -0.04 -0.12 0.08 -0.01 0.06 -0.01 -0.04 0.01 -0.04 -0.01 -0.05 -0.00 -0.05 -0.01 -0.03 -0.01 -0.02 -0.05 0.13 0.09 -0.02 -0.01 -0.04 0.00 0.01 0.02 0.02 0.02 0.09 -0.02 -0.04 0.12 0.16 0.09 -0.04 0.02 -0.02 0.03 -0.02 0.03 0.02 0.01 -0.01 -0.04 -0.04 -0.00 -0.01 0.01 -0.05 -0.02 0.01 -0.00 -0.01 -0.04 0.02 -0.02 -0.01 -0.01 0.00 -0.03 -0.01 -0.04 -0.01 -0.01 -0.03 0.03 -0.01 0.00 0.03 -0.03 -0.02 -0.01 0.00 0.01 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 0.02 0.11 -0.05 -0.05 0.17 -0.07 -0.02 0.07 0.26 0.54 -0.10 0.54 -0.15 -0.12 -0.02 0.16 -0.08 0.04 -0.07 -0.08 0.05 -0.09 -0.14 0.01 -0.07 -0.03 0.01 -0.03 -0.02 0.04 0.02 -0.03 -0.02 0.02 0.01 -0.06 0.05 -0.01 -0.03 -0.02 0.01 0.01 -0.02 -0.01 -0.04 -0.03 -0.06 -0.01 -0.01 -0.04 0.07 -0.02 0.04 0.06 -0.06 -0.02 -0.00 0.01 0.03 -0.01 0.01 0.01 0.02 -0.02 -0.02 0.04 0.02 0.00 0.03 0.00 0.02 0.00 -0.00 0.01 0.02 -0.02 -0.03 -0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.02 0.00 -0.01 0.00 0.01 -0.02 -0.01 0.00 -0.01 0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.11 -0.04 -0.01 -0.10 -0.03 -0.06 0.00 -0.00 0.01 -0.04 -0.09 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.12 0.12 0.18 0.07 0.01 0.03 -0.03 -0.03 -0.01 0.00 -0.02 -0.00 0.00 -0.03 -0.02 -0.04 0.00 -0.04 0.02 -0.01 0.02 -0.03 0.02 -0.01 0.02 0.03 -0.01 0.02 0.02 -0.12 -0.02 -0.00 -0.16 0.00 0.00 -0.08 0.04 -0.17 -0.18 0.05 0.00 0.00 -0.00 0.01 -0.21 -0.32 0.14 0.18 -0.24 -0.22 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.03 0.25 0.23 -0.25 -0.05 0.41 0.31 -0.06 -0.01 -0.03 0.07 0.01 -0.02 0.01 0.02 -0.14 -0.04 0.10 0.13 -0.08 -0.02 0.17 -0.00 0.04 -0.04 0.03 -0.05 -0.04 0.00 0.06 0.02 -0.05 0.01 0.01 -0.10 -0.07 0.09 -0.08 0.05 -0.05 0.06 0.02 0.10 -0.05 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.13 -0.03 -0.01 -0.12 0.04 0.09 0.01 -0.02 0.02 0.06 0.04 0.01 -0.02 -0.09 0.10 0.04 -0.06 0.06 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.08 -0.07 0.03 0.11 -0.04 -0.05 -0.03 0.00 0.02 0.09 -0.07 -0.10 0.00 -0.01 -0.08 0.02 -0.01 -0.12 -0.09 -0.00 -0.09 -0.14 0.12 -0.13 0.07 -0.09 0.03 -0.02 0.03 0.06 -0.02 0.03 0.03 -0.27 -0.12 -0.16 -0.01 0.15 -0.12 -0.05 0.13 -0.01 -0.23 0.12 0.14 0.01 -0.02 0.01 0.20 0.12 0.02 0.05 0.10 0.09 -0.02 -0.16 0.19 0.07 -0.05 0.09 -0.02 0.02 -0.03 -0.01 0.01 -0.02 -0.13 -0.06 0.01 0.16 -0.08 0.07 -0.03 0.11 0.24 -0.22 -0.04 -0.11 0.04 -0.02 -0.02 -0.00 0.00 0.01 -0.04 0.05 -0.06 -0.14 -0.10 0.04 0.12 -0.08 -0.06 -0.05 0.03 -0.02 0.00 -0.01 0.03 0.20 0.01 0.04 -0.03 0.01 0.01 0.04 -0.03 0.02 0.16 0.05 0.03 0.03 -0.03 -0.00 -0.02 0.01 0.03 -0.01 -0.00 0.00 -0.11 -0.06 -0.03 -0.11 0.05 0.08 0.00 0.01 0.01 0.05 0.04 0.01 -0.05 0.06 -0.09 -0.09 0.01 -0.05 0.00 0.01 0.01 -0.00 0.01 0.00 0.04 0.02 0.02 0.09 -0.03 -0.05 -0.02 0.00 0.02 0.21 -0.10 0.01 -0.16 -0.09 0.22 -0.16 0.00 -0.20 0.04 -0.05 0.09 0.01 -0.02 0.00 0.04 0.01 0.04 -0.06 0.01 0.09 -0.05 0.02 -0.01 -0.26 -0.09 -0.13 -0.00 0.06 -0.12 0.02 0.17 -0.05 -0.26 0.16 0.17 -0.00 0.01 0.03 0.17 0.11 0.03 0.05 0.09 0.08 -0.06 0.09 -0.16 -0.15 -0.01 -0.10 0.00 0.01 0.01 -0.00 0.02 -0.01 0.10 0.02 0.06 0.13 -0.07 0.06 -0.01 0.08 0.22 -0.18 -0.04 -0.10 0.08 -0.03 0.05 -0.02 0.03 -0.08 0.05 -0.00 0.00 0.02 -0.12 0.09 -0.05 0.11 0.20 -0.02 0.00 -0.01 0.05 0.04 -0.00 -0.14 -0.01 -0.10 0.05 0.03 -0.13 -0.01 -0.03 0.11 -0.06 -0.02 -0.07 -0.00 -0.03 0.17 0.02 0.00 -0.01 0.02 -0.00 0.02 -0.06 -0.07 -0.03 -0.07 0.02 0.05 -0.04 0.02 -0.08 0.02 0.03 0.01 0.00 0.03 -0.10 -0.01 0.03 -0.08 0.01 -0.05 -0.01 0.01 -0.04 -0.01 0.06 0.05 -0.00 0.04 -0.00 -0.03 -0.00 0.00 0.01 -0.10 0.06 -0.15 0.21 0.17 -0.37 0.24 0.02 0.14 -0.03 -0.14 0.08 -0.12 0.03 0.10 0.03 -0.15 0.02 0.01 0.06 0.00 0.00 0.07 0.10 -0.17 -0.12 -0.13 -0.00 0.10 -0.10 0.05 0.12 -0.06 -0.19 0.12 0.12 -0.04 0.02 -0.13 0.07 0.05 0.02 0.04 0.05 0.05 -0.01 0.06 -0.16 -0.02 0.03 -0.15 0.05 -0.10 0.05 0.02 -0.07 0.03 0.08 0.06 0.04 0.06 -0.05 0.05 0.01 0.01 0.14 -0.08 0.00 -0.07 0.14 -0.03 -0.01 0.01 0.01 0.02 0.04 0.13 -0.02 0.06 0.07 -0.03 -0.09 -0.14 -0.04 0.00 -0.01 -0.01 0.01 0.01 -0.03 -0.15 -0.04 0.04 -0.04 -0.02 0.16 0.02 -0.04 -0.00 -0.03 0.05 -0.12 -0.06 -0.05 -0.06 -0.02 0.02 0.01 -0.00 0.01 -0.01 -0.06 -0.14 -0.06 -0.07 0.01 0.05 0.01 0.00 0.01 0.02 0.03 0.01 0.07 -0.00 0.09 0.06 0.02 0.06 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.05 0.04 -0.00 -0.03 -0.00 0.00 0.01 -0.22 0.04 0.14 0.02 0.03 0.07 -0.01 0.01 0.25 0.05 0.13 -0.06 0.18 -0.11 0.07 -0.11 0.19 -0.05 0.04 -0.01 -0.09 0.05 -0.06 -0.05 -0.21 -0.16 -0.15 0.01 0.04 -0.14 0.15 0.20 -0.13 -0.27 0.19 0.20 0.02 -0.01 0.03 0.07 0.06 0.01 0.05 0.05 0.07 0.09 0.01 0.14 0.12 0.04 0.13 -0.01 0.01 -0.00 -0.01 0.02 0.00 -0.07 -0.01 -0.12 0.07 -0.05 0.06 0.01 0.01 0.16 -0.09 0.01 -0.08 0.00 -0.01 0.02 0.07 -0.10 0.11 0.02 -0.01 -0.00 0.01 -0.00 0.01 0.02 0.01 -0.02 0.02 0.01 0.03 -0.00 -0.00 -0.00 -0.02 0.03 0.00 -0.00 -0.01 0.03 -0.02 0.01 -0.03 -0.04 -0.00 -0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.06 0.09 -0.09 -0.00 0.00 -0.00 -0.02 -0.00 -0.03 -0.01 -0.00 -0.01 0.10 -0.16 0.17 -0.10 0.16 -0.16 0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.09 0.03 -0.01 -0.03 0.05 -0.02 -0.01 -0.01 -0.02 -0.02 0.01 -0.05 0.03 -0.05 -0.03 0.05 -0.02 0.01 -0.03 -0.03 0.01 -0.02 -0.03 0.00 -0.02 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.16 0.25 -0.26 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.03 -0.01 -0.05 -0.04 -0.01 -0.06 0.14 -0.22 0.23 -0.29 0.45 -0.46 0.03 0.00 0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.02 -0.07 -0.03 0.05 -0.03 -0.08 0.04 0.00 -0.05 0.04 -0.06 -0.07 -0.02 0.09 -0.05 -0.03 -0.12 0.01 0.01 0.01 0.06 -0.11 -0.01 0.01 0.02 -0.12 0.08 -0.14 0.10 0.15 0.01 0.07 -0.06 0.04 -0.04 0.00 0.01 0.00 0.06 -0.10 0.09 -0.01 0.04 0.01 -0.01 0.01 -0.00 -0.06 0.11 -0.10 0.00 -0.00 0.00 0.08 0.01 0.14 0.05 0.01 0.06 0.04 -0.06 0.08 -0.02 0.03 -0.01 -0.05 -0.01 -0.08 0.00 -0.00 0.01 0.00 0.00 -0.00 0.11 -0.33 -0.11 0.04 0.11 -0.17 0.08 0.03 0.02 0.10 0.01 -0.02 0.20 -0.21 0.10 0.10 -0.18 0.07 -0.05 0.11 0.10 -0.03 0.09 0.11 0.01 0.10 0.08 -0.03 -0.06 0.05 -0.05 -0.03 0.03 0.03 -0.03 -0.03 -0.12 0.21 -0.18 0.01 -0.01 0.02 -0.01 -0.01 -0.01 0.11 0.00 0.21 0.13 0.04 0.19 0.10 -0.16 0.18 -0.03 0.05 -0.03 -0.12 -0.03 -0.20 0.00 0.01 -0.01 -0.01 0.02 -0.03 0.00 -0.01 0.02 -0.01 0.00 -0.03 0.09 -0.13 0.05 -0.03 0.01 -0.00 0.02 -0.07 0.08 -0.01 -0.00 0.04 -0.11 -0.03 -0.16 0.06 0.03 0.09 0.02 -0.04 0.00 0.00 0.00 -0.02 -0.06 0.22 0.06 0.07 0.00 0.03 -0.01 -0.07 0.07 0.00 0.00 0.00 -0.09 0.19 -0.12 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.02 -0.13 0.04 0.00 0.00 0.00 0.10 0.06 0.13 -0.02 0.03 0.01 0.00 -0.06 -0.08 -0.01 -0.01 -0.09 -0.04 0.00 -0.15 0.01 -0.01 0.01 0.00 0.00 -0.00 0.04 -0.14 -0.04 0.02 0.05 -0.04 0.03 0.01 0.03 -0.04 0.26 0.18 -0.02 0.21 0.15 0.02 -0.04 0.02 -0.01 0.03 0.02 0.00 0.02 0.03 0.01 0.04 0.03 -0.02 -0.03 0.02 -0.02 -0.01 0.01 0.01 -0.01 -0.02 0.11 -0.27 0.06 0.01 0.01 -0.00 -0.03 0.01 0.00 0.19 0.12 0.24 0.05 0.05 0.13 -0.03 0.05 -0.16 -0.11 0.11 -0.18 -0.14 -0.03 -0.37 0.00 0.02 -0.02 -0.01 0.04 -0.05 0.01 -0.02 0.03 -0.01 0.00 -0.02 0.01 -0.01 0.01 -0.02 0.01 0.01 0.01 0.01 -0.00 -0.02 -0.01 0.00 0.01 0.00 0.02 0.01 0.00 0.00 0.00 -0.03 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.03 -0.01 0.01 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.06 0.03 0.01 0.02 0.01 0.07 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.08 0.07 -0.13 -0.02 -0.04 -0.00 0.01 -0.07 -0.01 0.01 0.02 -0.02 0.01 0.01 0.03 0.00 0.04 -0.00 0.03 -0.00 0.02 0.01 -0.01 0.01 -0.01 0.02 0.01 0.00 0.01 0.01 0.03 0.02 0.00 0.11 0.00 -0.01 0.02 -0.03 0.12 0.08 -0.04 0.03 0.01 -0.02 0.00 -0.06 -0.16 0.18 0.29 -0.10 -0.10 -0.01 -0.01 -0.02 -0.02 -0.01 -0.07 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.04 -0.19 0.25 0.10 -0.41 0.53 -0.08 0.19 -0.35 0.00 -0.03 0.08 -0.05 0.04 -0.02 0.08 -0.06 -0.01 -0.06 -0.03 0.02 0.11 0.05 -0.03 -0.07 -0.00 -0.13 0.04 -0.00 0.12 0.02 0.16 -0.01 0.02 0.00 0.02 0.03 -0.06 -0.03 -0.16 -0.00 -0.05 0.07 -0.01 -0.03 0.00 -0.02 -0.01 0.04 -0.08 0.05 0.03 -0.02 0.01 0.02 -0.01 0.02 -0.02 0.05 -0.01 -0.00 0.00 -0.01 0.06 0.06 0.14 -0.06 -0.01 -0.01 0.00 0.02 0.03 0.01 -0.00 0.03 -0.07 -0.02 -0.13 -0.03 0.02 -0.04 -0.01 -0.01 -0.00 -0.01 0.40 0.06 -0.07 -0.16 0.15 -0.10 -0.02 -0.20 -0.01 -0.26 0.01 -0.16 0.03 -0.10 -0.05 0.06 -0.04 0.02 -0.13 -0.05 -0.03 -0.02 -0.07 0.02 -0.10 -0.07 0.07 0.08 -0.04 0.03 -0.00 0.02 0.03 -0.01 0.02 -0.05 0.11 -0.02 -0.03 -0.05 0.03 0.09 -0.02 -0.02 0.09 0.06 0.20 -0.05 -0.00 0.07 0.02 -0.02 0.07 0.06 -0.06 0.07 -0.15 -0.07 -0.37 -0.01 -0.06 0.08 0.03 -0.14 0.17 -0.02 0.06 -0.11 0.00 0.01 -0.02 -0.01 0.01 0.00 -0.02 0.02 0.00 0.04 0.04 -0.03 -0.04 -0.02 -0.02 0.10 0.03 0.17 0.14 0.05 0.23 -0.02 -0.05 0.01 -0.01 -0.00 0.01 -0.02 -0.02 -0.03 0.04 -0.00 0.01 -0.03 0.04 0.01 -0.00 0.01 0.00 0.01 -0.02 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.04 0.01 -0.09 -0.05 -0.23 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.08 -0.03 -0.13 0.02 -0.01 0.02 0.01 0.00 0.01 -0.02 -0.12 -0.00 0.02 0.05 -0.04 0.03 -0.00 0.08 -0.01 0.02 -0.08 0.04 -0.05 -0.01 0.01 0.00 0.01 -0.00 0.04 0.01 0.02 -0.01 0.01 -0.01 0.03 0.02 -0.03 -0.03 0.01 -0.00 0.01 -0.02 -0.02 0.01 -0.01 -0.01 0.04 -0.01 0.01 0.03 -0.02 -0.05 0.01 0.02 -0.04 -0.05 -0.05 -0.30 -0.12 -0.62 -0.01 0.01 0.00 0.01 -0.00 0.02 -0.25 -0.06 -0.37 0.00 0.05 -0.07 -0.02 0.08 -0.10 0.02 -0.02 0.05 0.03 0.00 0.03 0.06 -0.03 -0.05 0.04 0.01 0.02 -0.14 0.09 -0.15 0.08 -0.07 0.04 0.07 0.03 0.04 -0.02 -0.02 0.03 0.04 0.02 0.00 0.02 0.01 -0.02 0.06 0.04 0.38 -0.13 -0.03 -0.09 0.02 0.16 -0.11 -0.01 0.01 -0.00 -0.02 0.11 0.04 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.07 -0.02 -0.00 -0.00 -0.00 -0.06 -0.04 -0.02 0.01 -0.05 -0.02 0.00 -0.08 -0.08 0.02 -0.06 -0.07 -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.25 0.01 -0.03 -0.07 0.05 -0.06 0.03 -0.11 0.09 0.17 0.45 0.09 0.03 0.43 -0.01 -0.03 0.01 -0.02 -0.03 0.02 -0.06 0.07 0.02 -0.01 -0.01 -0.01 -0.00 0.03 -0.01 0.00 0.01 -0.03 -0.02 0.01 0.02 0.03 -0.19 -0.09 -0.01 0.01 -0.02 -0.00 0.00 0.01 -0.00 -0.08 0.14 -0.07 -0.08 -0.10 0.05 -0.05 -0.07 -0.04 -0.03 -0.02 -0.02 -0.03 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 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.02 -0.00 -0.00 -0.02 0.00 0.00 0.01 0.01 0.00 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.06 -0.01 0.01 0.00 0.01 0.01 -0.05 -0.02 -0.00 -0.00 0.00 0.03 -0.04 0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.00 -0.09 0.00 0.01 0.03 -0.00 -0.01 -0.02 -0.02 0.02 -0.05 -0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.02 -0.03 0.04 -0.01 -0.02 0.07 0.02 -0.01 0.02 -0.00 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 0.01 0.00 -0.00 -0.01 -0.05 0.05 -0.08 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.41 0.11 0.70 -0.08 -0.01 -0.12 0.10 -0.13 0.13 0.13 -0.23 0.22 0.16 0.04 0.26 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 0.01 -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 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.05 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.02 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.03 0.01 0.04 -0.01 -0.00 -0.01 -0.01 0.01 -0.03 -0.05 0.07 -0.09 0.01 0.00 0.03 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 0.01 -0.02 0.05 0.02 -0.01 0.04 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.07 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.23 -0.05 -0.40 0.03 0.01 0.07 0.22 -0.31 0.32 0.26 -0.44 0.45 -0.08 -0.02 -0.15 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 0.05 -0.08 -0.00 -0.00 -0.02 0.01 0.04 0.06 0.01 0.01 -0.03 0.01 0.01 0.03 -0.01 -0.01 -0.01 -0.03 0.00 -0.01 -0.02 -0.01 0.02 -0.06 0.17 0.05 0.04 0.02 0.03 0.05 -0.17 -0.15 -0.00 -0.01 0.01 0.08 -0.08 0.17 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.04 -0.02 -0.01 0.00 0.01 -0.00 0.01 0.04 0.03 -0.04 0.01 0.01 0.02 -0.07 -0.01 0.04 -0.09 0.02 0.02 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.06 -0.04 0.03 0.08 -0.06 0.07 -0.06 0.09 -0.06 0.15 0.06 -0.03 0.15 0.02 0.01 0.06 -0.01 0.01 0.06 -0.02 0.08 -0.08 -0.01 0.01 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.02 0.03 0.01 -0.02 -0.03 -0.22 0.25 -0.40 0.00 -0.01 0.03 0.01 -0.01 -0.03 -0.20 0.02 -0.37 -0.04 0.01 0.04 -0.11 0.22 -0.27 -0.15 0.19 -0.22 -0.03 -0.03 -0.14 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.07 -0.04 -0.01 -0.01 0.01 -0.02 -0.00 0.02 0.04 0.01 -0.03 -0.01 0.01 -0.02 -0.03 -0.01 -0.01 -0.02 0.00 0.01 -0.01 0.05 -0.06 -0.01 0.02 0.00 0.04 -0.03 0.06 -0.03 -0.04 -0.08 -0.09 -0.03 0.07 0.09 -0.01 0.04 0.01 0.03 -0.03 0.04 -0.03 0.03 -0.02 -0.08 0.09 -0.01 -0.01 -0.00 -0.00 0.00 0.07 0.02 0.01 -0.02 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.03 -0.03 0.02 0.00 -0.01 -0.00 0.01 0.00 0.05 -0.04 -0.08 0.12 -0.09 0.06 -0.02 -0.03 0.04 -0.04 -0.01 0.05 -0.04 -0.05 0.03 0.01 -0.02 -0.05 0.01 -0.08 0.09 0.00 0.09 0.04 0.04 -0.07 -0.07 0.02 -0.19 -0.18 0.41 0.07 -0.23 -0.36 -0.07 0.09 -0.10 0.04 -0.17 0.38 0.08 -0.17 -0.34 -0.00 -0.03 -0.01 0.04 0.00 0.02 -0.02 0.04 -0.04 -0.01 0.01 -0.02 -0.03 0.01 -0.01 -0.03 -0.03 -0.04 -0.03 0.14 -0.05 -0.08 -0.08 0.01 0.01 0.07 -0.04 -0.01 0.02 -0.03 -0.02 -0.01 0.04 0.03 -0.05 -0.02 0.01 -0.07 -0.06 -0.02 -0.02 -0.03 0.00 0.01 -0.01 0.03 -0.03 0.00 0.03 0.01 0.01 -0.05 0.11 -0.03 -0.03 -0.04 -0.01 -0.06 0.13 0.15 0.00 0.01 0.00 0.04 -0.06 0.09 0.00 0.01 0.01 0.03 -0.07 0.01 -0.01 -0.01 0.00 -0.00 -0.06 -0.01 0.02 -0.04 0.00 0.03 -0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.02 -0.00 0.00 0.01 0.01 -0.02 0.03 -0.02 0.00 0.01 0.01 -0.01 -0.01 0.06 -0.05 -0.15 0.13 -0.14 0.09 -0.12 -0.05 0.09 -0.03 -0.01 0.08 -0.02 -0.05 -0.03 0.00 -0.01 -0.13 0.01 -0.12 0.11 0.00 -0.08 0.09 0.05 0.00 -0.01 0.02 0.12 0.16 -0.35 -0.08 0.21 0.33 -0.13 0.17 -0.22 -0.02 0.15 -0.31 -0.07 0.15 0.31 -0.00 -0.05 -0.03 0.07 0.01 0.01 -0.03 0.08 -0.09 -0.02 0.01 -0.02 -0.05 0.01 -0.02 0.04 0.03 0.03 0.03 -0.10 0.05 0.06 0.06 -0.01 -0.08 -0.06 0.07 -0.00 0.00 -0.01 0.03 0.00 -0.10 -0.01 -0.04 -0.05 0.06 -0.08 -0.08 -0.01 -0.00 -0.04 -0.00 0.00 0.00 -0.08 0.07 -0.03 -0.08 -0.03 0.04 0.01 0.03 0.02 0.08 0.12 0.08 -0.02 0.17 0.13 -0.01 -0.04 0.01 0.01 -0.01 0.03 0.02 -0.03 0.02 0.02 0.02 -0.00 -0.01 -0.01 0.00 0.01 0.02 -0.02 0.00 -0.03 0.00 0.03 -0.02 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.13 0.10 0.31 -0.23 0.31 -0.23 0.26 -0.01 -0.05 0.07 -0.07 0.07 0.02 0.06 0.19 -0.03 0.05 0.24 -0.07 0.30 -0.31 -0.05 0.01 -0.16 -0.11 0.08 0.11 -0.05 -0.02 -0.06 0.11 0.04 -0.07 -0.11 -0.05 0.05 -0.07 -0.01 -0.05 0.06 0.02 -0.04 -0.11 0.01 -0.05 0.04 0.06 -0.01 0.02 -0.00 0.03 -0.03 -0.00 -0.01 -0.01 -0.04 0.00 0.00 -0.02 -0.00 -0.01 -0.01 -0.00 -0.04 0.00 -0.01 0.01 0.06 0.05 -0.06 -0.02 -0.01 0.01 -0.03 -0.00 0.09 -0.04 -0.01 0.00 0.08 0.06 0.01 0.01 0.02 -0.04 -0.02 -0.02 0.02 0.03 -0.08 -0.02 -0.08 -0.05 0.06 0.03 0.01 -0.04 -0.05 -0.10 -0.06 0.08 0.03 -0.03 -0.04 0.02 0.02 -0.00 -0.00 -0.01 -0.01 0.03 -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.02 0.02 0.01 -0.01 -0.02 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.02 -0.01 0.01 0.01 0.01 -0.01 0.01 0.01 0.00 0.08 -0.03 -0.10 0.08 0.38 -0.16 0.30 -0.19 0.37 0.00 -0.13 0.01 -0.11 0.09 -0.10 0.08 0.17 0.01 -0.01 0.36 -0.01 0.27 -0.23 0.01 -0.01 0.15 0.09 -0.06 -0.09 0.04 0.01 0.06 -0.11 -0.03 0.07 0.11 0.00 0.01 0.04 0.01 0.05 -0.07 -0.02 0.05 0.11 -0.02 -0.01 0.05 -0.01 -0.02 0.07 0.01 0.00 0.02 0.02 -0.01 -0.01 0.02 -0.02 -0.00 0.02 0.00 0.01 0.01 -0.01 0.04 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.03 0.00 0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.05 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.03 -0.04 0.06 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.07 -0.08 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 -0.03 -0.02 0.03 -0.04 0.03 -0.06 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.03 0.01 -0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.03 0.06 -0.02 -0.02 0.03 -0.01 0.01 -0.03 -0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.02 -0.01 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 0.29 -0.46 0.48 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.02 0.09 0.03 0.16 0.21 -0.27 0.29 -0.18 0.26 -0.28 0.02 0.01 0.04 0.00 -0.01 0.01 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 0.01 0.02 0.01 0.03 0.02 0.01 0.03 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.07 -0.02 -0.13 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.03 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.01 0.03 0.02 -0.01 -0.02 -0.00 0.00 -0.01 0.00 0.00 -0.05 0.08 -0.09 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.39 0.13 0.76 -0.05 0.07 -0.08 0.04 -0.06 0.06 0.19 0.05 0.36 0.01 -0.01 0.03 0.01 -0.03 0.03 0.01 -0.02 0.04 0.02 0.12 -0.04 -0.00 -0.00 0.00 -0.04 -0.05 0.04 -0.00 -0.00 -0.01 0.02 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.09 0.08 0.01 -0.00 0.02 -0.02 0.02 -0.00 0.02 0.02 0.01 0.10 0.00 0.02 0.01 0.03 -0.04 0.00 -0.00 0.01 -0.00 -0.07 -0.12 -0.14 0.05 -0.02 -0.09 -0.00 -0.01 0.01 -0.02 0.04 0.14 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.04 -0.00 -0.04 0.03 -0.00 -0.01 -0.06 0.06 -0.04 0.02 -0.07 -0.06 -0.02 0.02 -0.05 0.01 -0.07 0.04 -0.05 0.04 0.02 -0.03 -0.00 -0.02 0.04 -0.12 -0.04 -0.01 -0.03 -0.03 0.17 0.12 0.20 -0.44 -0.36 0.11 0.35 0.02 0.06 0.08 -0.00 -0.05 -0.03 0.03 -0.03 -0.04 -0.07 0.27 0.13 -0.06 0.00 -0.01 -0.01 0.00 0.03 0.01 0.06 -0.01 0.03 -0.03 0.02 -0.03 0.02 0.02 0.00 0.03 -0.07 -0.11 -0.02 0.02 0.17 0.22 -0.19 -0.12 -0.08 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.02 0.01 0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -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 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.04 0.01 0.07 0.03 0.01 0.05 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.07 -0.02 -0.13 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 0.02 -0.01 0.05 0.01 0.03 -0.02 -0.01 -0.00 0.04 0.00 0.02 -0.03 -0.02 0.03 -0.02 0.01 -0.01 0.05 0.01 0.03 -0.03 0.01 0.01 0.00 0.00 -0.02 -0.01 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.18 -0.03 -0.34 -0.15 -0.05 -0.30 0.05 -0.07 0.07 -0.04 0.04 -0.03 0.37 0.11 0.72 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.03 -0.01 0.02 0.04 0.06 0.02 -0.02 0.03 0.01 -0.01 0.02 -0.00 0.01 -0.04 -0.03 0.01 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.12 0.04 0.09 -0.02 0.01 -0.07 -0.10 -0.02 -0.02 -0.09 0.02 -0.04 -0.03 -0.02 0.01 -0.02 -0.05 -0.05 -0.01 -0.01 0.00 -0.02 -0.03 -0.02 0.02 -0.01 -0.03 0.02 -0.01 0.02 -0.00 0.01 0.03 0.00 -0.01 -0.02 -0.01 0.01 -0.02 -0.03 0.03 -0.02 -0.00 -0.01 0.03 0.02 0.01 0.02 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.06 0.11 0.19 -0.10 0.31 0.07 0.14 -0.12 -0.08 -0.02 0.29 -0.04 0.21 -0.20 -0.02 0.27 -0.21 0.05 -0.10 0.37 0.10 0.20 -0.14 0.10 0.04 -0.02 0.01 -0.10 -0.02 0.02 0.08 0.00 0.00 0.04 0.00 -0.01 -0.04 0.08 -0.13 -0.02 -0.01 0.04 0.03 -0.01 0.01 0.07 0.02 0.06 0.06 0.04 0.09 0.09 -0.16 0.17 -0.12 0.11 -0.02 -0.08 -0.01 -0.13 -0.02 -0.03 -0.00 0.01 0.03 0.06 -0.04 -0.03 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.04 -0.01 -0.02 0.01 -0.00 0.02 0.03 -0.01 0.00 0.02 -0.00 0.01 0.01 0.01 -0.01 0.01 0.01 0.01 -0.01 0.02 -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.05 -0.06 0.06 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.05 0.09 -0.07 0.02 -0.04 0.03 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.06 0.03 -0.09 -0.03 -0.04 0.04 0.03 0.01 -0.07 0.02 -0.04 0.03 0.01 -0.07 0.05 -0.01 0.03 -0.11 -0.03 -0.06 0.05 -0.03 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.22 0.35 -0.39 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.03 0.02 0.00 0.06 0.30 -0.41 0.46 -0.11 0.19 -0.24 -0.02 -0.01 -0.04 0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 0.02 0.14 -0.07 0.00 -0.00 -0.00 -0.03 -0.03 0.05 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.01 0.04 -0.01 0.02 -0.03 0.00 0.01 -0.01 -0.02 -0.01 0.04 0.01 0.01 -0.00 0.01 -0.03 -0.02 0.00 -0.00 0.00 0.05 -0.12 0.05 0.03 -0.03 0.07 -0.00 0.00 0.00 0.06 0.10 -0.13 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.03 0.07 -0.04 -0.03 0.01 -0.02 0.03 0.04 -0.02 0.04 -0.01 -0.01 0.03 -0.01 -0.00 -0.01 -0.00 -0.01 0.02 -0.02 0.07 -0.12 0.01 -0.01 0.02 0.03 0.02 -0.01 0.03 -0.38 -0.07 -0.10 0.35 0.09 -0.15 0.23 0.04 0.09 -0.36 -0.03 -0.09 -0.01 0.01 -0.00 -0.04 -0.14 0.12 0.18 -0.09 -0.40 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.02 -0.02 0.03 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.08 0.00 -0.01 -0.09 -0.01 -0.33 0.06 0.01 0.04 0.00 0.00 -0.01 0.18 -0.08 -0.18 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.02 0.01 -0.03 0.00 -0.01 0.02 -0.01 -0.00 0.01 0.02 -0.01 0.01 0.02 0.01 0.00 0.00 0.01 0.02 0.09 0.05 -0.03 0.00 0.00 -0.00 -0.01 0.00 0.00 0.13 0.18 0.07 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.24 0.12 0.29 -0.23 -0.25 -0.10 -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 -0.06 -0.02 -0.01 0.00 0.01 0.02 0.10 -0.01 0.08 -0.06 -0.01 -0.07 0.09 -0.02 0.03 -0.07 -0.03 -0.02 0.01 -0.03 -0.00 0.01 0.01 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.30 -0.11 -0.21 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.02 -0.06 0.40 0.28 -0.25 -0.28 -0.06 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 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.11 0.11 0.02 0.39 -0.04 -0.21 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 0.00 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.21 0.00 0.12 0.03 0.19 -0.04 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.08 -0.31 0.10 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.01 -0.04 0.00 -0.03 0.04 0.00 -0.00 0.02 -0.00 0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.06 0.35 -0.03 -0.31 0.08 0.13 0.00 0.03 0.01 0.01 -0.02 -0.02 -0.47 -0.18 0.23 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.01 -0.01 0.02 -0.00 -0.04 0.18 0.10 -0.03 -0.02 -0.02 0.03 -0.00 -0.02 0.02 0.01 0.02 -0.01 0.01 0.02 -0.03 0.00 -0.02 0.00 -0.03 0.05 -0.08 0.01 -0.02 0.03 -0.14 -0.12 -0.00 0.04 -0.03 0.03 0.07 0.02 0.01 -0.01 0.03 0.05 -0.09 -0.02 0.02 0.01 0.02 0.00 -0.02 0.00 0.02 -0.09 -0.04 0.03 0.00 -0.00 -0.02 -0.03 0.04 0.01 0.01 -0.01 -0.01 0.02 -0.04 -0.05 0.01 0.04 0.03 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.03 -0.16 0.08 -0.14 -0.09 0.02 -0.05 0.00 -0.02 0.38 0.05 0.26 -0.39 -0.20 -0.19 0.29 -0.05 0.08 -0.15 -0.11 -0.03 -0.03 -0.11 -0.02 0.04 0.01 0.05 -0.03 -0.01 -0.04 0.00 0.01 -0.03 -0.00 0.01 -0.12 0.00 0.08 0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.03 0.01 0.07 -0.01 -0.02 0.02 0.06 0.02 -0.04 -0.24 0.14 0.30 0.02 -0.03 -0.02 0.02 0.01 0.01 -0.00 -0.02 -0.02 0.03 0.01 0.02 0.07 -0.01 -0.08 -0.03 -0.02 0.00 -0.04 -0.06 0.07 0.04 0.03 -0.02 -0.06 -0.00 -0.04 -0.06 -0.06 0.07 0.01 0.04 -0.01 0.05 0.20 -0.07 0.02 0.00 -0.00 0.05 -0.03 0.07 0.04 -0.07 0.03 -0.13 -0.06 0.02 -0.04 -0.01 0.05 0.01 0.02 -0.00 0.04 0.03 -0.02 -0.07 0.02 0.05 0.01 -0.01 0.00 -0.00 -0.03 -0.04 0.08 -0.09 -0.03 -0.05 0.05 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.04 0.02 -0.02 0.00 -0.00 -0.00 -0.01 0.00 0.02 0.01 0.24 0.00 -0.02 0.04 0.05 0.18 -0.27 -0.30 0.03 -0.09 0.06 -0.02 0.03 0.17 -0.05 0.38 -0.04 0.07 0.13 -0.13 0.21 -0.29 -0.12 0.04 0.10 0.05 0.10 -0.13 -0.01 -0.16 -0.01 0.05 -0.03 -0.01 0.02 -0.01 0.02 -0.06 0.09 0.04 -0.05 -0.07 0.02 0.03 0.14 0.03 -0.08 0.04 0.09 0.02 0.01 -0.01 0.01 0.04 -0.02 -0.05 -0.09 0.07 0.02 0.09 0.07 0.01 -0.02 -0.05 -0.12 0.08 0.12 -0.03 -0.01 -0.00 0.04 -0.02 -0.01 0.00 0.01 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 0.04 -0.02 -0.04 0.02 -0.03 0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.02 0.04 0.02 0.01 -0.00 -0.00 -0.11 -0.01 -0.04 0.07 0.01 -0.04 0.03 0.01 -0.01 0.19 0.05 0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.08 -0.01 0.03 -0.13 -0.03 -0.00 0.05 -0.04 -0.06 0.04 -0.06 -0.02 0.04 -0.06 -0.01 -0.01 0.07 0.01 0.04 -0.04 0.01 -0.08 0.15 -0.01 0.01 -0.00 -0.04 -0.01 0.00 -0.04 -0.01 0.05 0.06 -0.29 -0.05 0.06 0.14 0.01 0.02 0.10 -0.01 -0.05 0.04 -0.01 -0.02 0.29 0.09 0.06 0.26 0.07 0.09 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.06 -0.04 -0.01 0.04 -0.01 -0.03 -0.00 0.00 0.00 0.06 0.09 0.07 -0.08 -0.52 -0.28 0.30 0.19 0.14 0.03 -0.01 -0.03 0.03 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.05 0.03 0.05 -0.03 0.05 -0.01 0.03 0.00 -0.02 0.02 -0.01 0.01 0.01 0.01 0.00 0.03 -0.06 -0.04 -0.01 0.01 0.01 0.02 -0.01 -0.02 -0.05 0.04 0.02 -0.04 -0.01 0.02 0.02 -0.03 -0.01 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.03 0.04 -0.05 0.08 -0.10 -0.07 0.06 0.09 -0.05 0.09 0.03 -0.06 0.09 0.02 0.01 -0.10 -0.02 -0.06 0.05 -0.02 0.11 -0.22 0.02 -0.02 0.00 0.05 0.01 -0.00 0.06 0.08 0.00 0.01 0.03 -0.09 -0.01 -0.13 -0.03 0.09 0.03 -0.04 -0.05 -0.05 0.01 0.03 0.15 0.07 -0.04 -0.11 0.02 0.04 -0.02 0.00 0.00 -0.03 -0.02 -0.05 0.08 0.07 0.02 -0.05 0.01 0.04 0.01 -0.01 -0.00 0.11 0.12 -0.03 0.10 -0.45 0.38 0.24 -0.16 0.50 -0.00 0.02 -0.01 -0.10 -0.05 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.02 -0.00 -0.01 0.00 0.02 0.02 -0.04 0.01 -0.02 -0.00 -0.12 0.01 0.05 -0.00 -0.00 0.01 0.03 0.01 -0.00 -0.01 0.03 0.03 0.04 -0.03 -0.02 0.02 -0.01 0.02 0.00 -0.01 0.01 0.15 0.05 -0.06 -0.04 0.01 -0.01 -0.02 0.03 0.01 0.02 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.04 0.03 -0.01 -0.01 0.00 0.02 -0.02 0.03 0.01 0.05 -0.08 0.04 0.02 -0.08 0.04 -0.07 -0.05 0.04 -0.07 -0.04 -0.04 0.36 0.05 0.18 -0.17 0.03 -0.09 0.18 -0.02 0.04 -0.04 -0.06 0.00 -0.03 -0.06 -0.06 -0.01 -0.02 0.08 0.03 -0.02 0.03 0.01 -0.01 -0.06 0.00 -0.00 0.20 -0.03 -0.09 -0.08 -0.04 0.01 -0.05 -0.03 -0.07 -0.03 0.01 0.01 -0.02 -0.03 -0.05 -0.30 -0.28 -0.06 0.19 -0.04 -0.16 0.02 -0.02 -0.01 -0.04 -0.02 -0.05 0.08 -0.06 0.37 -0.01 -0.26 0.31 -0.05 0.04 0.04 0.05 0.02 -0.00 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.02 0.02 -0.00 -0.03 -0.03 0.03 0.01 0.02 -0.01 0.08 -0.05 -0.05 0.04 -0.06 0.01 0.07 -0.01 -0.01 -0.03 0.01 -0.03 -0.05 -0.03 0.00 -0.04 0.07 0.04 -0.02 0.02 0.01 -0.02 -0.01 0.04 0.07 -0.05 -0.03 -0.07 -0.03 0.03 -0.02 0.05 0.01 0.04 -0.05 -0.01 -0.02 0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.02 0.01 -0.01 0.01 -0.02 0.04 0.01 0.04 -0.10 0.08 -0.10 -0.06 0.04 -0.08 0.00 0.08 -0.12 -0.05 0.02 -0.20 -0.03 -0.09 0.09 0.02 -0.10 0.24 -0.01 0.01 0.05 -0.05 -0.00 0.00 -0.05 -0.17 -0.03 -0.04 -0.00 0.16 -0.01 0.19 0.03 -0.08 -0.08 0.03 0.01 -0.11 0.01 0.04 -0.17 -0.09 0.06 0.08 -0.05 -0.13 0.06 0.01 -0.05 -0.03 0.03 -0.05 0.16 0.14 0.03 -0.09 0.01 0.07 -0.05 0.04 0.02 -0.16 -0.08 -0.06 0.08 -0.00 0.42 -0.08 -0.36 0.32 0.04 -0.13 -0.06 -0.00 0.00 0.00 -0.01 -0.01 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 -0.04 0.07 -0.01 -0.04 0.08 0.02 -0.00 -0.01 0.02 0.05 -0.05 -0.01 -0.00 -0.00 0.00 0.03 -0.07 -0.02 0.00 0.00 0.00 -0.07 0.17 0.05 0.04 -0.08 -0.05 0.00 -0.00 -0.00 0.07 0.09 0.02 -0.01 0.02 0.00 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.05 0.01 0.03 0.01 -0.03 -0.03 -0.07 0.12 0.04 -0.07 0.12 0.08 -0.07 0.10 0.02 0.00 0.00 0.00 0.00 -0.01 0.02 0.08 -0.14 0.01 0.01 -0.03 0.02 0.05 -0.07 0.02 -0.17 0.16 0.01 -0.02 0.10 0.04 0.02 0.06 -0.31 -0.07 0.10 0.13 0.01 -0.01 -0.02 -0.17 -0.08 0.05 0.42 0.02 -0.02 -0.00 0.04 -0.00 0.02 -0.01 -0.04 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.27 -0.28 0.17 -0.04 0.21 -0.04 -0.14 -0.30 0.16 0.00 0.00 -0.00 -0.05 0.01 0.05 -0.00 -0.00 0.00 0.01 -0.01 0.02 -0.05 -0.03 0.01 0.04 0.02 -0.02 -0.01 -0.03 0.01 0.01 0.03 0.01 0.05 -0.03 -0.03 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.04 0.03 0.01 0.02 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.05 -0.08 -0.05 -0.00 -0.00 -0.00 -0.08 0.12 0.02 0.09 -0.07 -0.04 0.03 0.05 0.04 0.01 -0.01 -0.02 -0.03 -0.01 0.02 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.06 0.03 0.11 0.00 -0.06 0.03 0.07 -0.13 -0.19 -0.02 -0.02 -0.13 0.02 -0.00 0.08 -0.01 0.13 -0.00 -0.02 0.12 -0.02 0.05 -0.05 -0.02 0.01 0.00 0.00 0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.11 -0.36 -0.39 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.08 0.12 0.02 0.16 -0.06 -0.08 0.43 0.44 0.12 0.06 -0.04 -0.06 0.15 -0.09 -0.07 0.02 -0.02 0.04 -0.01 0.01 -0.03 0.01 -0.00 0.02 -0.00 0.01 0.00 0.03 -0.01 -0.03 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.04 -0.01 -0.00 0.02 0.01 -0.01 -0.01 -0.02 0.01 0.00 0.01 0.02 0.05 -0.04 -0.03 0.05 0.03 -0.00 0.01 0.00 0.00 -0.02 -0.01 0.01 -0.04 0.04 -0.00 0.00 0.00 -0.01 0.02 -0.01 -0.01 -0.02 0.00 -0.00 0.01 0.06 0.06 0.00 -0.00 0.01 -0.06 0.10 0.01 0.08 -0.06 -0.03 -0.02 -0.05 -0.04 -0.01 -0.02 -0.01 -0.03 -0.01 0.02 -0.01 0.02 -0.03 -0.00 -0.00 0.00 -0.08 0.02 0.14 -0.00 -0.06 0.05 0.06 -0.13 -0.18 0.01 -0.13 -0.06 -0.07 0.11 0.08 0.02 0.08 0.00 -0.04 0.16 -0.00 0.04 -0.02 0.00 0.05 -0.01 0.00 0.01 -0.02 -0.00 -0.04 -0.00 -0.01 -0.01 -0.00 -0.01 -0.16 0.36 0.41 0.00 0.01 -0.01 0.03 0.00 0.02 -0.05 0.14 -0.00 0.15 -0.05 -0.08 -0.27 -0.30 -0.09 -0.06 0.01 0.03 0.11 -0.07 -0.05 0.07 -0.17 0.29 -0.03 0.07 -0.13 0.04 -0.11 0.18 -0.01 0.02 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.02 0.00 -0.01 -0.00 0.00 -0.02 -0.00 -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 0.04 -0.03 -0.02 -0.03 0.01 0.01 -0.00 -0.02 -0.02 -0.01 -0.01 0.00 0.03 -0.05 -0.01 -0.04 0.03 0.02 0.01 0.02 0.01 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 0.04 -0.07 -0.00 -0.00 0.01 0.04 -0.03 -0.05 0.02 -0.01 -0.04 -0.01 0.02 0.06 -0.00 0.04 0.02 0.02 -0.03 -0.03 -0.02 -0.01 -0.00 0.01 -0.04 0.00 -0.03 0.03 -0.00 0.10 -0.04 -0.00 0.02 -0.04 -0.01 -0.07 -0.01 0.02 0.01 -0.01 -0.01 0.05 -0.11 -0.12 0.00 0.02 -0.04 0.04 0.00 0.03 0.02 -0.07 0.00 -0.10 0.01 0.01 0.08 0.09 0.03 0.02 -0.00 -0.01 -0.06 0.04 0.03 0.16 -0.37 0.63 -0.06 0.14 -0.26 0.10 -0.23 0.40 0.01 -0.02 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.02 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.01 0.05 -0.00 -0.05 -0.05 0.09 0.03 0.01 -0.01 0.01 -0.02 -0.01 -0.02 -0.02 -0.01 0.00 0.04 -0.07 0.03 0.00 0.01 -0.00 -0.14 0.01 0.01 0.14 0.04 0.10 -0.00 0.00 0.01 -0.09 -0.04 -0.11 -0.01 0.04 0.00 0.04 -0.02 -0.02 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.01 0.03 0.01 -0.05 0.01 0.02 0.01 0.10 -0.09 -0.14 -0.05 0.11 0.03 -0.06 0.12 0.08 0.00 -0.02 -0.02 0.00 0.00 0.05 -0.03 0.03 -0.01 0.08 -0.16 -0.05 0.04 -0.10 -0.05 -0.20 0.10 0.07 -0.16 -0.05 0.03 0.42 0.02 0.34 0.28 -0.01 0.09 -0.02 0.03 0.04 -0.04 -0.02 -0.09 -0.29 -0.08 -0.22 0.05 0.18 -0.05 0.12 0.00 -0.06 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.02 -0.03 -0.01 0.21 -0.01 0.16 0.00 0.02 -0.08 0.08 0.01 0.10 -0.03 0.06 0.03 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.03 0.01 -0.00 -0.02 -0.02 0.02 -0.03 0.01 0.02 0.10 -0.03 -0.07 -0.09 0.13 0.03 0.01 -0.01 0.01 -0.05 0.00 -0.03 -0.04 -0.02 0.00 0.07 -0.10 0.06 0.00 0.01 -0.00 0.10 -0.05 -0.00 -0.09 -0.01 -0.06 -0.00 0.00 0.00 0.04 0.01 0.07 -0.01 0.06 -0.00 0.06 -0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.04 0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.22 -0.21 -0.28 -0.06 0.16 -0.01 -0.07 0.17 0.13 0.00 -0.02 -0.03 0.01 0.00 0.06 -0.10 0.10 -0.03 0.16 -0.31 -0.10 0.04 -0.16 -0.11 0.13 -0.12 -0.06 0.10 0.05 -0.03 -0.23 -0.02 -0.16 -0.18 -0.01 -0.10 -0.02 0.02 0.02 0.05 0.03 0.05 0.10 0.04 0.13 0.12 0.35 -0.11 0.23 0.02 -0.11 0.02 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.05 -0.01 -0.06 -0.00 -0.04 -0.00 -0.03 0.01 -0.02 0.01 -0.04 0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.04 0.02 -0.01 -0.05 -0.04 0.03 -0.07 0.04 0.03 -0.03 0.01 0.01 0.01 -0.07 0.02 -0.01 -0.01 0.00 0.01 0.01 0.02 0.02 0.01 -0.01 -0.01 0.05 -0.04 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.06 -0.00 -0.03 0.03 -0.00 -0.02 -0.00 0.02 0.02 0.01 0.03 0.02 -0.02 -0.08 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.09 0.04 0.05 -0.05 -0.03 0.00 -0.02 0.10 0.01 0.03 0.08 -0.00 -0.02 -0.08 0.05 -0.16 0.02 -0.09 0.08 0.09 -0.08 0.16 0.08 0.01 0.01 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.03 -0.08 -0.09 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.38 0.66 -0.28 0.23 0.07 -0.12 -0.05 -0.03 0.01 0.04 0.02 -0.00 -0.24 -0.00 0.12 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.08 -0.11 -0.15 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.03 -0.04 0.01 0.00 -0.00 0.02 -0.01 -0.01 -0.00 -0.02 -0.04 0.01 0.02 0.03 0.05 -0.01 0.01 0.02 -0.02 -0.01 -0.03 -0.02 0.01 -0.01 -0.02 -0.01 -0.02 0.03 0.06 -0.01 -0.01 0.04 0.02 0.01 -0.04 -0.11 -0.08 -0.01 -0.01 -0.01 0.04 -0.03 0.02 0.01 0.01 -0.00 -0.00 -0.06 0.06 0.09 0.07 0.18 0.13 0.01 0.02 -0.01 0.01 0.01 -0.03 -0.00 0.00 0.01 -0.06 -0.04 0.06 -0.06 0.04 0.14 -0.03 0.03 -0.04 0.03 -0.11 0.04 -0.07 0.04 -0.07 0.05 -0.02 0.01 -0.02 0.07 0.01 0.05 -0.05 0.02 -0.11 -0.05 -0.04 0.02 0.12 -0.01 0.03 -0.01 0.01 -0.05 -0.02 -0.11 0.02 -0.33 -0.32 0.04 0.02 0.03 -0.12 -0.02 0.01 -0.12 -0.16 0.08 0.01 -0.00 -0.01 -0.45 -0.29 0.03 0.32 0.09 -0.12 0.15 -0.04 -0.07 0.06 -0.00 0.04 0.00 -0.03 0.00 0.03 0.03 0.00 0.00 -0.01 0.04 0.02 -0.03 -0.05 0.02 0.01 -0.02 -0.01 0.01 -0.01 -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.00 0.04 -0.02 -0.01 -0.04 0.01 0.02 -0.04 -0.05 0.04 0.02 -0.01 -0.00 -0.01 0.02 0.01 0.03 0.00 0.01 0.02 0.02 0.02 -0.13 -0.06 -0.03 0.14 -0.04 -0.02 0.00 0.02 0.04 -0.14 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 0.02 0.02 0.05 0.04 0.00 0.00 -0.00 -0.02 -0.02 0.08 0.01 -0.01 -0.02 0.10 -0.06 -0.08 0.05 -0.03 -0.15 0.04 -0.02 0.02 -0.01 -0.06 -0.07 -0.02 0.05 0.02 -0.08 0.07 -0.01 0.05 -0.11 -0.04 -0.04 0.01 -0.05 0.38 0.13 0.13 -0.11 -0.37 0.04 -0.10 0.04 -0.02 0.18 0.06 0.35 -0.02 -0.06 -0.03 -0.14 -0.08 -0.12 0.38 0.06 -0.02 -0.03 -0.04 0.01 -0.00 -0.00 -0.00 -0.12 -0.08 0.01 0.08 0.02 -0.03 0.03 -0.01 -0.01 -0.18 0.00 -0.12 -0.01 0.10 -0.01 -0.08 -0.10 0.01 0.04 -0.04 -0.04 0.02 -0.02 -0.03 0.00 0.01 0.00 -0.04 0.01 -0.02 0.02 -0.11 0.14 0.01 0.02 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.17 -0.03 0.05 -0.15 -0.01 0.06 -0.11 -0.02 -0.00 -0.01 0.04 0.03 -0.03 0.01 -0.01 0.10 0.01 0.00 0.01 -0.03 0.02 0.06 0.04 0.02 -0.06 -0.03 -0.01 0.00 -0.00 -0.02 0.06 0.04 -0.03 -0.02 -0.01 -0.01 0.01 -0.01 0.01 0.02 0.00 0.03 0.03 -0.02 0.00 0.01 0.00 0.01 -0.03 -0.00 0.00 0.01 0.07 0.06 0.02 0.09 -0.11 -0.34 0.11 -0.09 -0.20 -0.04 -0.05 -0.17 -0.01 0.09 0.01 -0.20 0.34 -0.04 0.17 -0.22 -0.18 0.03 -0.17 -0.21 -0.19 -0.04 -0.06 0.09 0.12 -0.03 0.01 -0.02 -0.00 -0.04 -0.02 -0.14 -0.05 -0.00 0.04 0.05 0.03 0.03 -0.15 -0.02 0.01 0.13 0.14 -0.09 -0.07 -0.03 0.04 -0.04 -0.02 0.01 0.03 0.03 -0.01 -0.25 0.09 0.12 0.04 -0.01 0.04 0.01 -0.03 0.02 0.01 0.03 -0.02 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.02 0.02 -0.03 0.04 -0.02 -0.01 0.02 -0.06 0.09 0.02 0.02 0.04 0.03 -0.03 -0.04 -0.01 -0.01 0.02 -0.03 -0.01 0.00 0.01 -0.03 -0.00 0.01 0.03 0.03 -0.01 0.00 -0.01 -0.00 -0.01 0.01 0.02 0.01 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.06 -0.02 0.03 -0.01 0.09 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.09 -0.15 -0.03 0.00 0.00 -0.01 -0.00 0.00 0.00 0.10 0.10 -0.10 0.07 -0.01 -0.17 0.04 -0.03 0.13 -0.01 -0.01 0.01 0.00 0.02 0.00 -0.05 -0.06 -0.01 0.00 -0.10 0.02 -0.10 0.13 0.01 -0.06 0.00 -0.01 0.03 0.02 -0.01 0.01 -0.00 -0.00 -0.03 -0.00 -0.04 -0.01 0.02 0.02 0.02 0.01 0.02 -0.05 -0.01 -0.01 -0.13 -0.16 0.08 0.23 0.19 -0.16 0.02 0.02 0.00 -0.03 0.01 0.02 0.64 -0.37 -0.28 0.02 -0.01 0.02 0.00 -0.01 -0.00 0.01 0.00 0.01 0.02 -0.02 -0.03 0.00 -0.01 -0.01 -0.00 -0.03 0.01 0.00 0.01 -0.01 -0.02 -0.06 0.04 -0.01 -0.01 0.02 0.06 -0.06 -0.02 0.09 0.12 -0.04 -0.08 -0.11 0.06 -0.00 0.01 -0.03 -0.03 0.02 0.03 -0.06 -0.03 -0.00 0.06 0.07 -0.06 0.02 0.01 0.01 0.01 0.02 0.01 -0.00 -0.02 -0.03 -0.02 -0.01 0.01 -0.01 0.01 0.03 -0.01 0.04 -0.00 0.03 -0.07 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.04 0.12 0.00 0.02 -0.00 -0.02 -0.01 0.00 0.01 0.24 0.19 -0.27 0.11 0.05 -0.23 0.06 -0.05 0.39 -0.02 -0.04 -0.10 0.02 0.03 0.12 -0.03 -0.27 0.00 -0.06 -0.15 0.13 -0.24 0.37 0.10 -0.07 0.03 -0.01 0.07 -0.01 -0.01 0.07 0.01 -0.02 -0.11 -0.00 -0.05 -0.04 0.02 0.05 0.03 0.00 0.07 -0.08 -0.02 -0.03 -0.08 -0.07 0.05 -0.04 -0.10 0.04 0.01 0.01 0.01 0.00 0.01 -0.01 -0.15 0.17 0.05 0.08 0.02 0.02 -0.00 -0.05 -0.02 0.04 0.05 0.00 0.03 0.04 -0.02 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.02 0.01 -0.02 -0.02 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.08 -0.09 0.03 0.06 0.14 0.00 0.00 0.00 -0.00 0.11 -0.10 -0.03 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 -0.12 0.06 0.05 0.07 -0.02 -0.02 0.03 0.02 -0.03 0.02 0.00 -0.05 0.02 -0.02 0.06 0.01 0.00 0.03 -0.00 -0.00 -0.01 -0.01 -0.04 -0.00 -0.01 -0.03 0.02 -0.04 0.06 0.01 -0.13 -0.17 -0.05 0.06 0.00 -0.06 -0.34 -0.09 0.12 0.32 -0.07 -0.16 0.01 -0.00 -0.00 0.03 0.09 -0.35 0.01 0.08 0.23 -0.02 -0.01 0.01 0.02 -0.01 -0.01 0.01 0.01 0.00 -0.02 0.01 0.02 -0.00 0.02 -0.00 -0.39 -0.13 -0.01 0.03 0.25 0.17 -0.24 -0.19 -0.09 -0.01 0.00 0.01 -0.03 -0.10 -0.08 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.01 0.02 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.01 0.04 0.01 0.01 -0.01 -0.01 -0.04 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.06 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.08 0.01 -0.04 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.02 -0.00 0.07 0.02 -0.02 -0.07 0.07 0.12 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.03 0.01 -0.01 -0.01 0.04 -0.02 0.02 -0.03 0.03 0.01 0.23 -0.07 0.08 -0.03 0.01 0.02 0.00 -0.00 0.03 -0.01 0.03 -0.04 0.00 0.01 0.01 0.01 -0.02 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 0.05 0.08 0.06 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.01 0.01 0.04 -0.01 -0.02 0.31 0.24 0.03 -0.52 0.27 0.58 0.02 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.02 0.00 0.02 0.05 0.03 0.01 0.01 0.00 0.03 0.00 0.00 0.05 0.11 -0.15 -0.05 -0.06 0.04 0.05 -0.04 -0.02 -0.01 -0.01 0.19 -0.07 -0.03 -0.10 0.04 -0.01 0.08 -0.02 -0.02 -0.04 -0.10 -0.03 0.02 0.04 0.03 0.04 -0.07 -0.07 -0.02 0.00 0.02 0.00 0.00 -0.02 -0.00 0.04 0.01 -0.02 -0.01 0.01 0.01 -0.04 0.05 0.01 0.03 -0.03 -0.01 0.01 0.02 0.01 0.02 -0.02 -0.03 -0.01 0.08 -0.01 0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.22 0.18 0.08 -0.04 -0.34 0.11 -0.10 0.05 0.08 0.00 0.50 -0.09 -0.01 -0.31 -0.15 0.08 -0.02 0.09 -0.22 -0.06 -0.10 0.06 -0.10 -0.00 0.03 0.01 -0.01 0.02 0.01 0.02 0.01 -0.03 -0.02 0.01 0.03 0.11 -0.10 -0.17 -0.02 -0.01 0.04 0.00 -0.01 -0.04 -0.07 -0.01 0.06 0.16 0.01 -0.08 -0.11 -0.08 -0.02 0.01 -0.02 -0.01 0.08 0.05 -0.06 0.05 0.01 0.00 -0.00 -0.03 -0.02 0.03 0.02 0.02 -0.02 0.02 0.02 0.05 0.09 0.05 -0.01 0.01 -0.00 -0.03 0.05 -0.05 0.08 -0.09 0.18 -0.06 -0.02 0.05 0.03 -0.03 -0.01 -0.03 -0.02 -0.08 0.06 0.04 0.04 -0.01 0.07 -0.08 0.06 -0.02 -0.00 -0.08 -0.03 -0.02 -0.04 -0.03 -0.01 -0.11 -0.12 -0.04 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.03 -0.01 -0.03 -0.00 0.00 -0.01 -0.02 0.02 0.01 0.04 -0.03 -0.02 -0.00 0.05 0.05 0.03 -0.04 -0.05 -0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.33 -0.17 -0.03 -0.04 0.19 -0.10 0.10 -0.09 0.02 -0.05 0.47 -0.11 0.08 -0.34 0.10 0.02 0.01 -0.04 0.17 0.01 0.11 -0.12 0.05 0.03 -0.03 -0.00 -0.08 0.06 0.02 -0.01 -0.00 0.01 0.04 0.00 0.03 0.07 -0.08 -0.12 -0.01 0.00 -0.01 0.04 -0.00 -0.00 -0.05 -0.04 0.05 0.21 0.02 -0.11 -0.21 -0.13 -0.00 0.10 -0.07 -0.11 0.06 0.04 -0.05 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.08 0.07 0.05 -0.01 -0.01 -0.01 -0.02 0.02 0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.04 0.01 -0.06 -0.01 -0.02 -0.01 -0.01 -0.01 0.17 -0.15 -0.14 -0.01 -0.00 -0.00 0.05 0.01 0.01 0.03 0.04 0.01 0.02 -0.06 0.03 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.04 0.03 -0.03 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.04 -0.02 0.01 -0.02 0.00 0.00 -0.09 0.45 0.17 -0.04 0.16 -0.06 0.07 -0.08 0.06 -0.02 0.01 -0.13 0.04 -0.04 0.01 -0.09 -0.02 -0.01 0.04 -0.15 0.00 -0.09 0.09 -0.04 0.13 -0.17 -0.04 -0.35 0.41 0.10 -0.07 -0.01 -0.00 0.25 0.04 0.16 -0.01 0.01 0.02 -0.12 -0.05 0.00 0.23 0.03 0.04 0.01 0.02 -0.01 -0.02 -0.01 0.01 0.04 0.02 -0.00 0.02 -0.01 -0.02 -0.02 0.00 0.01 0.06 0.02 -0.03 -0.01 -0.05 -0.06 0.04 0.02 0.03 0.01 -0.00 -0.01 -0.05 -0.05 -0.01 0.00 0.00 -0.00 -0.01 0.02 -0.02 0.08 0.02 0.01 -0.14 -0.10 0.09 0.06 -0.11 -0.01 -0.04 -0.04 0.02 0.04 0.02 -0.00 -0.04 -0.06 -0.04 -0.00 0.01 0.01 0.04 0.03 -0.02 -0.04 -0.02 0.00 0.09 0.17 0.09 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.07 0.08 -0.00 0.00 0.00 -0.02 0.02 0.01 -0.01 0.04 -0.01 -0.01 -0.09 -0.08 0.00 -0.00 -0.00 0.00 0.10 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.07 -0.07 0.04 -0.13 -0.01 -0.09 0.13 0.01 -0.03 0.05 -0.27 0.09 -0.17 -0.20 0.06 0.04 0.01 -0.02 0.11 -0.02 0.08 -0.10 0.01 0.01 -0.03 -0.01 0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.02 0.01 0.01 0.07 -0.08 -0.11 -0.02 -0.00 -0.00 0.02 -0.01 -0.01 -0.07 -0.08 0.07 0.58 0.25 -0.34 0.12 0.02 -0.06 -0.03 0.01 0.02 0.07 0.07 -0.06 0.01 0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 0.01 0.05 0.01 -0.07 0.01 0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.00 0.01 -0.00 0.01 0.01 -0.05 0.04 0.04 0.01 0.00 0.00 -0.02 -0.00 -0.01 0.00 -0.02 -0.02 -0.05 -0.04 0.07 0.03 0.04 -0.03 -0.00 -0.02 -0.02 -0.08 0.05 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.01 0.01 0.01 0.00 0.00 -0.00 0.09 -0.04 -0.02 -0.05 0.00 0.01 0.06 -0.17 -0.10 0.03 -0.08 -0.00 -0.03 0.03 -0.01 0.00 0.02 0.02 -0.00 0.02 0.06 0.04 -0.00 0.01 -0.02 0.06 0.00 0.03 -0.03 0.02 0.05 -0.31 -0.13 0.06 0.10 -0.02 -0.34 -0.06 -0.14 0.44 0.06 0.16 -0.06 0.07 0.09 -0.36 -0.09 -0.03 0.37 0.04 0.09 -0.00 -0.01 0.00 0.01 0.01 -0.01 0.02 0.04 0.02 0.05 -0.02 -0.05 0.01 0.00 -0.00 0.15 0.04 -0.05 -0.03 -0.16 -0.11 0.10 0.08 0.04 -0.01 -0.00 0.01 0.03 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.02 -0.04 -0.04 0.03 0.02 -0.04 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.03 0.02 0.04 0.01 -0.01 -0.01 0.03 0.02 -0.01 -0.00 -0.00 0.00 0.06 -0.05 -0.08 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.02 -0.11 -0.09 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.02 -0.00 -0.03 0.04 0.05 -0.04 0.03 0.06 -0.00 0.03 -0.00 -0.02 0.01 0.00 0.01 -0.00 -0.00 -0.03 0.05 0.04 0.00 -0.01 -0.01 -0.02 0.03 0.02 -0.01 0.13 -0.01 0.03 0.01 0.17 -0.00 0.02 -0.00 0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.00 0.05 0.02 -0.02 -0.00 0.01 0.07 0.01 0.03 -0.08 -0.01 -0.03 -0.29 0.35 0.50 0.08 0.02 0.01 -0.07 -0.01 -0.02 -0.03 -0.04 0.02 0.21 0.10 -0.12 0.19 0.25 0.11 0.31 -0.12 -0.31 0.02 0.03 -0.01 -0.03 -0.00 0.01 0.01 0.03 0.02 -0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 -0.05 -0.01 -0.00 -0.05 0.06 0.01 -0.02 -0.07 0.02 0.03 -0.02 -0.06 -0.04 -0.02 -0.02 0.02 0.02 0.02 -0.01 0.02 0.03 0.08 0.02 -0.02 0.05 0.02 0.02 -0.05 -0.05 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 0.03 -0.00 -0.02 -0.01 0.04 -0.00 0.02 0.03 0.02 0.01 -0.01 -0.02 0.02 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.19 0.06 0.30 -0.12 0.25 0.11 0.09 -0.13 -0.03 -0.01 -0.04 -0.14 -0.03 0.08 0.15 -0.10 -0.00 -0.01 0.04 -0.14 0.01 -0.09 0.09 -0.05 -0.00 -0.01 -0.01 0.04 -0.04 -0.01 -0.02 -0.01 -0.01 0.02 0.00 0.00 0.05 -0.07 -0.10 -0.02 -0.00 -0.01 0.02 0.00 0.01 -0.09 -0.28 0.09 0.46 0.21 -0.28 -0.13 -0.10 -0.01 -0.12 0.05 0.12 -0.26 0.08 0.13 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.02 -0.01 -0.06 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.03 0.02 0.02 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.03 0.05 -0.07 -0.02 -0.03 0.00 0.00 -0.00 -0.01 -0.03 -0.05 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.00 0.03 0.03 -0.01 -0.01 0.05 -0.11 -0.07 0.04 -0.07 -0.04 -0.02 0.02 0.00 -0.00 -0.01 -0.03 -0.00 0.02 0.05 0.03 -0.01 0.00 -0.01 0.03 -0.00 0.02 -0.02 0.01 0.30 -0.32 -0.16 -0.24 0.38 0.09 0.44 0.03 0.27 0.06 0.03 0.10 0.01 -0.02 -0.02 0.33 0.06 0.13 0.16 0.06 0.15 -0.01 -0.01 0.00 0.03 0.02 -0.02 -0.03 -0.02 -0.00 -0.03 0.02 0.04 -0.01 0.00 0.01 0.06 0.09 0.03 0.01 0.12 0.04 -0.05 -0.06 -0.01 -0.01 0.01 0.02 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.01 -0.02 0.02 -0.00 0.00 -0.01 -0.04 0.18 -0.02 -0.05 0.00 0.02 -0.02 0.08 0.07 0.03 0.02 0.04 -0.00 -0.01 0.00 0.02 -0.05 -0.07 -0.04 -0.04 -0.01 -0.03 -0.01 -0.03 0.02 0.03 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.04 -0.03 -0.02 0.05 -0.05 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 0.01 0.04 -0.07 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.22 -0.34 -0.36 0.12 -0.24 -0.11 -0.01 0.00 -0.05 0.02 0.01 0.13 -0.01 -0.04 -0.16 0.11 -0.05 0.01 -0.05 0.10 0.02 0.06 -0.03 0.08 -0.03 0.05 0.03 -0.06 0.05 0.02 -0.03 -0.00 -0.02 -0.02 -0.00 -0.00 -0.02 0.04 0.05 -0.01 -0.00 -0.01 -0.04 -0.01 -0.04 -0.09 -0.33 0.11 0.28 0.03 -0.16 0.07 0.05 0.01 0.07 -0.03 -0.06 -0.36 0.09 0.18 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.04 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.04 0.02 0.02 -0.08 0.13 0.01 -0.02 0.05 0.00 0.02 -0.08 -0.06 -0.03 -0.02 -0.03 -0.01 -0.02 -0.02 -0.03 0.06 0.08 -0.05 -0.05 -0.01 0.04 0.01 0.03 0.06 0.07 0.03 -0.01 0.01 0.02 -0.02 0.00 -0.02 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.07 0.01 0.10 -0.08 -0.03 -0.03 -0.05 -0.03 -0.02 0.01 0.03 0.02 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.20 0.28 0.32 -0.15 0.29 0.16 0.06 -0.08 -0.01 0.04 0.06 0.33 -0.02 -0.08 -0.34 -0.12 0.05 -0.01 0.05 -0.12 -0.01 -0.08 0.06 -0.07 0.06 -0.10 -0.06 0.06 -0.02 -0.01 0.09 0.00 0.06 0.04 0.01 0.01 -0.04 0.08 0.10 0.06 0.01 0.03 0.09 0.02 0.07 0.02 -0.06 0.02 -0.13 -0.17 0.09 0.18 0.14 0.01 0.17 -0.08 -0.18 0.03 -0.01 -0.02 0.03 0.03 0.01 0.00 0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.02 -0.03 0.01 -0.01 0.03 0.18 -0.10 -0.06 -0.00 -0.00 0.00 -0.01 -0.02 -0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.04 -0.02 0.02 0.02 -0.09 -0.02 0.04 0.03 0.01 0.00 0.04 0.04 0.03 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.16 -0.03 -0.14 0.04 0.07 -0.02 -0.05 -0.03 -0.02 0.01 0.02 0.03 -0.10 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.02 -0.09 0.15 0.14 0.11 -0.18 -0.14 0.04 -0.02 0.43 -0.00 -0.06 -0.27 -0.04 -0.02 -0.01 0.01 -0.08 0.02 -0.04 0.06 -0.01 -0.01 -0.00 -0.01 0.06 -0.04 -0.01 0.05 0.00 0.03 0.02 0.00 0.00 -0.01 0.04 0.05 0.03 0.01 0.01 0.07 0.02 0.05 -0.13 -0.11 0.08 0.21 0.18 -0.15 0.14 0.10 0.00 0.13 -0.06 -0.13 -0.43 0.09 0.23 0.05 0.04 0.01 0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.02 -0.03 0.03 0.02 -0.02 -0.01 0.02 0.00 0.05 -0.04 -0.00 0.01 -0.02 -0.05 -0.00 -0.01 0.00 0.00 0.02 0.04 -0.05 -0.02 0.01 -0.05 -0.03 0.02 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.03 -0.01 -0.01 -0.02 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 0.02 -0.04 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.02 0.47 0.15 0.12 -0.20 -0.22 -0.26 0.44 0.40 -0.00 0.00 -0.03 0.02 0.01 0.16 0.02 0.12 0.00 0.00 0.14 -0.06 0.06 -0.14 -0.02 0.06 -0.07 -0.03 -0.02 -0.00 0.01 -0.05 -0.00 -0.04 0.03 0.01 0.04 0.01 -0.02 -0.02 0.02 0.00 0.02 -0.10 -0.03 -0.08 -0.06 -0.10 0.04 0.06 0.01 -0.03 -0.03 -0.02 -0.00 -0.02 0.01 0.02 -0.17 0.04 0.09 -0.08 -0.07 -0.01 0.00 0.00 0.01 0.03 0.03 0.01 -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.05 -0.04 -0.00 -0.00 -0.00 -0.06 -0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.03 0.01 -0.04 -0.03 0.01 0.10 0.02 0.04 -0.07 -0.07 -0.07 0.11 0.09 -0.00 -0.00 -0.04 0.00 0.00 0.04 0.01 0.02 0.00 -0.00 0.04 -0.01 0.02 -0.03 -0.00 -0.24 0.25 0.10 0.22 -0.14 -0.07 0.20 0.01 0.19 -0.10 -0.04 -0.19 0.00 -0.01 -0.01 -0.11 -0.01 -0.08 0.49 0.12 0.37 -0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.01 -0.02 0.00 0.01 0.32 0.26 0.05 -0.00 -0.01 -0.03 -0.10 -0.12 -0.04 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.02 -0.03 0.01 -0.00 -0.00 0.00 0.02 0.05 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.07 0.06 0.04 0.03 -0.08 -0.05 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 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.06 -0.02 -0.00 -0.04 0.00 -0.24 -0.02 -0.20 0.16 0.04 0.15 -0.00 -0.00 -0.00 0.10 0.01 0.15 -0.23 -0.06 -0.22 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 0.53 0.47 0.18 0.01 0.02 0.02 -0.25 -0.27 -0.11 -0.01 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 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.03 -0.02 -0.06 -0.00 -0.00 -0.00 -0.05 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 -0.03 -0.03 -0.01 0.01 0.03 0.01 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.24 0.13 0.06 0.33 -0.20 -0.09 -0.01 0.00 -0.10 0.47 0.06 0.23 -0.00 -0.00 -0.00 0.50 0.09 0.35 0.06 0.02 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.11 -0.10 -0.02 0.00 0.15 0.07 0.13 0.11 0.05 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.09 -0.05 0.03 0.02 0.01 -0.01 -0.01 -0.06 0.01 0.06 0.10 -0.05 -0.00 -0.03 -0.02 0.03 0.01 -0.04 0.00 -0.02 -0.02 0.07 0.03 -0.00 -0.02 -0.02 0.01 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.03 0.02 0.00 0.00 -0.00 0.02 -0.03 -0.01 -0.00 0.07 -0.01 -0.02 -0.04 -0.03 -0.01 0.02 0.02 -0.05 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.22 -0.38 0.38 0.08 -0.06 -0.16 -0.19 0.28 0.28 0.07 -0.03 0.44 -0.07 0.02 -0.22 -0.01 0.08 -0.01 -0.01 0.10 -0.01 -0.01 -0.02 0.00 -0.04 0.03 0.02 -0.03 0.04 0.01 -0.02 -0.00 -0.01 0.03 0.00 0.01 0.03 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.07 0.06 -0.04 -0.01 0.08 -0.01 0.12 0.08 0.00 0.11 -0.04 -0.11 0.13 -0.06 -0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.03 0.01 -0.05 -0.06 0.04 0.01 0.09 -0.02 -0.03 0.08 0.01 0.06 -0.09 -0.08 0.00 0.02 0.05 -0.00 -0.01 -0.02 0.04 0.01 -0.00 0.01 -0.02 0.04 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.02 -0.00 0.00 -0.00 -0.02 0.05 0.01 -0.00 -0.07 0.02 0.01 0.02 0.01 -0.00 -0.01 -0.00 0.07 -0.03 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.32 -0.06 -0.20 0.37 0.33 -0.19 0.29 0.26 -0.05 -0.07 -0.26 -0.00 -0.05 -0.32 -0.08 0.17 -0.02 0.06 0.12 -0.05 -0.13 0.06 -0.07 -0.02 0.02 0.01 -0.03 0.03 0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.02 0.03 0.03 0.02 -0.00 0.02 0.00 0.00 0.01 -0.08 -0.07 0.06 -0.06 -0.11 0.05 -0.03 -0.02 0.00 -0.03 0.00 0.03 -0.15 0.07 0.07 0.00 0.00 0.00 -0.00 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 0.03 0.04 -0.01 0.01 0.03 -0.01 0.00 -0.03 0.00 -0.05 0.02 0.03 0.04 -0.05 -0.05 -0.02 -0.04 -0.10 0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.00 0.02 0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 0.02 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.00 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.09 -0.20 -0.18 0.28 0.30 -0.07 0.12 0.09 0.07 0.12 0.38 0.07 0.06 0.68 -0.05 0.09 -0.01 0.04 0.04 -0.02 -0.08 0.04 -0.04 -0.03 0.02 0.01 -0.02 0.02 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 0.01 -0.04 -0.04 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.02 0.03 -0.04 0.05 0.03 -0.04 -0.03 -0.02 -0.01 -0.03 0.02 0.03 0.05 -0.02 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.02 0.01 0.02 -0.08 -0.07 0.05 0.02 0.12 -0.03 0.02 0.01 -0.05 -0.04 0.05 0.05 -0.01 -0.02 -0.08 0.00 -0.00 -0.01 0.06 0.03 -0.02 -0.00 0.00 -0.02 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 0.00 -0.00 -0.04 0.06 0.01 0.00 -0.11 0.02 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.10 -0.02 -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.25 -0.26 0.37 0.15 -0.22 -0.26 0.05 -0.11 -0.11 0.04 0.05 0.29 0.09 0.04 0.49 0.03 -0.08 0.00 -0.04 -0.04 0.04 0.06 -0.02 0.04 -0.05 0.04 0.02 -0.05 0.04 0.01 -0.04 -0.00 -0.02 0.01 -0.00 -0.00 0.01 -0.03 -0.03 0.03 0.01 0.02 0.01 0.00 0.00 -0.13 -0.09 0.06 -0.05 -0.15 0.05 -0.01 -0.01 -0.00 -0.01 0.01 0.01 -0.18 0.11 0.09 0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 -0.00 -0.01 0.02 0.02 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.02 0.03 -0.12 -0.02 -0.06 -0.00 -0.00 -0.00 0.09 0.01 0.04 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.03 0.03 0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.02 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.02 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.12 -0.11 -0.03 0.38 -0.19 -0.11 0.43 0.06 0.21 0.35 0.03 0.18 -0.00 0.00 0.00 -0.36 -0.08 -0.24 -0.23 -0.05 -0.13 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.05 -0.02 -0.01 0.01 -0.19 -0.09 -0.14 -0.09 -0.04 -0.01 0.04 0.02 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.05 -0.03 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.12 0.05 0.02 0.08 -0.02 0.02 0.00 0.01 0.00 -0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 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 0.04 -0.00 0.01 0.04 -0.01 0.02 -0.01 -0.00 0.02 0.01 -0.01 0.02 0.01 0.55 -0.39 -0.12 0.40 -0.33 -0.14 -0.01 -0.00 -0.09 -0.32 -0.03 -0.15 0.01 -0.01 -0.01 0.12 0.02 0.10 0.08 0.02 0.08 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.03 0.01 0.00 -0.00 0.08 0.05 0.07 0.05 0.02 0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 0.01 0.01 0.02 0.01 -0.01 -0.00 -0.02 0.00 0.01 -0.00 -0.01 -0.02 0.03 0.02 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.03 -0.02 0.01 0.05 -0.11 -0.02 0.06 0.06 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.06 -0.04 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.05 0.08 0.04 0.01 -0.04 -0.05 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.09 -0.09 0.14 0.06 -0.09 -0.12 0.03 -0.06 -0.07 -0.01 -0.02 0.06 0.08 -0.08 -0.07 -0.18 0.42 -0.18 -0.08 0.44 0.19 -0.33 0.31 0.18 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.10 0.06 0.12 0.00 0.00 0.00 0.01 -0.00 0.00 0.02 0.02 -0.01 0.02 0.02 -0.01 -0.19 -0.14 -0.01 -0.18 0.04 0.15 0.03 -0.02 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.03 0.00 -0.01 -0.02 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.03 0.02 -0.00 0.02 0.01 0.03 0.02 0.02 -0.00 0.00 0.00 0.02 0.02 -0.01 0.05 -0.09 -0.01 -0.08 -0.09 -0.04 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.04 0.09 0.06 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.06 -0.10 -0.06 -0.01 0.06 0.06 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.10 0.14 -0.15 0.01 -0.03 -0.01 0.05 -0.07 -0.08 -0.00 0.01 -0.15 -0.08 0.10 0.13 -0.15 0.36 -0.15 -0.05 0.38 0.15 -0.30 0.28 0.14 -0.04 0.03 0.01 -0.02 0.02 0.01 0.00 -0.00 0.01 0.03 0.01 0.02 0.15 -0.08 -0.17 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.02 -0.01 0.01 -0.01 -0.02 0.01 0.26 0.19 0.01 0.24 -0.05 -0.20 -0.02 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -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 0.03 -0.03 0.15 0.03 0.04 0.04 0.05 -0.03 0.00 -0.02 -0.00 -0.01 0.03 -0.04 -0.01 -0.01 0.01 -0.04 0.05 0.03 -0.01 -0.00 -0.01 -0.11 -0.07 0.03 -0.00 0.01 0.00 -0.05 -0.04 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 0.02 0.00 -0.00 0.00 -0.00 -0.03 0.00 -0.01 -0.00 0.01 -0.02 -0.03 -0.02 -0.01 0.02 0.02 -0.03 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.23 -0.39 0.31 0.02 0.02 -0.05 -0.04 0.03 0.01 -0.17 -0.37 -0.39 0.42 -0.20 0.19 0.01 -0.04 0.01 0.01 -0.04 -0.01 0.03 -0.03 -0.02 0.03 -0.01 -0.00 0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.00 0.05 -0.02 -0.06 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.03 0.05 -0.03 0.08 0.03 -0.05 0.08 0.06 0.00 0.08 -0.02 -0.07 0.05 -0.02 -0.02 0.01 0.00 0.00 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.04 0.02 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.07 -0.02 -0.01 -0.04 -0.02 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 0.01 0.00 0.00 0.00 -0.00 0.04 -0.02 0.08 0.01 0.03 0.05 -0.00 0.00 0.00 -0.18 0.11 -0.30 0.11 -0.13 -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 0.00 0.00 -0.00 0.21 0.14 0.02 -0.05 0.52 0.34 0.48 0.30 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 -0.01 0.04 -0.01 -0.07 0.00 -0.00 -0.00 -0.02 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.02 -0.04 -0.01 -0.22 -0.38 0.47 -0.29 0.44 0.41 -0.00 0.00 0.00 0.11 0.17 -0.13 0.10 -0.12 -0.15 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 -0.04 -0.02 -0.01 0.01 -0.09 -0.06 -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.05 -0.01 0.02 0.04 0.04 -0.03 0.03 0.02 -0.02 0.01 0.02 -0.02 -0.01 -0.00 0.00 0.02 -0.06 0.01 -0.00 -0.00 -0.00 -0.03 -0.03 0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.05 -0.05 0.03 -0.06 -0.05 0.04 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.02 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.14 0.13 0.02 0.02 -0.04 -0.03 0.01 -0.00 0.13 0.59 -0.26 -0.54 0.27 -0.02 0.07 0.05 0.00 0.01 -0.05 -0.03 0.01 0.03 0.07 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.02 0.03 -0.02 0.02 0.02 0.00 -0.01 -0.02 -0.04 -0.07 0.06 -0.05 0.05 0.06 0.05 0.18 -0.05 0.18 0.03 -0.11 0.00 0.00 0.00 -0.00 0.01 0.00 0.04 0.03 -0.02 0.01 0.00 0.00 -0.00 0.02 0.01 0.02 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.00 0.01 -0.02 -0.02 0.01 -0.02 -0.01 0.01 -0.00 0.00 0.00 0.02 -0.03 0.02 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.02 0.02 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.02 -0.01 0.02 0.05 0.05 -0.03 0.04 0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.05 0.03 0.15 0.31 -0.19 -0.30 0.11 -0.24 0.03 0.17 -0.10 -0.14 0.07 0.02 -0.31 0.08 -0.10 -0.23 -0.17 0.39 0.29 -0.13 0.15 0.02 0.01 0.02 0.01 0.03 -0.01 0.02 0.04 -0.05 0.03 -0.05 -0.04 0.00 -0.00 -0.01 0.08 0.14 -0.11 0.09 -0.09 -0.11 -0.03 -0.15 0.04 -0.12 -0.02 0.07 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.05 0.01 -0.01 -0.00 -0.01 0.01 -0.04 -0.02 -0.04 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.02 -0.00 0.00 0.00 -0.05 -0.01 0.05 0.02 0.02 -0.02 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 -0.04 -0.05 0.05 -0.05 -0.11 0.06 0.11 -0.05 0.09 0.03 0.13 -0.06 -0.11 0.06 0.01 0.26 0.00 0.06 0.15 0.04 -0.26 -0.16 0.11 -0.01 0.09 0.05 0.10 0.06 0.12 -0.06 0.06 0.12 -0.15 0.08 -0.14 -0.12 0.00 -0.00 -0.01 0.21 0.39 -0.31 0.26 -0.26 -0.32 -0.01 -0.07 0.02 -0.06 -0.01 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.04 -0.01 -0.02 0.02 -0.12 -0.07 -0.12 -0.06 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.05 0.01 0.02 -0.04 -0.04 0.03 -0.03 -0.02 0.02 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.03 -0.02 0.00 -0.02 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 0.00 -0.02 -0.00 0.00 0.01 0.03 0.01 -0.03 0.10 0.10 -0.07 0.08 0.07 -0.06 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.06 -0.06 0.04 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.06 -0.09 0.08 -0.01 -0.02 0.00 0.04 -0.04 0.01 0.04 0.22 -0.12 -0.17 0.09 0.06 0.32 0.04 0.07 0.17 0.00 -0.30 -0.16 0.13 0.04 -0.07 -0.05 -0.08 -0.04 -0.09 0.05 -0.04 -0.08 0.11 -0.06 0.10 0.09 0.00 -0.01 -0.01 -0.14 -0.27 0.21 -0.18 0.18 0.23 -0.07 -0.30 0.08 -0.25 -0.04 0.14 0.00 0.01 0.00 -0.00 0.01 0.01 -0.02 -0.10 0.02 0.03 0.01 0.01 -0.01 0.08 0.05 0.09 0.05 0.02 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 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 0.02 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.05 -0.05 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.02 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -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 0.03 0.03 -0.00 0.03 0.00 0.02 -0.01 -0.02 0.01 0.01 -0.09 -0.05 -0.01 -0.02 0.05 0.04 0.00 -0.04 -0.08 0.36 0.32 0.50 0.26 0.52 -0.30 -0.03 -0.04 0.03 -0.02 0.05 0.05 0.00 -0.00 -0.00 -0.05 -0.11 0.10 -0.10 0.07 0.08 -0.01 -0.02 0.01 -0.02 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.02 -0.02 -0.00 -0.01 0.00 0.01 0.01 0.01 -0.00 0.03 0.02 0.03 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.03 0.02 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.04 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 -0.01 -0.01 0.01 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 -0.00 0.02 0.07 -0.03 0.10 0.29 -0.15 -0.21 0.03 -0.21 -0.03 -0.13 0.07 0.11 -0.06 -0.01 0.45 0.34 0.02 0.09 -0.31 -0.20 0.03 0.19 0.46 0.06 0.06 0.09 0.04 0.09 -0.05 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.02 0.02 -0.02 0.01 0.01 0.01 0.06 -0.02 0.04 0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 0.00 -0.00 0.01 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 -0.00 -0.01 0.02 -0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.04 -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 0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.03 0.03 -0.23 -0.32 0.29 0.32 -0.05 0.36 -0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 0.28 -0.09 -0.16 -0.32 0.23 0.27 -0.00 0.42 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 -0.02 0.01 -0.02 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.06 -0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 0.04 0.06 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.15 -0.07 -0.18 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.06 0.02 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.29 -0.09 0.09 0.33 0.08 -0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.03 0.00 0.12 0.07 -0.07 -0.20 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.06 0.06 0.08 0.04 0.10 -0.05 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.09 0.03 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.02 0.00 -0.01 0.05 0.26 0.21 -0.23 0.40 0.51 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 0.03 0.00 0.01 0.04 -0.05 -0.01 -0.14 -0.16 0.11 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.04 -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 -0.20 -0.05 0.12 0.16 0.20 -0.12 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.26 0.04 -0.15 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.04 0.03 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 0.07 -0.06 -0.06 0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.30 0.01 -0.41 0.03 0.22 0.00 0.01 0.00 -0.00 0.01 0.01 -0.45 0.37 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 0.01 -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 0.05 -0.06 -0.09 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.30 0.15 0.34 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.27 -0.09 -0.26 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.21 -0.08 0.06 0.16 0.02 -0.09 -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 0.02 -0.10 -0.16 -0.04 0.05 0.18 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.07 0.40 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 0.15 0.28 0.17 -0.03 0.14 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 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.04 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.24 0.31 0.13 -0.17 -0.29 -0.14 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 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 0.02 0.00 0.00 0.00 0.20 0.09 0.03 -0.10 -0.03 -0.03 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.42 -0.10 0.03 -0.27 0.26 0.22 0.49 0.09 -0.05 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.18 0.28 -0.34 -0.10 0.02 -0.09 -0.04 0.03 -0.01 -0.01 -0.00 0.01 -0.00 -0.03 0.04 0.00 0.00 0.01 -0.01 0.01 -0.01 0.03 0.01 -0.02 0.36 -0.43 0.55 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 0.01 -0.02 0.03 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.03 -0.01 0.02 0.03 0.01 0.10 0.19 -0.12 0.08 0.01 -0.10 -0.05 -0.01 -0.10 -0.03 -0.05 0.08 0.05 -0.02 0.03 0.02 0.02 -0.00 -0.00 0.02 0.00 -0.01 0.01 0.03 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.04 -0.05 0.04 -0.03 -0.04 0.00 -0.04 0.02 -0.04 -0.05 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.04 0.01 -0.00 0.03 -0.05 -0.03 -0.08 -0.02 -0.01 -0.02 -0.03 0.04 0.00 0.00 -0.00 -0.14 -0.38 0.32 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 -0.05 0.02 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.21 0.59 -0.49 -0.02 0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.04 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.04 -0.03 0.03 0.02 -0.02 0.06 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.03 -0.00 0.00 -0.01 -0.00 0.02 -0.02 -0.00 0.07 -0.09 -0.13 0.06 -0.20 0.03 0.07 0.01 0.02 -0.05 0.01 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.03 0.02 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.05 0.05 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.02 -0.04 -0.12 0.09 -0.00 0.00 -0.00 0.09 -0.16 -0.09 0.11 0.82 -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 0.01 -0.02 -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 -0.03 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 -0.01 0.00 -0.00 -0.04 0.00 -0.02 0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.08 -0.08 -0.41 0.63 0.00 0.38 -0.32 -0.37 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.02 0.01 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.03 -0.02 -0.06 -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 -0.02 0.03 0.00 0.02 -0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.05 -0.03 -0.11 -0.27 0.67 0.35 -0.13 -0.45 0.33 0.00 -0.00 0.00 0.02 -0.03 -0.02 -0.01 -0.06 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -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 -0.07 0.00 -0.04 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 0.83 -0.03 0.51 -0.14 0.00 -0.09 0.00 -0.00 -0.00 -0.13 0.03 0.02 0.02 0.02 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 0.01 0.02 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 0.01 -0.00 -0.07 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 0.01 -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 -0.12 -0.28 0.30 -0.17 -0.09 -0.38 -0.13 0.33 0.18 0.15 0.51 -0.40 -0.00 -0.00 -0.00 0.07 -0.11 -0.07 0.01 0.08 -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 -0.01 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 -0.03 -0.04 -0.02 0.00 -0.05 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 -0.00 0.00 -0.00 0.01 0.00 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 0.12 0.28 -0.31 0.28 0.15 0.60 -0.14 0.32 0.18 0.10 0.31 -0.24 -0.00 -0.00 -0.00 0.07 -0.11 -0.07 0.00 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 -0.01 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 0.01 -0.00 0.00 0.00 -0.04 0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.02 -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 -0.08 0.00 -0.05 -0.50 -0.01 -0.31 0.46 0.54 -0.27 0.04 -0.01 -0.00 -0.01 -0.01 0.00 -0.05 0.05 0.23 0.01 0.00 -0.00 -0.07 -0.08 0.04 0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.02 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 -0.04 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 0.00 -0.04 -0.19 0.00 -0.13 -0.09 -0.11 0.06 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.04 0.23 0.51 -0.01 0.32 0.41 0.51 -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 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.06 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.11 -0.00 0.07 -0.01 0.00 -0.01 -0.02 -0.02 0.01 0.91 -0.21 -0.09 -0.16 -0.26 0.05 0.01 -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.03 -0.05 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.03 0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.03 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.03 -0.04 0.10 0.05 0.02 0.07 -0.06 -0.00 -0.00 0.00 -0.33 0.53 0.37 0.02 0.12 -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 0.34 -0.41 -0.32 -0.13 -0.02 0.02 0.04 -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 0.00 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 0.02 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 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 0.18 -0.00 0.11 -0.11 -0.13 0.06 0.03 -0.01 -0.00 -0.01 -0.01 0.00 -0.17 0.18 0.80 0.17 0.00 0.08 -0.25 -0.31 0.13 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 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 0.01 -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 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.05 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.04 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.03 -0.00 -0.00 -0.01 -0.03 0.08 0.05 0.01 0.04 -0.03 -0.00 -0.00 -0.00 -0.28 0.44 0.31 0.02 0.12 -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 -0.40 0.46 0.37 0.24 0.04 -0.03 -0.08 0.10 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 0.03 -0.09 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 0.03 -0.00 0.02 0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.24 -0.51 0.55 0.25 0.13 0.51 0.00 -0.01 -0.01 -0.03 -0.09 0.07 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 0.02 0.03 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 -0.01 -0.00 -0.00 -0.08 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.10 -0.00 0.07 0.61 -0.01 0.39 0.35 0.43 -0.23 0.02 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.16 -0.01 0.10 0.12 0.16 -0.08 0.01 0.02 -0.02 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 -0.01 0.02 0.02 -0.02 -0.06 -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 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 -0.04 -0.03 -0.01 -0.03 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.16 -0.19 -0.15 0.58 0.10 -0.07 -0.40 0.49 0.39 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.02 -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 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.28 -0.07 -0.03 0.48 0.81 -0.16 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.09 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 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.06 -0.07 -0.06 0.74 0.13 -0.08 0.33 -0.43 -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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.02 -0.04 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 0.67 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 -0.32 0.24 0.43 -0.11 -0.12 -0.05 -0.01 -0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.08 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.25 -0.16 -0.12 -0.04 0.12 0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.24 0.87 -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 0.01 -0.00 -0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.10 0.07 0.05 -0.33 0.92 0.00 0.03 -0.02 -0.04 0.02 0.02 0.01 -0.02 -0.08 0.02 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.05 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.03 -0.03 -0.05 0.02 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.51 -0.32 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.06 0.00 -0.38 0.29 0.52 -0.22 -0.25 -0.11 -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 -0.07 0.04 0.03 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 0.73 -0.47 -0.36 -0.03 0.09 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.30 0.09 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.03 -0.06 -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 -0.07 -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 -0.21 0.15 0.28 0.58 0.65 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 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 7927.81767 8258.92183 9214.08144 0.86497 -0.49788 -0.06282 0.50148 0.86221 0.0715 0.01856 -0.09335 0.99546 asymmetric 1 0.01093 0.01049 0.00940 0.22765 0.21852 0.19587 1036409.8 21.16 26.72 42.02 54.16 67.84 78.37 92.14 109.28 128.27 134.29 150.26 155.19 188.56 198.07 220.44 261.60 266.80 316.41 328.66 348.77 365.57 388.17 447.96 478.37 499.28 515.09 566.13 600.83 627.21 679.80 704.03 751.81 788.67 883.35 884.65 924.01 935.74 941.39 967.26 1018.39 1067.69 1073.75 1095.95 1114.83 1120.84 1140.93 1144.24 1205.75 1223.95 1240.26 1267.23 1277.09 1284.36 1302.47 1304.52 1320.09 1335.04 1365.67 1385.38 1388.98 1390.49 1396.33 1459.92 1478.51 1490.14 1491.69 1526.58 1534.57 1561.81 1582.91 1591.04 1605.98 1624.21 1636.06 1663.50 1676.00 1695.95 1723.07 1764.92 1786.51 1796.69 1802.25 1836.64 1845.46 1852.76 1862.10 1888.01 1892.16 1892.41 1919.12 1937.39 1957.47 1990.57 1991.78 1998.28 2010.73 2025.61 2037.96 2041.13 2082.73 2096.53 2132.73 2148.02 2154.90 2155.34 2157.51 2162.75 2163.91 2172.51 2190.06 2215.26 2344.25 2441.60 2515.61 2577.57 4316.69 4341.56 4343.76 4381.06 4392.13 4407.57 4415.16 4420.01 4429.47 4453.16 4453.83 4475.91 4482.15 4482.42 4494.76 4540.55 4617.88 4656.72 4658.47 4669.35 4671.95 4703.48 4709.17 0.394748 0.419270 0.420214 0.336876 -1164.865954 -1164.841431 -1164.840487 -1164.923825 263.096 90.714 175.400 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 34.755 261.319 84.753 97.234 1 0.593 1.986 7.245 2 0.593 1.986 6.781 3 0.593 1.984 5.883 4 0.594 1.982 5.379 5 0.595 1.979 4.934 6 0.596 1.976 4.648 7 0.597 1.971 4.329 8 0.599 1.965 3.993 9 0.602 1.957 3.679 10 0.602 1.954 3.589 11 0.605 1.946 3.370 12 0.606 1.943 3.307 13 0.612 1.922 2.930 14 0.614 1.916 2.836 15 0.619 1.899 2.632 16 0.630 1.864 2.310 17 0.632 1.860 2.273 18 0.647 1.811 1.960 19 0.651 1.798 1.891 20 0.659 1.775 1.785 21 0.665 1.756 1.702 22 0.674 1.729 1.598 23 0.700 1.652 1.355 24 0.714 1.611 1.248 25 0.725 1.581 1.180 26 0.733 1.559 1.131 27 0.761 1.484 0.987 28 0.781 1.432 0.900 29 0.796 1.392 0.839 30 0.829 1.311 0.731 31 0.845 1.274 0.685 32 0.877 1.200 0.604 33 0.903 1.144 0.548 34 0.973 1.002 0.426 35 0.974 1.000 0.425 0.415854e+27 26.618941 61.292376 0.187642e+12 11.273329 25.957800 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.879245e+07 6.944110 15.989404 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2607014 3.466E-9 2.41E-6 0.3947477 0.4192702 -1164.8414312 -1164.8404871 -1164.9238251 -5.3892669,15.6103231,-10.2210562,1.3151911,-4.8329176,-3.374685 C01 [X(C18H23N3O4)] -1.5287938 0.4043514 0.6487407 -0.3111973 0.1063351 -0.1266258 0.2044769 -1.3690206 0.4234792 -0.1848029 0.4606103 -0.903473 -0.4524759 0.0191415 -0.189435 0.0393505 -0.3592563 0.2404968 -0.1814253 0.2079814 -0.4508639 -0.3865864 0.0033768 -0.2255045 -0.1140251 -0.6574289 -0.3262326 -0.2985424 0.0737349 -1.1626923 -0.8879896 0.1001836 0.1442556 0.2167814 -0.5955042 -0.3974583 0.2454169 -0.2908552 -0.9648793 -1.2235886 0.001655 0.012403 0.340621 -0.5219096 -0.0155458 -0.0203952 0.1035518 -0.7277144 -0.6720262 -0.1367922 -0.5899385 -0.0734449 -0.0925147 -0.1873686 -0.6797978 -0.2474519 -0.9931452 -0.4870306 -0.0451421 -0.2168499 -0.0340783 -0.3695196 -0.0750754 -0.221097 -0.0811739 -0.5314578 0.2845541 0.0569066 0.2792229 0.0313849 0.0309239 -0.0273174 0.2035068 -0.0992668 0.4834997 0.0308036 -0.0043394 -0.0254276 -0.0259817 0.1249051 -0.0312465 0.0040115 -0.0849254 0.0008163 0.3411031 0.0541936 -0.3366914 -0.0735254 0.4013707 -0.0938694 -0.3852896 -0.1400677 0.556073 0.3279136 -0.0718928 0.318723 0.0132421 1.3107918 -0.0383807 0.439981 -0.4344364 1.6733651 2.0775242 -0.0742174 0.2279161 -0.3372899 0.5172006 0.5494629 0.277112 0.5961209 1.4946841 0.1461544 -0.0279219 0.0144691 -0.0008115 -0.0110354 -0.0019907 -0.007976 0.0420553 0.0754682 0.2756947 0.0771866 0.170379 -0.004424 -0.1060452 0.0101396 0.1687555 -0.1201741 0.1587627 0.2775864 -0.0536365 -0.0242579 -0.1544799 0.8245337 -0.0917799 0.0140699 0.0441698 0.198345 0.0015432 0.0315554 -0.0196428 0.0578032 0.1607022 0.0325824 -0.1137701 0.0239473 0.0755749 -0.0257491 0.0795875 0.0344227 0.0642961 -0.0527071 -0.0099401 0.0534171 0.0181841 -0.1766125 -0.0062914 0.0085764 -0.034412 -0.0271718 0.0125951 0.0909681 -0.0305272 0.1071437 0.1148398 -0.1388742 0.0275995 0.0545266 0.2514351 0.0188237 0.2577046 0.2501043 0.1291974 0.1961705 0.4322839 0.0264381 0.4279986 -0.2004226 0.0137089 -0.1424323 0.3764263 -0.0244307 0.4390577 -0.1283344 0.0658261 0.0364348 0.0543115 0.01535 -0.0945068 0.032105 -0.0711384 -0.1073239 0.0562763 -0.0836623 0.152254 -0.0717297 0.1374516 -0.2012358 0.1415326 -0.2196228 0.1213938 -0.0361178 -0.036796 0.1003605 -0.0467145 0.2223885 0.0513903 0.0809249 0.0816433 0.0078668 0.1894404 0.0692819 0.1517363 0.0160791 0.1491004 -0.0912714 0.2516319 -0.1213247 -0.1458559 -0.1552226 -0.0213921 0.1013694 -0.0845475 -0.0518272 -0.1071946 0.1129516 -0.1592895 -0.2423889 -0.0461274 -0.0129767 0.0048563 0.0200934 0.0256995 -0.0359025 0.0283287 -0.0360171 0.0271112 -0.0419648 0.001447 0.0653997 0.0326266 0.0009025 -0.0082515 0.0260577 0.0038445 0.0835131 0.0241295 -0.0223278 -0.0789069 -0.0170765 0.0337552 -0.0112232 -0.0691177 -0.0078174 -0.0451097 -0.0505189 0.0716846 0.0033745 0.022251 0.0042997 0.0385894 -0.0074587 0.0827142 0.0266957 0.1124073 -0.0657346 0.0032202 -0.0167553 0.0425867 0.0054772 0.0150847 -0.0006455 -0.0487262 0.0634801 -0.0290815 0.0453106 -0.0049736 -0.0559121 0.0908911 0.0270636 0.1295973 -0.0802849 -0.1421166 0.0676501 0.0462542 -0.0003718 0.0239606 -0.0027648 0.0658137 -0.0399477 0.0544677 -0.0234549 -0.0289869 -0.0981115 -0.0183701 0.0366227 -0.0522387 -0.0805097 -0.0971967 -0.0562474 0.0618156 0.0081575 0.0097849 0.0159759 0.0122838 0.0047764 -0.0272414 -0.0978919 -0.0306828 -0.1150394 -0.0382969 0.0601664 0.0336127 -0.0237621 0.0573311 0.0836574 0.0658442 0.0358827 0.0219281 0.0078922 0.0011692 -0.0258864 -0.1743831 0.0484405 0.0167804 0.0218211 0.0516418 0.0188901 -0.0021717 -0.0296159 -0.0220721 0.0359402 -0.0728314 0.0019976 -0.0639698 -0.097195 0.0382312 -0.0206204 -0.0655854 -0.0339928 0.0898404 0.0033076 -0.0580451 -0.0073753 0.1401931 0.012349 -0.0275415 0.002062 -0.0077087 0.0136194 0.0557028 -0.0090427 0.0450326 0.0410835 -0.0365795 -0.038703 -0.0410143 0.0089998 0.0041811 -0.1013221 -0.0372815 -0.0954512 -0.0819795 0.1349376 0.0655054 -0.0449081 0.053322 0.0546459 0.0088848 -0.0690825 0.0265176 0.0923057 0.1082396 -0.0359509 -0.0420888 -0.0322967 0.1017277 0.0172964 -0.0438893 0.0221129 0.0977624 0.1137749 -0.0199607 -0.0207254 -0.0338855 0.023093 0.0927072 -0.0284755 0.069505 0.1021233 0.0597264 -0.0505576 -0.0487584 -0.0537806 0.0814259 0.0481484 -0.0609251 0.0262771 0.1344188 0.1202006 -0.0221085 -0.0481643 -0.0097832 0.0172707 -0.0543547 -0.0635138 -0.0774244 0.0503923 0.0256796 0.0012382 -0.0325501 0.0239015 -0.1227615 0.0621239 -0.0730023 0.0945582 0.0935382 -0.065289 0.0139696 -0.070712 0.0409911 0.0497443 0.0338627 -0.1139365 0.0510801 0.1066844 0.0759067 0.0054232 -0.0581431 -0.0159558 -0.0278577 0.0479719 -0.0515856 0.0906491 0.1129011 237.4158587|8.3248516|241.0421215|21.199892|-4.019671|225.7802401 0.000003372 -0.000000327 0.000000542 -0.000003409 -0.000008088 -0.000008969 0.000001128 0.000000480 0.000000900 -0.000002567 0.000000311 0.000003978 0.000000859 -0.000000523 -0.000005796 0.000002573 -0.000003609 0.000000050 -0.000000809 0.000000923 -0.000000934 0.000001931 -0.000005528 0.000004437 0.000000576 -0.000001358 -0.000005970 -0.000002683 -0.000001499 0.000005844 -0.000000664 0.000001877 0.000000396 0.000001545 -0.000001407 -0.000004213 0.000001228 0.000000450 -0.000000160 0.000006047 0.000008387 0.000006706 -0.000002842 0.000000059 -0.000001709 0.000000864 0.000000923 0.000005096 -0.000001860 -0.000004160 -0.000005991 -0.000001209 0.000000869 -0.000001266 0.000001237 0.000000236 0.000001633 -0.000002065 0.000004163 0.000000897 -0.000000739 0.000003074 0.000000713 -0.000000690 0.000004721 0.000003569 -0.000001380 0.000000549 -0.000000900 0.000001184 -0.000000615 0.000002733 -0.000000194 0.000001088 0.000003312 -0.000000066 0.000002406 -0.000003239 0.000001462 0.000000714 0.000000646 0.000001679 -0.000000730 0.000000633 -0.000000407 -0.000001735 -0.000002331 -0.000001986 0.000002439 -0.000001136 0.000000420 -0.000000909 -0.000001006 0.000000847 0.000000105 -0.000000961 0.000000675 -0.000000800 -0.000001162 0.000001046 -0.000000491 0.000001198 -0.000000500 -0.000000974 -0.000000324 -0.000001132 0.000000293 -0.000000447 -0.000000185 -0.000000140 -0.000000082 -0.000000445 0.000001048 -0.000000290 0.000000709 -0.000000117 0.000000486 0.000000435 -0.000001028 0.000002256 -0.000000513 -0.000000467 -0.000000928 -0.000000587 -0.000000072 0.000000720 -0.000000795 0.000000116 -0.000001120 -0.000001205 0.000001166 -0.000000206 -0.000000367 0.000000130 0.000000466 -0.000000071 -0.000000219 0.000000576 -0.000000367 -0.000000785 0.000001328 -0.000000082 -0.000000944 0.000000025 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 22-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 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/gas/CONF23/opt-b3 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction pefurazoate CONF23 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2410.9585296710 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 -0.0617881562 0.000000 2.962840 0.000000 2.262608 4.497812 0.000000 2.998562 5.006800 3.606669 0.000000 2.683274 3.228989 3.626648 2.281346 0.000000 4.006924 4.744072 5.382527 2.294134 2.373250 0.000000 5.643241 6.118725 7.330813 4.166602 4.497512 2.222242 0.000000 2.377038 3.383654 2.418479 2.728121 1.476181 3.721488 5.871009 0.000000 3.684322 4.851797 2.863351 3.084936 2.510263 4.403951 6.622512 1.534814 0.000000 3.336062 2.436771 4.661782 3.616333 1.483658 2.834480 4.536727 2.527948 3.686366 0.000000 1.337665 3.525114 1.205090 2.866242 2.524006 4.322388 6.272103 1.540244 2.549189 3.507428 0.000000 2.954697 4.216780 3.997942 1.214231 1.362478 1.437061 3.589275 2.414864 3.095431 2.504528 2.987693 0.000000 4.908969 5.363573 4.327747 4.050261 3.024546 4.760596 6.923346 2.546868 1.529484 3.821315 3.910139 3.751526 0.000000 2.981478 1.368399 4.783239 4.245934 2.490473 3.518597 4.795425 3.232609 4.669531 1.487928 3.631104 3.278674 5.085725 0.000000 1.452819 3.809069 2.779406 3.994455 4.111610 5.094406 6.406912 3.757683 4.934423 4.675410 2.416912 4.179044 6.263630 4.024357 0.000000 2.406924 4.719346 3.902769 3.932649 4.616472 4.859382 5.735881 4.640314 5.745886 5.217569 3.465317 4.246790 7.055531 4.567115 1.519705 0.000000 3.444641 2.235550 5.568656 4.691056 3.449124 3.682034 4.340569 4.327572 5.779553 2.610778 4.434098 3.804641 6.295107 1.360476 4.125225 4.287699 0.000000 3.044720 5.770521 3.919285 3.366197 4.779849 4.749016 5.669472 4.776393 5.536160 5.722010 3.668777 4.080196 6.899115 5.436584 2.544176 1.538701 5.298543 0.000000 5.212052 5.377350 6.501059 3.477803 3.108812 1.389111 2.260452 4.528974 5.036766 3.167102 5.426523 2.556074 4.973714 4.078579 6.382026 6.208754 4.289262 6.133816 0.000000 4.419262 5.309970 6.060888 2.963709 3.514191 1.376797 1.309368 4.775671 5.575009 3.831591 5.034276 2.482365 6.087524 4.072969 5.189334 4.569650 3.760647 4.458474 2.218487 0.000000 3.686729 2.234820 5.781616 5.660121 4.482804 5.006171 5.605625 5.018343 6.545588 3.712253 4.797678 4.934832 7.195868 2.237421 3.950834 4.253163 1.433645 5.559696 5.711185 4.981340 0.000000 3.398494 1.363609 5.158323 5.781021 4.332598 5.478666 6.502313 4.511399 6.023927 3.588883 4.283237 5.088891 6.670348 2.197087 3.749430 4.520123 2.234367 5.825438 6.198672 5.740217 1.359367 0.000000 6.046474 6.155602 7.560930 4.392098 4.298332 2.191647 1.380206 5.744111 6.343903 4.197925 6.470031 3.604424 6.340451 4.793993 7.043598 6.620205 4.629249 6.563713 1.367949 2.144652 6.021599 6.760451 0.000000 4.302991 6.767238 5.356441 3.960814 5.618094 4.927949 5.281347 5.909380 6.620466 6.486874 5.005695 4.654077 7.870748 6.215133 3.874713 2.529991 5.833704 1.502139 6.232642 4.262866 6.201097 6.740918 6.372501 0.000000 4.934196 7.268958 5.947316 3.722531 5.620544 4.471806 4.597774 6.115838 6.661294 6.540890 5.500310 4.439128 7.761367 6.503593 4.844038 3.609321 6.150023 2.509330 5.648841 3.718412 6.777602 7.400373 5.674692 1.332297 0.000000 2.792865 2.855322 2.852908 3.777095 2.058744 4.427263 6.502032 1.094757 2.145179 2.470356 2.093436 3.284005 2.743224 3.040385 4.106526 5.192386 4.297931 5.575514 5.077299 5.489856 4.831058 4.087253 6.288851 6.764786 7.063058 0.000000 3.866475 5.510655 3.062098 2.491585 2.782818 4.146517 6.297428 2.151656 1.091073 4.170630 2.824200 2.854731 2.172080 5.153219 5.014983 5.582595 6.102704 5.093377 4.863017 5.228415 6.948672 6.595176 6.105185 6.048732 5.957142 3.043763 0.000000 3.967502 5.240521 2.526552 3.875181 3.418482 5.408614 7.616246 2.129442 1.091619 4.507688 2.664123 4.040475 2.169557 5.314388 5.034565 6.014552 6.444924 5.819127 6.110215 6.511925 7.028992 6.349886 7.404171 7.037140 7.217759 2.465170 1.751022 0.000000 3.926955 2.580441 4.868725 4.360944 2.084398 3.782293 5.524844 2.647770 3.610204 1.091166 3.834482 3.326310 3.447071 2.126576 5.286426 6.040583 3.404580 6.564537 3.917250 4.876515 4.302212 3.887498 5.023261 7.442150 7.527876 2.205094 4.321374 4.327328 0.000000 4.194342 3.285904 5.603739 3.907499 2.110244 2.472395 3.872601 3.414752 4.370620 1.085406 4.437945 2.696621 4.287611 2.104371 5.485160 5.799369 2.819303 6.217510 2.379416 3.445250 4.126979 4.282258 3.322485 6.766924 6.640040 3.478627 4.710867 5.304112 1.753287 0.000000 5.803787 6.439145 4.926871 4.681125 4.024930 5.548111 7.670783 3.494139 2.170332 4.889795 4.708454 4.565565 1.092403 6.171372 7.097201 7.861690 7.362511 7.550383 5.697823 6.862628 8.271932 7.738526 7.047210 8.493330 8.312998 3.743369 2.509647 2.513709 4.514094 5.284629 0.000000 5.152525 5.080586 4.607791 4.847692 3.388963 5.361893 7.493606 2.814123 2.182528 3.824659 4.188836 4.395381 1.095329 5.001442 6.503685 7.454375 6.307158 7.496513 5.508601 6.691093 7.096605 6.421086 6.866151 8.553050 8.548870 2.561290 3.087239 2.529535 3.165606 4.376913 1.765731 0.000000 5.068346 5.348276 4.925349 3.817812 2.725658 4.059046 6.122473 2.823611 2.181702 3.398938 4.290036 3.316538 1.093556 4.813038 6.484073 7.102635 5.939186 6.941023 4.050593 5.426158 7.003326 6.653852 5.411061 7.749988 7.502189 3.117577 2.539657 3.084570 3.138237 3.608123 1.763950 1.769674 0.000000 2.084758 4.565723 2.331778 4.360539 4.667168 5.828212 7.273062 4.003587 4.937130 5.405608 2.484125 4.751029 6.371094 4.909703 1.090991 2.183205 5.158652 2.745156 7.130449 6.009643 4.962432 4.592313 7.877293 4.202849 5.219215 4.367294 4.985526 4.819598 5.901808 6.278233 7.094226 6.627424 6.748466 0.000000 2.036907 3.415662 3.459269 4.875342 4.582562 5.659716 6.857830 4.262774 5.573663 4.829771 3.061400 4.853869 6.797488 3.896764 1.091565 2.172959 3.901077 3.495629 6.861539 5.729980 3.367336 3.042254 7.476568 4.693774 5.705677 4.354747 5.816148 5.643109 5.362852 5.667561 7.697061 6.880560 7.018730 1.784226 0.000000 3.338729 5.388694 4.684707 5.008003 5.673699 5.866587 6.525417 5.651842 6.766784 6.175050 4.393416 5.331275 8.101373 5.366586 2.136946 1.096246 4.935166 2.177427 7.196979 5.442383 4.635128 4.942443 7.505056 2.859073 4.105650 6.124278 6.619930 6.955579 6.980002 6.754809 8.904137 8.460392 8.179896 2.592120 2.430194 0.000000 2.550885 4.330725 4.483612 3.834316 4.307642 4.224718 4.859684 4.660989 5.886040 4.695234 3.774634 3.892358 7.043333 3.953997 2.132825 1.095133 3.443501 2.176503 5.508723 3.785450 3.541097 4.086187 5.787993 2.709970 3.542539 5.179563 5.756496 6.322430 5.616491 5.135465 7.919959 7.422909 6.935742 3.059911 2.520393 1.758606 0.000000 4.040449 3.274810 6.194556 4.672333 3.749225 3.264965 3.432278 4.865093 6.213344 3.013391 5.036601 3.776534 6.674676 2.176636 4.694606 4.531058 1.079014 5.371647 3.766142 3.065290 2.260822 3.283029 3.829585 5.635590 5.769533 5.006342 6.388584 6.988204 3.938494 2.858507 7.703753 6.809938 6.172269 5.751721 4.616340 5.180763 3.542975 0.000000 2.668546 5.468593 3.337574 2.345808 3.951594 4.030196 5.268545 3.935733 4.556842 5.066134 3.009817 3.195138 5.895208 5.043641 2.700471 2.165430 5.126118 1.091440 5.401240 3.994734 5.607010 5.777492 5.989294 2.130133 2.619850 4.843165 4.042452 4.912585 5.869578 5.557391 6.510742 6.558815 5.927498 2.881325 3.749326 3.069011 2.592424 5.206320 0.000000 3.579634 6.427748 3.899877 4.083962 5.523555 5.730039 6.740991 5.261495 5.872186 6.542419 3.985156 4.919684 7.325572 6.264861 2.841149 2.153511 6.215438 1.098025 7.113074 5.521945 6.342992 6.460973 7.606734 2.138246 3.190443 6.033864 5.414086 5.967450 7.296495 7.127623 7.890724 7.917832 7.505893 2.619342 3.784841 2.445676 3.062968 6.382717 1.759732 0.000000 5.563947 5.515901 6.591746 3.830095 3.102292 2.161940 3.319452 4.414000 4.709910 3.120369 5.558344 2.880082 4.341342 4.315195 6.860149 6.885609 4.800591 6.805395 1.076775 3.243674 6.207618 6.507782 2.242002 7.052449 6.494594 4.863505 4.640434 5.795995 3.595837 2.331708 5.007507 4.829614 3.322125 7.534630 7.328511 7.915370 6.266300 4.447116 5.975979 7.720060 0.000000 4.036066 5.362567 5.731262 2.901528 3.828436 2.147788 2.139076 4.874924 5.748344 4.292716 4.794560 2.753879 6.502734 4.277985 4.543050 3.699095 3.834158 3.541468 3.246087 1.079265 4.833023 5.619782 3.199809 3.231943 2.808437 5.638785 5.348742 6.574218 5.366038 4.136941 7.277730 7.120696 5.987550 5.348455 5.134000 4.506942 2.943422 3.234135 3.254004 4.620995 4.222449 0.000000 4.443508 3.274362 6.570485 6.418157 5.462231 5.724576 5.994311 6.011437 7.538230 4.737076 5.650626 5.769242 8.242019 3.284246 4.413176 4.484822 2.257675 5.872011 6.439167 5.469466 1.078377 2.179114 6.564940 6.358577 7.002278 5.870173 7.882034 8.003941 5.363446 5.056818 9.311764 8.168090 8.034986 5.426380 3.739602 4.636330 3.738099 2.748737 6.097711 6.635922 7.034078 5.210117 0.000000 3.937707 2.075730 5.402545 6.588056 5.158475 6.489666 7.564182 5.089031 6.549083 4.486263 4.715678 5.983832 7.232715 3.191802 4.056785 4.995962 3.303578 6.366929 7.234982 6.767589 2.242379 1.077002 7.832207 7.379518 8.159013 4.542750 7.190770 6.715086 4.622110 5.253860 8.271299 6.886880 7.344781 4.736971 3.166599 5.266955 4.736499 4.336793 6.393226 6.863479 7.497962 6.584503 2.743177 0.000000 7.087577 6.965706 8.597761 5.428973 5.238516 3.247235 2.150848 6.691981 7.232342 4.995260 7.499330 4.633400 7.068730 5.602923 8.091158 7.657323 5.402325 7.614674 2.200833 3.168293 6.779872 7.556433 1.078837 7.349104 6.590100 7.173729 7.015649 8.309218 5.717047 4.014027 7.726329 7.553277 6.071953 8.941803 8.481795 8.512740 6.789997 4.557397 7.056017 8.662097 2.759283 4.186620 7.274349 8.628936 0.000000 4.988955 7.315928 6.122993 5.014114 6.532222 5.818630 5.919329 6.816930 7.612858 7.282006 5.815390 5.630187 8.885826 6.835376 4.304205 2.842067 6.294072 2.212903 7.096602 5.015159 6.478184 7.096803 7.111906 1.090095 2.092985 7.603257 7.088009 7.984803 8.251193 7.561200 9.536013 9.523287 8.775112 4.628024 4.965853 2.750221 3.027464 6.083380 3.088635 2.587376 7.968366 3.943275 6.458979 7.665421 8.046305 0.000000 5.949309 8.137297 7.031623 4.651829 6.519967 5.090647 4.765060 7.123435 7.656272 7.356324 6.564512 5.288453 8.686446 7.299500 5.819641 4.490125 6.817424 3.499352 6.128898 4.145408 7.456077 8.203048 5.930046 2.114104 1.084515 8.065611 6.923142 8.252180 8.376862 7.340848 9.218079 9.494946 8.351752 6.227738 6.617931 4.842136 4.321670 6.306666 3.702179 4.109936 7.035827 3.297876 7.579233 8.986676 6.735708 2.434147 0.000000 4.698841 7.020501 5.545972 2.888519 4.951711 3.780641 4.210830 5.474924 5.862321 5.990775 5.062863 3.690154 6.880784 6.187364 4.906545 3.921068 6.022271 2.760702 4.921838 3.264064 6.820404 7.350164 5.097312 2.109268 1.085978 6.482529 5.088409 6.484145 6.934290 6.058040 7.377128 7.728101 6.587346 5.258074 5.838943 4.637068 3.835646 5.656031 2.414012 3.472415 5.681972 2.569586 7.198918 8.156224 6.033027 3.069353 1.852684 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2276467 0.2185202 0.1958677 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 688 RedAO= T EigKep= 2.15D-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= 712 711 711 712 712 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26070143140 -1165.26070143 1 1.160513366116e+03 -7.538604203526e+03 2.801933394464e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 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. PT425.500S Sat Jan 22 17:05:16 2022 GINC-ESTREMERA PAULAPLA 22-Jan-2022 0 Wavefunction pefurazoate CONF23 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2607014 RMSD=6.391e-09 Dipole=-1.5287938,0.4043524,0.6487418 Quadrupole=-5.3892816,15.6103226,-10.221041,1.3151887,-4.8329017,-3.3746752 PG=C01 [X(C18H23N3O4)] 0 -1.0661701993 -1.1347587199 -0.808581054 0 -2.9294201198 0.0024042296 1.1948115048 0 -1.5038522285 -0.7766229525 -2.9993729343 0 1.3917297519 0.5164775107 -1.2813631472 0 -0.462414152 1.4334978473 -0.3191963255 0 1.6046679833 1.3534079037 0.8440202731 0 2.9619821811 0.9411057855 2.5545940124 0 -1.2567821859 1.1239421285 -1.5242964995 0 -0.8909751574 2.0069001419 -2.7252227605 0 -1.2063431312 1.7057811823 0.9352641828 0 -1.2644635731 -0.3723220394 -1.8896539869 0 0.8494434708 1.0664292379 -0.3444344604 0 -1.096273462 3.4953337604 -2.4393226363 0 -1.717101169 0.4821275392 1.6103394895 0 -1.1033178653 -2.5824419687 -0.9248402789 0 0.2147647949 -3.1322250084 -0.4053218953 0 -1.181915498 -0.3506113741 2.5436223662 0 1.3895570261 -2.8488516582 -1.3577732041 0 1.7894484057 2.5623540485 1.5027568938 0 2.3543439476 0.4170610942 1.5198973866 0 -2.1183178759 -1.4228892914 2.7130574061 0 -3.153926564 -1.1591448103 1.872919104 0 2.6272104339 2.2800728344 2.5466703127 0 2.7214821696 -3.1756817805 -0.7449280411 0 3.7225827771 -2.307112528 -0.6092786135 0 -2.2957847049 1.3336230684 -1.2504339084 0 0.1427845906 1.8050280305 -3.0098793484 0 -1.5147412662 1.6865052564 -3.5618205663 0 -2.0354112541 2.3675929195 0.6797348585 0 -0.5651933328 2.2431537909 1.6268307657 0 -0.8380012495 4.0948164115 -3.3152565948 0 -2.1386890548 3.7137156721 -2.1835406897 0 -0.468788579 3.8340091993 -1.6102103681 0 -1.2875925078 -2.8551969524 -1.9649892727 0 -1.9438095198 -2.9029963519 -0.3065093711 0 0.1032230365 -4.2114970081 -0.2488402984 0 0.4067202902 -2.6891390825 0.5776047137 0 -0.2314441395 -0.2205009347 3.0375328533 0 1.3753816204 -1.7991197523 -1.6562758486 0 1.2465869742 -3.4434161295 -2.269755842 0 1.3523889915 3.4793057347 1.145512671 0 2.3979084633 -0.6113511116 1.1954231622 0 -2.0336827075 -2.2678887226 3.3776704536 0 -4.0863027484 -1.6560087459 1.6637937593 0 3.0194590656 2.9640276583 3.2830369364 0 2.8500859593 -4.1961638769 -0.3838402395 0 4.664966954 -2.5904876836 -0.1534471471 0 3.6279412429 -1.283113686 -0.9583012933 Gaussian 16 22-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 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/gas/CONF23/opt-b3 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum pefurazoate CONF23 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2410.9585296710 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 -0.0617881562 0.000000 2.962840 0.000000 2.262608 4.497812 0.000000 2.998562 5.006800 3.606669 0.000000 2.683274 3.228989 3.626648 2.281346 0.000000 4.006924 4.744072 5.382527 2.294134 2.373250 0.000000 5.643241 6.118725 7.330813 4.166602 4.497512 2.222242 0.000000 2.377038 3.383654 2.418479 2.728121 1.476181 3.721488 5.871009 0.000000 3.684322 4.851797 2.863351 3.084936 2.510263 4.403951 6.622512 1.534814 0.000000 3.336062 2.436771 4.661782 3.616333 1.483658 2.834480 4.536727 2.527948 3.686366 0.000000 1.337665 3.525114 1.205090 2.866242 2.524006 4.322388 6.272103 1.540244 2.549189 3.507428 0.000000 2.954697 4.216780 3.997942 1.214231 1.362478 1.437061 3.589275 2.414864 3.095431 2.504528 2.987693 0.000000 4.908969 5.363573 4.327747 4.050261 3.024546 4.760596 6.923346 2.546868 1.529484 3.821315 3.910139 3.751526 0.000000 2.981478 1.368399 4.783239 4.245934 2.490473 3.518597 4.795425 3.232609 4.669531 1.487928 3.631104 3.278674 5.085725 0.000000 1.452819 3.809069 2.779406 3.994455 4.111610 5.094406 6.406912 3.757683 4.934423 4.675410 2.416912 4.179044 6.263630 4.024357 0.000000 2.406924 4.719346 3.902769 3.932649 4.616472 4.859382 5.735881 4.640314 5.745886 5.217569 3.465317 4.246790 7.055531 4.567115 1.519705 0.000000 3.444641 2.235550 5.568656 4.691056 3.449124 3.682034 4.340569 4.327572 5.779553 2.610778 4.434098 3.804641 6.295107 1.360476 4.125225 4.287699 0.000000 3.044720 5.770521 3.919285 3.366197 4.779849 4.749016 5.669472 4.776393 5.536160 5.722010 3.668777 4.080196 6.899115 5.436584 2.544176 1.538701 5.298543 0.000000 5.212052 5.377350 6.501059 3.477803 3.108812 1.389111 2.260452 4.528974 5.036766 3.167102 5.426523 2.556074 4.973714 4.078579 6.382026 6.208754 4.289262 6.133816 0.000000 4.419262 5.309970 6.060888 2.963709 3.514191 1.376797 1.309368 4.775671 5.575009 3.831591 5.034276 2.482365 6.087524 4.072969 5.189334 4.569650 3.760647 4.458474 2.218487 0.000000 3.686729 2.234820 5.781616 5.660121 4.482804 5.006171 5.605625 5.018343 6.545588 3.712253 4.797678 4.934832 7.195868 2.237421 3.950834 4.253163 1.433645 5.559696 5.711185 4.981340 0.000000 3.398494 1.363609 5.158323 5.781021 4.332598 5.478666 6.502313 4.511399 6.023927 3.588883 4.283237 5.088891 6.670348 2.197087 3.749430 4.520123 2.234367 5.825438 6.198672 5.740217 1.359367 0.000000 6.046474 6.155602 7.560930 4.392098 4.298332 2.191647 1.380206 5.744111 6.343903 4.197925 6.470031 3.604424 6.340451 4.793993 7.043598 6.620205 4.629249 6.563713 1.367949 2.144652 6.021599 6.760451 0.000000 4.302991 6.767238 5.356441 3.960814 5.618094 4.927949 5.281347 5.909380 6.620466 6.486874 5.005695 4.654077 7.870748 6.215133 3.874713 2.529991 5.833704 1.502139 6.232642 4.262866 6.201097 6.740918 6.372501 0.000000 4.934196 7.268958 5.947316 3.722531 5.620544 4.471806 4.597774 6.115838 6.661294 6.540890 5.500310 4.439128 7.761367 6.503593 4.844038 3.609321 6.150023 2.509330 5.648841 3.718412 6.777602 7.400373 5.674692 1.332297 0.000000 2.792865 2.855322 2.852908 3.777095 2.058744 4.427263 6.502032 1.094757 2.145179 2.470356 2.093436 3.284005 2.743224 3.040385 4.106526 5.192386 4.297931 5.575514 5.077299 5.489856 4.831058 4.087253 6.288851 6.764786 7.063058 0.000000 3.866475 5.510655 3.062098 2.491585 2.782818 4.146517 6.297428 2.151656 1.091073 4.170630 2.824200 2.854731 2.172080 5.153219 5.014983 5.582595 6.102704 5.093377 4.863017 5.228415 6.948672 6.595176 6.105185 6.048732 5.957142 3.043763 0.000000 3.967502 5.240521 2.526552 3.875181 3.418482 5.408614 7.616246 2.129442 1.091619 4.507688 2.664123 4.040475 2.169557 5.314388 5.034565 6.014552 6.444924 5.819127 6.110215 6.511925 7.028992 6.349886 7.404171 7.037140 7.217759 2.465170 1.751022 0.000000 3.926955 2.580441 4.868725 4.360944 2.084398 3.782293 5.524844 2.647770 3.610204 1.091166 3.834482 3.326310 3.447071 2.126576 5.286426 6.040583 3.404580 6.564537 3.917250 4.876515 4.302212 3.887498 5.023261 7.442150 7.527876 2.205094 4.321374 4.327328 0.000000 4.194342 3.285904 5.603739 3.907499 2.110244 2.472395 3.872601 3.414752 4.370620 1.085406 4.437945 2.696621 4.287611 2.104371 5.485160 5.799369 2.819303 6.217510 2.379416 3.445250 4.126979 4.282258 3.322485 6.766924 6.640040 3.478627 4.710867 5.304112 1.753287 0.000000 5.803787 6.439145 4.926871 4.681125 4.024930 5.548111 7.670783 3.494139 2.170332 4.889795 4.708454 4.565565 1.092403 6.171372 7.097201 7.861690 7.362511 7.550383 5.697823 6.862628 8.271932 7.738526 7.047210 8.493330 8.312998 3.743369 2.509647 2.513709 4.514094 5.284629 0.000000 5.152525 5.080586 4.607791 4.847692 3.388963 5.361893 7.493606 2.814123 2.182528 3.824659 4.188836 4.395381 1.095329 5.001442 6.503685 7.454375 6.307158 7.496513 5.508601 6.691093 7.096605 6.421086 6.866151 8.553050 8.548870 2.561290 3.087239 2.529535 3.165606 4.376913 1.765731 0.000000 5.068346 5.348276 4.925349 3.817812 2.725658 4.059046 6.122473 2.823611 2.181702 3.398938 4.290036 3.316538 1.093556 4.813038 6.484073 7.102635 5.939186 6.941023 4.050593 5.426158 7.003326 6.653852 5.411061 7.749988 7.502189 3.117577 2.539657 3.084570 3.138237 3.608123 1.763950 1.769674 0.000000 2.084758 4.565723 2.331778 4.360539 4.667168 5.828212 7.273062 4.003587 4.937130 5.405608 2.484125 4.751029 6.371094 4.909703 1.090991 2.183205 5.158652 2.745156 7.130449 6.009643 4.962432 4.592313 7.877293 4.202849 5.219215 4.367294 4.985526 4.819598 5.901808 6.278233 7.094226 6.627424 6.748466 0.000000 2.036907 3.415662 3.459269 4.875342 4.582562 5.659716 6.857830 4.262774 5.573663 4.829771 3.061400 4.853869 6.797488 3.896764 1.091565 2.172959 3.901077 3.495629 6.861539 5.729980 3.367336 3.042254 7.476568 4.693774 5.705677 4.354747 5.816148 5.643109 5.362852 5.667561 7.697061 6.880560 7.018730 1.784226 0.000000 3.338729 5.388694 4.684707 5.008003 5.673699 5.866587 6.525417 5.651842 6.766784 6.175050 4.393416 5.331275 8.101373 5.366586 2.136946 1.096246 4.935166 2.177427 7.196979 5.442383 4.635128 4.942443 7.505056 2.859073 4.105650 6.124278 6.619930 6.955579 6.980002 6.754809 8.904137 8.460392 8.179896 2.592120 2.430194 0.000000 2.550885 4.330725 4.483612 3.834316 4.307642 4.224718 4.859684 4.660989 5.886040 4.695234 3.774634 3.892358 7.043333 3.953997 2.132825 1.095133 3.443501 2.176503 5.508723 3.785450 3.541097 4.086187 5.787993 2.709970 3.542539 5.179563 5.756496 6.322430 5.616491 5.135465 7.919959 7.422909 6.935742 3.059911 2.520393 1.758606 0.000000 4.040449 3.274810 6.194556 4.672333 3.749225 3.264965 3.432278 4.865093 6.213344 3.013391 5.036601 3.776534 6.674676 2.176636 4.694606 4.531058 1.079014 5.371647 3.766142 3.065290 2.260822 3.283029 3.829585 5.635590 5.769533 5.006342 6.388584 6.988204 3.938494 2.858507 7.703753 6.809938 6.172269 5.751721 4.616340 5.180763 3.542975 0.000000 2.668546 5.468593 3.337574 2.345808 3.951594 4.030196 5.268545 3.935733 4.556842 5.066134 3.009817 3.195138 5.895208 5.043641 2.700471 2.165430 5.126118 1.091440 5.401240 3.994734 5.607010 5.777492 5.989294 2.130133 2.619850 4.843165 4.042452 4.912585 5.869578 5.557391 6.510742 6.558815 5.927498 2.881325 3.749326 3.069011 2.592424 5.206320 0.000000 3.579634 6.427748 3.899877 4.083962 5.523555 5.730039 6.740991 5.261495 5.872186 6.542419 3.985156 4.919684 7.325572 6.264861 2.841149 2.153511 6.215438 1.098025 7.113074 5.521945 6.342992 6.460973 7.606734 2.138246 3.190443 6.033864 5.414086 5.967450 7.296495 7.127623 7.890724 7.917832 7.505893 2.619342 3.784841 2.445676 3.062968 6.382717 1.759732 0.000000 5.563947 5.515901 6.591746 3.830095 3.102292 2.161940 3.319452 4.414000 4.709910 3.120369 5.558344 2.880082 4.341342 4.315195 6.860149 6.885609 4.800591 6.805395 1.076775 3.243674 6.207618 6.507782 2.242002 7.052449 6.494594 4.863505 4.640434 5.795995 3.595837 2.331708 5.007507 4.829614 3.322125 7.534630 7.328511 7.915370 6.266300 4.447116 5.975979 7.720060 0.000000 4.036066 5.362567 5.731262 2.901528 3.828436 2.147788 2.139076 4.874924 5.748344 4.292716 4.794560 2.753879 6.502734 4.277985 4.543050 3.699095 3.834158 3.541468 3.246087 1.079265 4.833023 5.619782 3.199809 3.231943 2.808437 5.638785 5.348742 6.574218 5.366038 4.136941 7.277730 7.120696 5.987550 5.348455 5.134000 4.506942 2.943422 3.234135 3.254004 4.620995 4.222449 0.000000 4.443508 3.274362 6.570485 6.418157 5.462231 5.724576 5.994311 6.011437 7.538230 4.737076 5.650626 5.769242 8.242019 3.284246 4.413176 4.484822 2.257675 5.872011 6.439167 5.469466 1.078377 2.179114 6.564940 6.358577 7.002278 5.870173 7.882034 8.003941 5.363446 5.056818 9.311764 8.168090 8.034986 5.426380 3.739602 4.636330 3.738099 2.748737 6.097711 6.635922 7.034078 5.210117 0.000000 3.937707 2.075730 5.402545 6.588056 5.158475 6.489666 7.564182 5.089031 6.549083 4.486263 4.715678 5.983832 7.232715 3.191802 4.056785 4.995962 3.303578 6.366929 7.234982 6.767589 2.242379 1.077002 7.832207 7.379518 8.159013 4.542750 7.190770 6.715086 4.622110 5.253860 8.271299 6.886880 7.344781 4.736971 3.166599 5.266955 4.736499 4.336793 6.393226 6.863479 7.497962 6.584503 2.743177 0.000000 7.087577 6.965706 8.597761 5.428973 5.238516 3.247235 2.150848 6.691981 7.232342 4.995260 7.499330 4.633400 7.068730 5.602923 8.091158 7.657323 5.402325 7.614674 2.200833 3.168293 6.779872 7.556433 1.078837 7.349104 6.590100 7.173729 7.015649 8.309218 5.717047 4.014027 7.726329 7.553277 6.071953 8.941803 8.481795 8.512740 6.789997 4.557397 7.056017 8.662097 2.759283 4.186620 7.274349 8.628936 0.000000 4.988955 7.315928 6.122993 5.014114 6.532222 5.818630 5.919329 6.816930 7.612858 7.282006 5.815390 5.630187 8.885826 6.835376 4.304205 2.842067 6.294072 2.212903 7.096602 5.015159 6.478184 7.096803 7.111906 1.090095 2.092985 7.603257 7.088009 7.984803 8.251193 7.561200 9.536013 9.523287 8.775112 4.628024 4.965853 2.750221 3.027464 6.083380 3.088635 2.587376 7.968366 3.943275 6.458979 7.665421 8.046305 0.000000 5.949309 8.137297 7.031623 4.651829 6.519967 5.090647 4.765060 7.123435 7.656272 7.356324 6.564512 5.288453 8.686446 7.299500 5.819641 4.490125 6.817424 3.499352 6.128898 4.145408 7.456077 8.203048 5.930046 2.114104 1.084515 8.065611 6.923142 8.252180 8.376862 7.340848 9.218079 9.494946 8.351752 6.227738 6.617931 4.842136 4.321670 6.306666 3.702179 4.109936 7.035827 3.297876 7.579233 8.986676 6.735708 2.434147 0.000000 4.698841 7.020501 5.545972 2.888519 4.951711 3.780641 4.210830 5.474924 5.862321 5.990775 5.062863 3.690154 6.880784 6.187364 4.906545 3.921068 6.022271 2.760702 4.921838 3.264064 6.820404 7.350164 5.097312 2.109268 1.085978 6.482529 5.088409 6.484145 6.934290 6.058040 7.377128 7.728101 6.587346 5.258074 5.838943 4.637068 3.835646 5.656031 2.414012 3.472415 5.681972 2.569586 7.198918 8.156224 6.033027 3.069353 1.852684 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2276467 0.2185202 0.1958677 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 688 RedAO= T EigKep= 2.15D-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= 712 711 711 712 712 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26070143140 -1165.26070143 1 1.160513366116e+03 -7.538604203526e+03 2.801933394464e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.0912 243.53 0.0489 0.000 91 93 0.29256 92 93 0.61730 92 94 0.10825 -1165.07360414 2 Singlet-A 5.1480 240.84 0.0170 0.000 91 93 0.61493 92 93 -0.29529 3 Singlet-A 5.4823 226.15 0.0031 0.000 90 93 0.68695 4 Singlet-A 5.5803 222.18 0.0755 0.000 89 93 -0.31528 91 94 -0.14235 92 94 0.52902 92 95 -0.16878 92 96 -0.10545 5 Singlet-A 5.6052 221.19 0.0166 0.000 83 93 -0.17087 87 93 -0.20528 88 93 0.37876 88 94 0.10977 91 94 0.42737 92 94 0.12930 6 Singlet-A 5.6614 219.00 0.0148 0.000 83 93 0.13002 87 93 0.11392 88 93 -0.33316 88 94 -0.10743 89 93 -0.17889 91 94 0.52106 7 Singlet-A 5.6965 217.65 0.0177 0.000 83 93 0.11868 88 93 -0.15702 89 93 0.34975 89 94 -0.15956 89 95 0.22136 89 96 0.19546 89 97 -0.14506 92 94 0.28553 92 95 -0.20046 8 Singlet-A 5.7552 215.43 0.0498 0.000 89 93 -0.13672 89 95 0.16081 89 96 0.13419 92 94 0.15930 92 95 0.55452 92 96 -0.15093 92 97 -0.11406 9 Singlet-A 5.8056 213.56 0.0075 0.000 83 93 -0.11228 87 93 -0.22505 88 93 -0.11149 89 93 -0.29185 89 94 -0.16209 89 95 0.17825 89 96 0.14092 89 97 -0.10900 92 95 -0.11292 92 96 0.39564 10 Singlet-A 5.8624 211.49 0.0163 0.000 83 93 0.10516 86 93 -0.10368 87 93 0.36495 87 94 0.11306 88 93 0.21412 88 94 0.11971 92 94 0.10964 92 95 0.13560 92 96 0.40828 92 98 0.14705 PT27734.800S Sat Jan 22 18:03:10 2022 GINC-ESTREMERA PAULAPLA 22-Jan-2022 0 Electronic spectrum pefurazoate CONF23 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2607014 RMSD=6.397e-09 PG=C01 [X(C18H23N3O4)] 0 -1.0661701993 -1.1347587199 -0.808581054 0 -2.9294201198 0.0024042296 1.1948115048 0 -1.5038522285 -0.7766229525 -2.9993729343 0 1.3917297519 0.5164775107 -1.2813631472 0 -0.462414152 1.4334978473 -0.3191963255 0 1.6046679833 1.3534079037 0.8440202731 0 2.9619821811 0.9411057855 2.5545940124 0 -1.2567821859 1.1239421285 -1.5242964995 0 -0.8909751574 2.0069001419 -2.7252227605 0 -1.2063431312 1.7057811823 0.9352641828 0 -1.2644635731 -0.3723220394 -1.8896539869 0 0.8494434708 1.0664292379 -0.3444344604 0 -1.096273462 3.4953337604 -2.4393226363 0 -1.717101169 0.4821275392 1.6103394895 0 -1.1033178653 -2.5824419687 -0.9248402789 0 0.2147647949 -3.1322250084 -0.4053218953 0 -1.181915498 -0.3506113741 2.5436223662 0 1.3895570261 -2.8488516582 -1.3577732041 0 1.7894484057 2.5623540485 1.5027568938 0 2.3543439476 0.4170610942 1.5198973866 0 -2.1183178759 -1.4228892914 2.7130574061 0 -3.153926564 -1.1591448103 1.872919104 0 2.6272104339 2.2800728344 2.5466703127 0 2.7214821696 -3.1756817805 -0.7449280411 0 3.7225827771 -2.307112528 -0.6092786135 0 -2.2957847049 1.3336230684 -1.2504339084 0 0.1427845906 1.8050280305 -3.0098793484 0 -1.5147412662 1.6865052564 -3.5618205663 0 -2.0354112541 2.3675929195 0.6797348585 0 -0.5651933328 2.2431537909 1.6268307657 0 -0.8380012495 4.0948164115 -3.3152565948 0 -2.1386890548 3.7137156721 -2.1835406897 0 -0.468788579 3.8340091993 -1.6102103681 0 -1.2875925078 -2.8551969524 -1.9649892727 0 -1.9438095198 -2.9029963519 -0.3065093711 0 0.1032230365 -4.2114970081 -0.2488402984 0 0.4067202902 -2.6891390825 0.5776047137 0 -0.2314441395 -0.2205009347 3.0375328533 0 1.3753816204 -1.7991197523 -1.6562758486 0 1.2465869742 -3.4434161295 -2.269755842 0 1.3523889915 3.4793057347 1.145512671 0 2.3979084633 -0.6113511116 1.1954231622 0 -2.0336827075 -2.2678887226 3.3776704536 0 -4.0863027484 -1.6560087459 1.6637937593 0 3.0194590656 2.9640276583 3.2830369364 0 2.8500859593 -4.1961638769 -0.3838402395 0 4.664966954 -2.5904876836 -0.1534471471 0 3.6279412429 -1.283113686 -0.9583012933 Gaussian 16 22-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 geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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/gas/CONF23/opt-b3 #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point pefurazoate CONF23 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2410.9585296710 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 -0.0617881562 0.000000 2.962840 0.000000 2.262608 4.497812 0.000000 2.998562 5.006800 3.606669 0.000000 2.683274 3.228989 3.626648 2.281346 0.000000 4.006924 4.744072 5.382527 2.294134 2.373250 0.000000 5.643241 6.118725 7.330813 4.166602 4.497512 2.222242 0.000000 2.377038 3.383654 2.418479 2.728121 1.476181 3.721488 5.871009 0.000000 3.684322 4.851797 2.863351 3.084936 2.510263 4.403951 6.622512 1.534814 0.000000 3.336062 2.436771 4.661782 3.616333 1.483658 2.834480 4.536727 2.527948 3.686366 0.000000 1.337665 3.525114 1.205090 2.866242 2.524006 4.322388 6.272103 1.540244 2.549189 3.507428 0.000000 2.954697 4.216780 3.997942 1.214231 1.362478 1.437061 3.589275 2.414864 3.095431 2.504528 2.987693 0.000000 4.908969 5.363573 4.327747 4.050261 3.024546 4.760596 6.923346 2.546868 1.529484 3.821315 3.910139 3.751526 0.000000 2.981478 1.368399 4.783239 4.245934 2.490473 3.518597 4.795425 3.232609 4.669531 1.487928 3.631104 3.278674 5.085725 0.000000 1.452819 3.809069 2.779406 3.994455 4.111610 5.094406 6.406912 3.757683 4.934423 4.675410 2.416912 4.179044 6.263630 4.024357 0.000000 2.406924 4.719346 3.902769 3.932649 4.616472 4.859382 5.735881 4.640314 5.745886 5.217569 3.465317 4.246790 7.055531 4.567115 1.519705 0.000000 3.444641 2.235550 5.568656 4.691056 3.449124 3.682034 4.340569 4.327572 5.779553 2.610778 4.434098 3.804641 6.295107 1.360476 4.125225 4.287699 0.000000 3.044720 5.770521 3.919285 3.366197 4.779849 4.749016 5.669472 4.776393 5.536160 5.722010 3.668777 4.080196 6.899115 5.436584 2.544176 1.538701 5.298543 0.000000 5.212052 5.377350 6.501059 3.477803 3.108812 1.389111 2.260452 4.528974 5.036766 3.167102 5.426523 2.556074 4.973714 4.078579 6.382026 6.208754 4.289262 6.133816 0.000000 4.419262 5.309970 6.060888 2.963709 3.514191 1.376797 1.309368 4.775671 5.575009 3.831591 5.034276 2.482365 6.087524 4.072969 5.189334 4.569650 3.760647 4.458474 2.218487 0.000000 3.686729 2.234820 5.781616 5.660121 4.482804 5.006171 5.605625 5.018343 6.545588 3.712253 4.797678 4.934832 7.195868 2.237421 3.950834 4.253163 1.433645 5.559696 5.711185 4.981340 0.000000 3.398494 1.363609 5.158323 5.781021 4.332598 5.478666 6.502313 4.511399 6.023927 3.588883 4.283237 5.088891 6.670348 2.197087 3.749430 4.520123 2.234367 5.825438 6.198672 5.740217 1.359367 0.000000 6.046474 6.155602 7.560930 4.392098 4.298332 2.191647 1.380206 5.744111 6.343903 4.197925 6.470031 3.604424 6.340451 4.793993 7.043598 6.620205 4.629249 6.563713 1.367949 2.144652 6.021599 6.760451 0.000000 4.302991 6.767238 5.356441 3.960814 5.618094 4.927949 5.281347 5.909380 6.620466 6.486874 5.005695 4.654077 7.870748 6.215133 3.874713 2.529991 5.833704 1.502139 6.232642 4.262866 6.201097 6.740918 6.372501 0.000000 4.934196 7.268958 5.947316 3.722531 5.620544 4.471806 4.597774 6.115838 6.661294 6.540890 5.500310 4.439128 7.761367 6.503593 4.844038 3.609321 6.150023 2.509330 5.648841 3.718412 6.777602 7.400373 5.674692 1.332297 0.000000 2.792865 2.855322 2.852908 3.777095 2.058744 4.427263 6.502032 1.094757 2.145179 2.470356 2.093436 3.284005 2.743224 3.040385 4.106526 5.192386 4.297931 5.575514 5.077299 5.489856 4.831058 4.087253 6.288851 6.764786 7.063058 0.000000 3.866475 5.510655 3.062098 2.491585 2.782818 4.146517 6.297428 2.151656 1.091073 4.170630 2.824200 2.854731 2.172080 5.153219 5.014983 5.582595 6.102704 5.093377 4.863017 5.228415 6.948672 6.595176 6.105185 6.048732 5.957142 3.043763 0.000000 3.967502 5.240521 2.526552 3.875181 3.418482 5.408614 7.616246 2.129442 1.091619 4.507688 2.664123 4.040475 2.169557 5.314388 5.034565 6.014552 6.444924 5.819127 6.110215 6.511925 7.028992 6.349886 7.404171 7.037140 7.217759 2.465170 1.751022 0.000000 3.926955 2.580441 4.868725 4.360944 2.084398 3.782293 5.524844 2.647770 3.610204 1.091166 3.834482 3.326310 3.447071 2.126576 5.286426 6.040583 3.404580 6.564537 3.917250 4.876515 4.302212 3.887498 5.023261 7.442150 7.527876 2.205094 4.321374 4.327328 0.000000 4.194342 3.285904 5.603739 3.907499 2.110244 2.472395 3.872601 3.414752 4.370620 1.085406 4.437945 2.696621 4.287611 2.104371 5.485160 5.799369 2.819303 6.217510 2.379416 3.445250 4.126979 4.282258 3.322485 6.766924 6.640040 3.478627 4.710867 5.304112 1.753287 0.000000 5.803787 6.439145 4.926871 4.681125 4.024930 5.548111 7.670783 3.494139 2.170332 4.889795 4.708454 4.565565 1.092403 6.171372 7.097201 7.861690 7.362511 7.550383 5.697823 6.862628 8.271932 7.738526 7.047210 8.493330 8.312998 3.743369 2.509647 2.513709 4.514094 5.284629 0.000000 5.152525 5.080586 4.607791 4.847692 3.388963 5.361893 7.493606 2.814123 2.182528 3.824659 4.188836 4.395381 1.095329 5.001442 6.503685 7.454375 6.307158 7.496513 5.508601 6.691093 7.096605 6.421086 6.866151 8.553050 8.548870 2.561290 3.087239 2.529535 3.165606 4.376913 1.765731 0.000000 5.068346 5.348276 4.925349 3.817812 2.725658 4.059046 6.122473 2.823611 2.181702 3.398938 4.290036 3.316538 1.093556 4.813038 6.484073 7.102635 5.939186 6.941023 4.050593 5.426158 7.003326 6.653852 5.411061 7.749988 7.502189 3.117577 2.539657 3.084570 3.138237 3.608123 1.763950 1.769674 0.000000 2.084758 4.565723 2.331778 4.360539 4.667168 5.828212 7.273062 4.003587 4.937130 5.405608 2.484125 4.751029 6.371094 4.909703 1.090991 2.183205 5.158652 2.745156 7.130449 6.009643 4.962432 4.592313 7.877293 4.202849 5.219215 4.367294 4.985526 4.819598 5.901808 6.278233 7.094226 6.627424 6.748466 0.000000 2.036907 3.415662 3.459269 4.875342 4.582562 5.659716 6.857830 4.262774 5.573663 4.829771 3.061400 4.853869 6.797488 3.896764 1.091565 2.172959 3.901077 3.495629 6.861539 5.729980 3.367336 3.042254 7.476568 4.693774 5.705677 4.354747 5.816148 5.643109 5.362852 5.667561 7.697061 6.880560 7.018730 1.784226 0.000000 3.338729 5.388694 4.684707 5.008003 5.673699 5.866587 6.525417 5.651842 6.766784 6.175050 4.393416 5.331275 8.101373 5.366586 2.136946 1.096246 4.935166 2.177427 7.196979 5.442383 4.635128 4.942443 7.505056 2.859073 4.105650 6.124278 6.619930 6.955579 6.980002 6.754809 8.904137 8.460392 8.179896 2.592120 2.430194 0.000000 2.550885 4.330725 4.483612 3.834316 4.307642 4.224718 4.859684 4.660989 5.886040 4.695234 3.774634 3.892358 7.043333 3.953997 2.132825 1.095133 3.443501 2.176503 5.508723 3.785450 3.541097 4.086187 5.787993 2.709970 3.542539 5.179563 5.756496 6.322430 5.616491 5.135465 7.919959 7.422909 6.935742 3.059911 2.520393 1.758606 0.000000 4.040449 3.274810 6.194556 4.672333 3.749225 3.264965 3.432278 4.865093 6.213344 3.013391 5.036601 3.776534 6.674676 2.176636 4.694606 4.531058 1.079014 5.371647 3.766142 3.065290 2.260822 3.283029 3.829585 5.635590 5.769533 5.006342 6.388584 6.988204 3.938494 2.858507 7.703753 6.809938 6.172269 5.751721 4.616340 5.180763 3.542975 0.000000 2.668546 5.468593 3.337574 2.345808 3.951594 4.030196 5.268545 3.935733 4.556842 5.066134 3.009817 3.195138 5.895208 5.043641 2.700471 2.165430 5.126118 1.091440 5.401240 3.994734 5.607010 5.777492 5.989294 2.130133 2.619850 4.843165 4.042452 4.912585 5.869578 5.557391 6.510742 6.558815 5.927498 2.881325 3.749326 3.069011 2.592424 5.206320 0.000000 3.579634 6.427748 3.899877 4.083962 5.523555 5.730039 6.740991 5.261495 5.872186 6.542419 3.985156 4.919684 7.325572 6.264861 2.841149 2.153511 6.215438 1.098025 7.113074 5.521945 6.342992 6.460973 7.606734 2.138246 3.190443 6.033864 5.414086 5.967450 7.296495 7.127623 7.890724 7.917832 7.505893 2.619342 3.784841 2.445676 3.062968 6.382717 1.759732 0.000000 5.563947 5.515901 6.591746 3.830095 3.102292 2.161940 3.319452 4.414000 4.709910 3.120369 5.558344 2.880082 4.341342 4.315195 6.860149 6.885609 4.800591 6.805395 1.076775 3.243674 6.207618 6.507782 2.242002 7.052449 6.494594 4.863505 4.640434 5.795995 3.595837 2.331708 5.007507 4.829614 3.322125 7.534630 7.328511 7.915370 6.266300 4.447116 5.975979 7.720060 0.000000 4.036066 5.362567 5.731262 2.901528 3.828436 2.147788 2.139076 4.874924 5.748344 4.292716 4.794560 2.753879 6.502734 4.277985 4.543050 3.699095 3.834158 3.541468 3.246087 1.079265 4.833023 5.619782 3.199809 3.231943 2.808437 5.638785 5.348742 6.574218 5.366038 4.136941 7.277730 7.120696 5.987550 5.348455 5.134000 4.506942 2.943422 3.234135 3.254004 4.620995 4.222449 0.000000 4.443508 3.274362 6.570485 6.418157 5.462231 5.724576 5.994311 6.011437 7.538230 4.737076 5.650626 5.769242 8.242019 3.284246 4.413176 4.484822 2.257675 5.872011 6.439167 5.469466 1.078377 2.179114 6.564940 6.358577 7.002278 5.870173 7.882034 8.003941 5.363446 5.056818 9.311764 8.168090 8.034986 5.426380 3.739602 4.636330 3.738099 2.748737 6.097711 6.635922 7.034078 5.210117 0.000000 3.937707 2.075730 5.402545 6.588056 5.158475 6.489666 7.564182 5.089031 6.549083 4.486263 4.715678 5.983832 7.232715 3.191802 4.056785 4.995962 3.303578 6.366929 7.234982 6.767589 2.242379 1.077002 7.832207 7.379518 8.159013 4.542750 7.190770 6.715086 4.622110 5.253860 8.271299 6.886880 7.344781 4.736971 3.166599 5.266955 4.736499 4.336793 6.393226 6.863479 7.497962 6.584503 2.743177 0.000000 7.087577 6.965706 8.597761 5.428973 5.238516 3.247235 2.150848 6.691981 7.232342 4.995260 7.499330 4.633400 7.068730 5.602923 8.091158 7.657323 5.402325 7.614674 2.200833 3.168293 6.779872 7.556433 1.078837 7.349104 6.590100 7.173729 7.015649 8.309218 5.717047 4.014027 7.726329 7.553277 6.071953 8.941803 8.481795 8.512740 6.789997 4.557397 7.056017 8.662097 2.759283 4.186620 7.274349 8.628936 0.000000 4.988955 7.315928 6.122993 5.014114 6.532222 5.818630 5.919329 6.816930 7.612858 7.282006 5.815390 5.630187 8.885826 6.835376 4.304205 2.842067 6.294072 2.212903 7.096602 5.015159 6.478184 7.096803 7.111906 1.090095 2.092985 7.603257 7.088009 7.984803 8.251193 7.561200 9.536013 9.523287 8.775112 4.628024 4.965853 2.750221 3.027464 6.083380 3.088635 2.587376 7.968366 3.943275 6.458979 7.665421 8.046305 0.000000 5.949309 8.137297 7.031623 4.651829 6.519967 5.090647 4.765060 7.123435 7.656272 7.356324 6.564512 5.288453 8.686446 7.299500 5.819641 4.490125 6.817424 3.499352 6.128898 4.145408 7.456077 8.203048 5.930046 2.114104 1.084515 8.065611 6.923142 8.252180 8.376862 7.340848 9.218079 9.494946 8.351752 6.227738 6.617931 4.842136 4.321670 6.306666 3.702179 4.109936 7.035827 3.297876 7.579233 8.986676 6.735708 2.434147 0.000000 4.698841 7.020501 5.545972 2.888519 4.951711 3.780641 4.210830 5.474924 5.862321 5.990775 5.062863 3.690154 6.880784 6.187364 4.906545 3.921068 6.022271 2.760702 4.921838 3.264064 6.820404 7.350164 5.097312 2.109268 1.085978 6.482529 5.088409 6.484145 6.934290 6.058040 7.377128 7.728101 6.587346 5.258074 5.838943 4.637068 3.835646 5.656031 2.414012 3.472415 5.681972 2.569586 7.198918 8.156224 6.033027 3.069353 1.852684 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2276467 0.2185202 0.1958677 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= 1.39D-06 NBF= 1182 NBsUse= 1182 1.00D-06 EigRej= -1.00D+00 NBFU= 1182 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= 1316 1312 1315 1315 1316 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26690979900 -1165.34109033174 -0.074180532743 -1165.34103671291 0.000053618825 -1165.34137645553 -0.000339742615 -1165.34145698796 -0.000080532434 -1165.34146508069 -0.000008092729 -1165.34146566110 -0.000000580407 -1165.34146572517 -0.000000064065 -1165.34146573203 -0.000000006866 -1165.34146573324 -0.000000001209 -1165.34146573314 0.000000000105 -1165.34146573327 -0.000000000133 -1165.34146573 12 1.160164036074e+03 -7.538682728403e+03 2.802280485081e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321049424 LenY= 11319273868 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. PT25183.700S Sat Jan 22 18:55:43 2022 GINC-ESTREMERA PAULAPLA 22-Jan-2022 0 Single Point pefurazoate CONF23 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.3414657 RMSD=1.914e-09 Dipole=-1.5029177,0.4111088,0.6447658 Quadrupole=-5.1595372,15.1831367,-10.0235995,1.1722274,-4.8735306,-3.321394 PG=C01 [X(C18H23N3O4)] 0 -1.0661701993 -1.1347587199 -0.808581054 0 -2.9294201198 0.0024042296 1.1948115048 0 -1.5038522285 -0.7766229525 -2.9993729343 0 1.3917297519 0.5164775107 -1.2813631472 0 -0.462414152 1.4334978473 -0.3191963255 0 1.6046679833 1.3534079037 0.8440202731 0 2.9619821811 0.9411057855 2.5545940124 0 -1.2567821859 1.1239421285 -1.5242964995 0 -0.8909751574 2.0069001419 -2.7252227605 0 -1.2063431312 1.7057811823 0.9352641828 0 -1.2644635731 -0.3723220394 -1.8896539869 0 0.8494434708 1.0664292379 -0.3444344604 0 -1.096273462 3.4953337604 -2.4393226363 0 -1.717101169 0.4821275392 1.6103394895 0 -1.1033178653 -2.5824419687 -0.9248402789 0 0.2147647949 -3.1322250084 -0.4053218953 0 -1.181915498 -0.3506113741 2.5436223662 0 1.3895570261 -2.8488516582 -1.3577732041 0 1.7894484057 2.5623540485 1.5027568938 0 2.3543439476 0.4170610942 1.5198973866 0 -2.1183178759 -1.4228892914 2.7130574061 0 -3.153926564 -1.1591448103 1.872919104 0 2.6272104339 2.2800728344 2.5466703127 0 2.7214821696 -3.1756817805 -0.7449280411 0 3.7225827771 -2.307112528 -0.6092786135 0 -2.2957847049 1.3336230684 -1.2504339084 0 0.1427845906 1.8050280305 -3.0098793484 0 -1.5147412662 1.6865052564 -3.5618205663 0 -2.0354112541 2.3675929195 0.6797348585 0 -0.5651933328 2.2431537909 1.6268307657 0 -0.8380012495 4.0948164115 -3.3152565948 0 -2.1386890548 3.7137156721 -2.1835406897 0 -0.468788579 3.8340091993 -1.6102103681 0 -1.2875925078 -2.8551969524 -1.9649892727 0 -1.9438095198 -2.9029963519 -0.3065093711 0 0.1032230365 -4.2114970081 -0.2488402984 0 0.4067202902 -2.6891390825 0.5776047137 0 -0.2314441395 -0.2205009347 3.0375328533 0 1.3753816204 -1.7991197523 -1.6562758486 0 1.2465869742 -3.4434161295 -2.269755842 0 1.3523889915 3.4793057347 1.145512671 0 2.3979084633 -0.6113511116 1.1954231622 0 -2.0336827075 -2.2678887226 3.3776704536 0 -4.0863027484 -1.6560087459 1.6637937593 0 3.0194590656 2.9640276583 3.2830369364 0 2.8500859593 -4.1961638769 -0.3838402395 0 4.664966954 -2.5904876836 -0.1534471471 0 3.6279412429 -1.283113686 -0.9583012933