Gaussian 16 GINC-CIBELES2-332 PAULAPLA Optimization pefurazoate CONF1003 water EM64L-G16RevC.01 10-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 92 92 688 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C18H23N3O4)] C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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-3046148/Gau-14834.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3046148/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/water/CONF1003/opt-b #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 CONF1003 water 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 1.315 1.4339 1.3548 1.3511 1.2071 1.2146 1.4604 1.4675 1.3413 1.4187 1.3752 1.3613 1.3004 1.3718 1.5257 1.5247 1.0948 1.5202 1.0909 1.0905 1.4847 1.0897 1.0857 1.0897 1.0916 1.0905 1.3548 1.5116 1.0926 1.0926 1.5197 1.0921 1.0937 1.4275 1.0788 1.4961 1.0956 1.0957 1.358 1.077 1.0789 1.3523 1.0777 1.0781 1.0778 1.3286 1.086 1.0824 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 48 118.8445 107.543 117.7719 116.2551 123.8929 124.544 128.1451 107.0771 105.6628 112.8481 111.4502 106.3789 112.7388 107.4564 105.3881 112.3082 110.4825 107.7557 110.2174 109.1952 106.6842 113.3854 107.2538 110.715 110.8889 108.9124 105.386 124.4975 111.6236 123.7848 124.4188 119.2105 116.3702 110.2838 111.5916 112.263 107.4414 107.1441 107.8904 117.7861 109.7921 132.4079 107.1808 109.6777 109.6372 110.9418 111.291 108.1051 111.2198 109.4486 109.1572 110.062 109.9648 106.885 106.3742 126.4009 127.2246 114.8978 110.1224 109.9412 108.2792 108.2063 104.8971 105.1406 122.6531 132.1891 111.5061 122.5192 125.9298 106.0255 127.5411 126.4334 110.2638 116.6269 133.1061 110.6001 121.8683 127.5316 126.6559 114.9066 118.4375 120.9273 122.9495 116.1232 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8.8581 -174.5631 168.8192 48.2962 -70.2597 178.5226 -0.291 0.3866 179.8168 117.8088 -114.1516 0.2194 -77.933 50.1066 164.4776 83.2005 -39.5566 -154.0429 -79.7546 157.4882 43.0019 -1.601 178.6698 161.5896 -18.1396 -51.7027 128.0414 122.0086 -58.2473 175.8671 -5.4719 1.0376 179.6986 -175.1449 2.5508 -0.561 177.1347 -0.1639 -177.7643 0.8541 -179.1808 -57.0889 66.4161 -177.3899 175.5483 -60.9467 55.2473 59.8647 -176.6303 -60.4363 36.5627 -146.8297 164.6609 -18.7315 -78.422 98.1856 -176.3486 -57.0126 64.253 59.9983 179.3343 -59.4001 -56.8846 62.4514 -176.283 -83.9002 94.5878 36.8249 -144.6871 152.3527 -29.1593 0.0918 -179.7509 -178.4866 1.6707 -179.6988 58.4742 -58.1896 -59.9822 178.1908 61.527 60.4323 -61.3947 -178.0585 -179.8091 57.6216 -57.4777 -58.3395 179.0912 63.9919 59.1542 -63.4151 -178.5144 0.1405 -179.8876 179.9815 -0.0467 0.5467 -179.5217 124.1021 -55.9663 -122.7157 57.216 -1.1784 178.859 -179.6567 0.3806 -0.3251 -179.6275 179.7026 0.4002 179.8857 0.0083 -0.0439 -179.9212 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2376.2319955938 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= 1.33D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Berny optimization. local minimum Step number 21 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00199 0.00317 0.00476 0.00493 0.00534 0.00602 0.00748 0.00828 0.00995 0.01092 0.01455 0.01598 0.01734 0.01755 0.02033 0.02100 0.02265 0.02288 0.02383 0.02463 0.02529 0.02630 0.02689 0.02699 0.03029 0.03034 0.03078 0.03650 0.03753 0.03814 0.03909 0.04432 0.04888 0.04920 0.04989 0.05243 0.05393 0.05427 0.05532 0.05547 0.05671 0.05840 0.05917 0.06635 0.06711 0.07480 0.08227 0.08280 0.09940 0.10325 0.11232 0.12084 0.12140 0.13194 0.13475 0.13628 0.15137 0.15731 0.15931 0.15969 0.15993 0.15999 0.16000 0.16002 0.16007 0.16011 0.16035 0.16092 0.19218 0.20322 0.21107 0.21789 0.21982 0.22011 0.22187 0.22322 0.23001 0.23381 0.23493 0.23757 0.24057 0.24823 0.24974 0.25058 0.25514 0.27574 0.29207 0.29879 0.30321 0.30565 0.31212 0.31766 0.33358 0.33706 0.34170 0.34216 0.34305 0.34420 0.34470 0.34524 0.34564 0.34645 0.34756 0.34771 0.34783 0.34818 0.35025 0.35264 0.35311 0.35631 0.35744 0.35897 0.36136 0.36152 0.36231 0.36263 0.36356 0.36431 0.37205 0.38125 0.39830 0.42386 0.44849 0.46002 0.46886 0.47341 0.50875 0.51299 0.53544 0.54056 0.57657 0.59948 0.62027 0.64416 0.69431 0.98613 1.00573 1.44130 -6.03618699e-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 2.50923 2.75379 2.60546 2.59358 2.29830 2.31933 2.79234 2.81144 2.54443 2.71344 2.62203 2.59288 2.48234 2.62164 2.89380 2.89519 2.06574 2.88949 2.06457 2.06384 2.81032 2.05764 2.04987 2.06523 2.06806 2.06594 2.57002 2.86227 2.06405 2.06408 2.88706 2.06611 2.06865 2.71250 2.03922 2.84219 2.07520 2.07543 2.57693 2.03544 2.03771 2.56549 2.03867 2.03656 2.03756 2.52065 2.05786 2.05104 2.05129 2.06676 1.86674 2.05565 2.03870 2.16452 2.15304 2.25880 1.86864 1.84383 1.96514 1.94583 1.84910 1.97581 1.89382 1.82308 1.95724 1.90630 1.87668 1.93127 1.91972 1.86978 1.97995 1.86090 1.91894 1.92840 1.90653 1.86541 2.17028 1.94369 2.16741 2.17061 2.07184 2.04039 1.92613 1.93815 1.94834 1.88472 1.88013 1.88402 2.04864 1.91394 2.32003 1.85432 1.88945 1.89532 1.95819 1.96027 1.90357 1.94709 1.90030 1.89758 1.92416 1.92444 1.86828 1.86350 2.19290 2.22673 2.01123 1.91614 1.91525 1.88983 1.88924 1.83355 1.83962 2.12130 2.32186 1.94386 2.13152 2.20712 1.85691 2.22354 2.20273 1.92368 2.02402 2.33547 1.92865 2.12417 2.23036 2.21245 2.00072 2.07001 2.10980 2.13998 2.03341 0.11388 -3.09007 3.03090 0.92438 -1.14014 3.10694 -0.00298 0.00317 3.14140 2.01329 -2.02718 -0.05415 -1.35375 0.88896 2.86199 1.58293 -0.54364 -2.55973 -1.31556 2.84105 0.82497 -0.00430 -3.11741 2.89635 -0.21677 -0.90853 2.20626 2.14359 -1.02480 3.08435 -0.08419 0.01503 3.12967 -3.07014 0.03402 -0.00669 3.09746 -0.00448 -3.10665 0.01445 -3.12258 -1.07132 1.07606 3.09939 2.98490 -1.15090 0.87242 0.96971 3.11710 -1.14277 0.65070 -2.55313 2.88771 -0.31612 -1.33858 1.74078 -3.12896 -1.03951 1.06389 1.02098 3.11044 -1.06935 -1.04149 1.04797 -3.13182 -1.48366 1.61718 0.60483 -2.57751 2.65216 -0.53018 0.00168 3.13245 -3.10149 0.02928 -3.11917 1.03654 -0.99319 -1.05759 3.09812 1.06839 1.09417 -1.03330 -3.06304 -3.13529 1.00896 -0.99785 -1.02166 3.12260 1.11578 1.03751 -1.10142 -3.10823 0.00027 3.13709 -3.13022 0.00660 0.01062 -3.13026 2.16355 -0.97732 -2.14068 1.00163 -0.01831 3.11836 -3.12849 0.00819 -0.00214 -3.13954 -3.13903 0.00676 -3.14124 0.00362 -0.00039 -3.13872 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 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 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00003 0.00003 0.00004 0.00005 -0.00002 -0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00001 0.00002 -0.00000 -0.00004 -0.00001 0.00004 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00002 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00002 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00002 0.00001 0.00009 0.00009 0.00010 0.00006 0.00000 0.00001 0.00001 0.00006 0.00005 0.00006 0.00001 0.00001 0.00001 -0.00011 -0.00010 -0.00011 -0.00006 -0.00005 -0.00007 0.00001 0.00004 -0.00004 -0.00001 0.00003 0.00000 -0.00003 -0.00006 -0.00001 -0.00009 0.00005 -0.00003 0.00010 0.00006 0.00004 0.00001 -0.00010 -0.00007 0.00013 0.00006 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00008 -0.00005 -0.00007 -0.00005 -0.00008 -0.00005 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00002 0.00005 -0.00004 0.00004 -0.00002 0.00006 -0.00002 -0.00002 -0.00009 -0.00009 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 0.00002 -0.00002 0.00003 -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00011 -0.00003 -0.00002 0.00006 -0.00002 -0.00003 0.00002 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00002 0.00001 0.00007 0.00007 0.00008 0.00005 -0.00000 0.00002 0.00002 0.00005 0.00005 0.00005 0.00002 0.00001 0.00002 -0.00009 -0.00008 -0.00009 -0.00005 -0.00004 -0.00006 0.00003 0.00007 -0.00000 0.00004 0.00001 -0.00002 -0.00005 -0.00009 -0.00000 -0.00009 0.00005 -0.00004 0.00011 0.00006 0.00006 0.00000 -0.00014 -0.00008 0.00017 0.00007 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00009 -0.00006 -0.00008 -0.00006 -0.00009 -0.00006 0.00001 0.00001 0.00000 0.00001 0.00002 0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00006 -0.00002 0.00005 -0.00001 0.00006 -0.00001 -0.00001 -0.00008 -0.00008 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 -0.00005 -0.00005 -0.00004 -0.00004 0.00002 -0.00002 0.00002 -0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00013 -0.00003 -0.00004 0.00007 -0.00002 -0.00002 0.00002 0.00002 -0.00000 0.00000 0.00000 0.00000 2.50923 2.75379 2.60547 2.59358 2.29831 2.31932 2.79233 2.81144 2.54442 2.71344 2.62203 2.59287 2.48234 2.62164 2.89380 2.89518 2.06574 2.88949 2.06456 2.06383 2.81032 2.05764 2.04988 2.06522 2.06805 2.06594 2.57001 2.86227 2.06405 2.06407 2.88705 2.06611 2.06865 2.71250 2.03922 2.84220 2.07519 2.07543 2.57692 2.03544 2.03771 2.56548 2.03867 2.03656 2.03757 2.52065 2.05785 2.05104 2.05129 2.06676 1.86674 2.05565 2.03871 2.16451 2.15304 2.25880 1.86864 1.84384 1.96515 1.94582 1.84910 1.97581 1.89381 1.82308 1.95723 1.90630 1.87667 1.93127 1.91973 1.86979 1.97995 1.86089 1.91894 1.92840 1.90653 1.86543 2.17028 1.94370 2.16740 2.17062 2.07185 2.04037 1.92614 1.93814 1.94833 1.88472 1.88014 1.88402 2.04865 1.91393 2.32003 1.85432 1.88946 1.89532 1.95818 1.96028 1.90356 1.94710 1.90029 1.89756 1.92417 1.92444 1.86828 1.86351 2.19288 2.22674 2.01124 1.91614 1.91525 1.88983 1.88924 1.83355 1.83962 2.12129 2.32186 1.94385 2.13152 2.20713 1.85691 2.22354 2.20272 1.92368 2.02403 2.33547 1.92864 2.12417 2.23036 2.21246 2.00072 2.07000 2.10979 2.13998 2.03341 0.11386 -3.09006 3.03097 0.92445 -1.14006 3.10699 -0.00298 0.00319 3.14141 2.01335 -2.02713 -0.05410 -1.35373 0.88897 2.86200 1.58285 -0.54372 -2.55982 -1.31561 2.84101 0.82491 -0.00426 -3.11734 2.89635 -0.21673 -0.90852 2.20624 2.14354 -1.02489 3.08435 -0.08427 0.01507 3.12964 -3.07002 0.03407 -0.00663 3.09746 -0.00461 -3.10672 0.01462 -3.12250 -1.07133 1.07605 3.09938 2.98490 -1.15090 0.87243 0.96971 3.11709 -1.14277 0.65062 -2.55319 2.88763 -0.31617 -1.33867 1.74071 -3.12896 -1.03950 1.06389 1.02100 3.11046 -1.06934 -1.04149 1.04797 -3.13183 -1.48367 1.61724 0.60481 -2.57747 2.65215 -0.53012 0.00167 3.13244 -3.10157 0.02921 -3.11917 1.03653 -0.99320 -1.05759 3.09811 1.06839 1.09416 -1.03333 -3.06305 -3.13535 1.00891 -0.99790 -1.02171 3.12254 1.11573 1.03747 -1.10146 -3.10827 0.00029 3.13707 -3.13021 0.00657 0.01062 -3.13026 2.16355 -0.97732 -2.14068 1.00163 -0.01845 3.11833 -3.12853 0.00825 -0.00216 -3.13956 -3.13902 0.00677 -3.14124 0.00362 -0.00039 -3.13871 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000003 0.000589 0.000129 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.302282e-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 1.3278 1.4572 1.3787 1.3725 1.2162 1.2273 1.4776 1.4878 1.3465 1.4359 1.3875 1.3721 1.3136 1.3873 1.5313 1.5321 1.0931 1.5291 1.0925 1.0921 1.4872 1.0889 1.0847 1.0929 1.0944 1.0932 1.36 1.5146 1.0922 1.0923 1.5278 1.0933 1.0947 1.4354 1.0791 1.504 1.0981 1.0983 1.3637 1.0771 1.0783 1.3576 1.0788 1.0777 1.0782 1.3339 1.089 1.0854 1.0855 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 48 118.4169 106.9562 117.78 116.8091 124.018 123.3604 129.4197 107.0652 105.6439 112.5941 111.4879 105.9458 113.2055 108.5079 104.4546 112.1417 109.2229 107.5257 110.6537 109.992 107.1306 113.4428 106.6218 109.9473 110.4891 109.2363 106.8803 124.348 111.3651 124.1834 124.367 118.7078 116.9056 110.3594 111.0479 111.6318 107.9863 107.7237 107.9463 117.3785 109.6608 132.9279 106.2448 108.2576 108.5936 112.1958 112.3153 109.0663 111.56 108.879 108.7233 110.2465 110.2621 107.0446 106.7706 125.6438 127.5823 115.2348 109.7869 109.736 108.2795 108.2454 105.0546 105.4022 121.5416 133.0328 111.3749 122.1268 126.4589 106.3931 127.3993 126.207 110.219 115.9678 133.8128 110.5035 121.7058 127.7901 126.7643 114.633 118.6026 120.8826 122.6116 116.5056 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6.5249 -177.0481 173.6578 52.963 -65.325 178.0143 -0.1705 0.1818 179.9888 115.3533 -116.1488 -3.1027 -77.5643 50.9336 163.9798 90.6954 -31.1485 -146.6618 -75.3758 162.7803 47.267 -0.2462 -178.6146 165.9487 -12.4198 -52.055 126.4096 122.8186 -58.7169 176.7202 -4.8236 0.861 179.3171 -175.9059 1.949 -0.3834 177.4715 -0.2565 -177.9977 0.828 -178.9104 -61.3824 61.6538 177.5818 171.022 -65.9418 49.9861 55.5602 178.5965 -65.4756 37.2826 -146.2834 165.4539 -18.1122 -76.6949 99.7391 -179.2764 -59.5594 60.9564 58.4981 178.2151 -61.2691 -59.6729 60.0441 -179.4402 -85.0074 92.6578 34.6542 -147.6806 151.9577 -30.3771 0.0961 179.4762 -177.7023 1.6778 -178.7151 59.3896 -56.9056 -60.5953 177.5094 61.2142 62.6914 -59.2038 -175.4991 -179.6391 57.8093 -57.1727 -58.5368 178.9116 63.9296 59.4451 -63.1065 -178.0885 0.0156 179.7422 -179.3487 0.3779 0.6086 -179.3504 123.9625 -55.9965 -122.6519 57.3891 -1.0493 178.669 -179.2492 0.4691 -0.1227 -179.8821 -179.8534 0.3871 -179.98 0.2071 -0.0224 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0587296117 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3.073289 0.000000 2.232584 4.759001 0.000000 2.862257 4.922458 3.271168 0.000000 2.672276 3.192342 3.548221 2.261864 0.000000 3.978283 4.649520 5.167197 2.273716 2.345745 0.000000 6.098506 6.124492 7.352558 4.358504 4.249845 2.200470 0.000000 2.351899 3.411295 2.414267 2.691730 1.460386 3.675763 5.667062 0.000000 3.680588 4.837138 2.841217 3.170102 2.488134 4.377541 6.202022 1.525705 0.000000 3.419049 2.432118 4.696159 3.592303 1.467512 2.817793 4.181104 2.506694 3.585411 0.000000 1.314982 3.686061 1.207139 2.649419 2.466950 4.192472 6.363764 1.524666 2.539817 3.536516 0.000000 2.892286 4.133952 3.782803 1.214554 1.341341 1.418734 3.572995 2.380129 3.117525 2.479546 2.844311 0.000000 4.874312 5.252722 4.330303 4.149515 2.976605 4.712226 6.125120 2.529725 1.520178 3.627611 3.891769 3.765598 0.000000 3.153739 1.354791 4.955338 4.206395 2.467298 3.453902 4.780307 3.256152 4.634508 1.484707 3.763174 3.228615 4.934107 0.000000 1.433851 4.076674 2.708554 3.638522 4.032467 4.913492 6.985766 3.705158 4.880703 4.764130 2.367351 3.965610 6.193857 4.270480 0.000000 2.370957 4.104189 4.169430 4.270289 4.586107 4.948753 6.761249 4.675497 6.003612 5.005250 3.605574 4.390857 7.171437 4.171117 1.511631 0.000000 3.744476 2.216754 5.819492 4.713026 3.451980 3.624070 4.616136 4.397336 5.799748 2.598654 4.646312 3.794773 6.160301 1.354812 4.533216 3.967535 0.000000 3.733764 5.498777 5.146456 5.451043 6.060672 6.245231 7.960070 6.071578 7.313672 6.521998 4.845788 5.749108 8.568365 5.643450 2.501487 1.519694 5.298278 0.000000 4.419529 5.205919 5.866239 2.951206 3.494747 1.375203 2.244327 4.748625 5.582743 3.829462 4.931973 2.473182 6.055217 4.018048 5.021682 4.699806 3.718979 5.797937 0.000000 5.181525 5.319546 6.254812 3.407121 3.064162 1.361280 1.300406 4.449812 4.917846 3.158901 5.274615 2.500328 4.835311 4.031866 6.219498 6.236647 4.215205 7.551880 2.200851 0.000000 4.013201 2.217999 6.155928 5.670072 4.484810 4.926926 5.998182 5.114105 6.608086 3.699815 5.080166 4.911468 7.096809 2.227903 4.501755 3.738754 1.427459 4.875058 4.899710 5.625309 0.000000 3.618868 1.351050 5.538224 5.731296 4.312159 5.379086 6.727490 4.582202 6.064886 3.576414 4.536055 5.025630 6.580686 2.182713 4.214000 3.828793 2.220828 5.021463 5.627791 6.119628 1.352276 0.000000 5.703295 6.048005 7.147844 4.135720 4.438022 2.170487 1.371796 5.808657 6.539553 4.498118 6.184364 3.544433 6.762407 4.752632 6.349380 5.924718 4.316142 6.974239 1.358032 2.129810 5.566105 6.437908 0.000000 4.912728 6.127057 6.555760 6.443907 6.971085 6.822252 8.235164 7.204957 8.523318 7.224114 6.124759 6.604814 9.679566 6.181493 3.863114 2.542051 5.519919 1.496066 6.132689 8.043076 4.955532 5.396484 7.125280 0.000000 5.186866 5.819224 7.111171 6.579943 6.864181 6.503586 7.649419 7.327796 8.723178 6.885352 6.474358 6.522653 9.725949 5.738380 4.442767 2.945674 4.839295 2.525171 5.712051 7.599714 4.250430 4.970169 6.530071 1.328552 0.000000 2.716506 2.854083 2.933364 3.729209 2.057411 4.394441 6.247947 1.094774 2.128008 2.465411 2.099757 3.250610 2.739412 3.039126 4.070437 4.973613 4.319371 6.386304 5.453678 5.051302 4.862987 4.104080 6.447447 7.478541 7.547738 0.000000 3.919159 5.549034 2.933824 2.669967 2.806786 4.176859 5.994447 2.163928 1.090879 4.123062 2.803523 2.945282 2.155723 5.184121 4.961960 6.085750 6.208031 7.309862 5.311280 4.759764 7.098273 6.704554 6.273791 8.527334 8.780698 3.043803 0.000000 3.985919 5.251415 2.622123 3.964337 3.400604 5.391427 7.276227 2.128752 1.090452 4.414421 2.716905 4.066915 2.142446 5.303034 5.040993 6.321197 6.506052 7.537159 6.537878 5.996630 7.145835 6.437652 7.559525 8.840712 9.161902 2.424956 1.749896 0.000000 3.976242 2.606468 4.917848 4.330286 2.071173 3.776916 5.004243 2.604991 3.451395 1.089729 3.855936 3.302835 3.191245 2.132050 5.376065 5.774338 3.386214 7.290182 4.880262 3.932874 4.289598 3.890231 5.484762 8.059632 7.760814 2.200885 4.207187 4.159247 0.000000 4.307552 3.280875 5.600977 3.925621 2.111721 2.518066 3.338972 3.386961 4.241992 1.085664 4.454989 2.715629 4.040162 2.104263 5.588277 5.673777 2.797356 7.161474 3.513099 2.423112 4.101550 4.262624 3.871960 7.727343 7.255616 3.471579 4.635964 5.180649 1.730308 0.000000 5.778037 6.321334 4.909281 4.843116 3.993576 5.543710 6.845582 3.471719 2.155692 4.699986 4.686215 4.622860 1.089723 6.022937 7.027420 8.091255 7.239765 9.440087 6.883417 5.582106 8.183753 7.649392 7.545389 10.602584 10.707073 3.713986 2.494323 2.459037 4.244586 5.037805 0.000000 5.074749 4.895980 4.687308 4.883829 3.293172 5.254682 6.610186 2.778069 2.173459 3.561534 4.181564 4.349295 1.091628 4.763932 6.437863 7.373628 6.070011 8.802700 6.585793 5.342171 6.892624 6.243488 7.270269 9.884127 9.881446 2.537563 3.072615 2.514795 2.833079 4.058159 1.758479 0.000000 5.068047 5.270491 4.895190 3.931668 2.721743 4.030924 5.187597 2.843541 2.180878 3.245883 4.274995 3.358853 1.090497 4.687300 6.419903 7.221709 5.805039 8.656222 5.403886 3.925917 6.901291 6.576311 5.950986 9.654917 9.581587 3.177096 2.520349 3.066896 2.952968 3.380650 1.754214 1.764149 0.000000 2.074770 5.020583 2.617384 3.370399 4.353069 4.989703 7.079739 4.003463 4.930814 5.326644 2.596769 4.016437 6.337550 5.048833 1.092572 2.158551 5.307900 2.759530 5.045779 6.329384 5.437138 5.250110 6.399554 4.166204 4.888975 4.588523 4.781866 5.080714 5.977545 6.074501 7.065389 6.744609 6.559471 0.000000 2.074306 4.330836 2.795606 4.556855 4.733502 5.902104 7.990874 4.139823 5.252976 5.386460 2.741596 4.871574 6.589014 4.826918 1.092623 2.162936 5.179547 2.768359 6.083157 7.172625 4.919680 4.386438 7.400769 4.172557 4.888720 4.301869 5.453740 5.199148 5.838998 6.308187 7.384608 6.720752 6.963060 1.769036 0.000000 2.597343 3.402497 4.599930 4.832817 4.638896 5.191178 6.895459 4.767797 6.214294 4.748381 3.891675 4.699467 7.251362 3.664568 2.139381 1.092069 3.388843 2.154229 5.015193 6.374994 2.853120 2.877353 6.142599 2.793535 2.875592 4.838935 6.470065 6.528634 5.442684 5.445816 8.234891 7.298825 7.299736 3.055444 2.500980 0.000000 2.591269 4.236428 4.486337 3.737450 4.245252 4.129095 5.821749 4.641759 5.936715 4.674708 3.783395 3.806479 7.015594 3.946580 2.136865 1.093671 3.580860 2.154198 3.699891 5.412294 3.671405 4.066664 4.900899 2.798761 2.891720 5.084964 5.909502 6.425441 5.582916 5.170051 7.941921 7.311019 6.909554 2.493123 3.057210 1.755716 0.000000 4.367537 3.257873 6.415114 4.752252 3.774411 3.247061 3.828849 4.946126 6.244401 3.005103 5.244476 3.813608 6.537707 2.175795 5.093821 4.410286 1.078819 5.656616 3.086866 3.693490 2.250483 3.267933 3.443410 5.726464 4.920641 5.039077 6.513152 7.061219 3.912776 2.834150 7.584402 6.565460 6.024057 5.723554 5.874723 4.000138 3.777908 0.000000 4.040246 6.249218 5.114216 5.304234 6.308028 6.336837 8.075165 6.284134 7.374953 6.972409 4.981647 5.814684 8.703665 6.276837 2.731875 2.157603 5.995370 1.095554 5.847227 7.676138 5.762644 5.929468 7.049133 2.113433 3.223852 6.752541 7.217178 7.588262 7.773127 7.577992 9.499515 9.059246 8.793289 2.535504 3.091195 3.062524 2.514238 6.252426 0.000000 4.039672 5.721668 5.206039 6.114077 6.573778 7.066717 8.873012 6.372306 7.592595 7.019981 5.057896 6.426116 8.888245 6.104921 2.728015 2.155418 5.885347 1.095699 6.748250 8.375157 5.286692 5.195419 7.954818 2.112604 3.216142 6.566889 7.672833 7.668790 7.672018 7.766010 9.738198 9.045122 9.096146 3.078390 2.541014 2.516034 3.061517 6.389868 1.737239 0.000000 4.035949 5.220163 5.575630 2.940193 3.821890 2.156259 3.302895 4.876651 5.826242 4.282161 4.722107 2.774916 6.531664 4.202483 4.352572 3.890713 3.788831 4.846197 1.077024 3.229018 4.733242 5.470774 2.229076 5.158411 4.830359 5.597454 5.531191 6.677334 5.356337 4.195678 7.374831 7.058274 6.022389 4.318559 5.433717 4.338435 2.835266 3.278814 4.840142 5.839925 0.000000 5.520484 5.474920 6.337587 3.759487 3.053863 2.143909 2.121743 4.318397 4.539340 3.100705 5.395383 2.825466 4.156368 4.268900 6.700168 6.895167 4.718833 8.278441 3.231783 1.078944 6.124279 6.442462 3.181507 8.873095 8.471815 4.844492 4.459197 5.624770 3.605165 2.332520 4.828009 4.644313 3.146371 6.831299 7.576114 6.986211 6.171285 4.352913 8.419766 9.026728 4.213873 0.000000 4.801158 3.257142 6.988507 6.451327 5.472038 5.648161 6.542034 6.124020 7.627668 4.723749 5.963566 5.759401 8.154951 3.274610 5.038184 4.008056 2.252542 4.872374 5.389691 6.344091 1.077729 2.172832 5.963043 4.633286 3.737469 5.910011 8.068087 8.158251 5.346299 5.027448 9.240597 7.969016 7.934850 5.949932 5.427280 3.095948 3.941050 2.736779 5.817473 5.291376 5.117726 6.939768 0.000000 4.101137 2.072009 5.824988 6.517714 5.135287 6.382492 7.798621 5.158787 6.602518 4.479286 4.968514 5.909234 7.169772 3.180669 4.508040 4.192455 3.290478 5.193709 6.637755 7.158468 2.232360 1.078095 7.492184 5.579760 5.273186 4.558783 7.304716 6.817716 4.637424 5.241092 8.204676 6.746371 7.295518 5.593721 4.420127 3.174076 4.662499 4.320956 6.165828 5.145725 6.407150 7.442696 2.730221 0.000000 6.521066 6.821241 8.054077 5.062660 5.469530 3.224379 2.145879 6.828156 7.597531 5.460665 7.107449 4.561999 7.840060 5.549511 7.020018 6.415129 4.903749 7.307709 2.188459 3.154468 6.035311 7.049469 1.077825 7.255520 6.560007 7.450911 7.308349 8.605643 6.457125 4.816979 8.617179 8.338364 7.020665 7.053439 8.078553 6.633352 5.350541 3.926017 7.366497 8.337462 2.738542 4.168109 6.258867 8.090469 0.000000 5.854756 7.165048 7.326433 7.340348 7.999759 7.814390 9.195740 8.174713 9.449720 8.299142 7.014096 7.591287 10.657810 7.262508 4.686231 3.508599 6.594207 2.187675 7.070421 9.044005 5.981071 6.395355 8.035903 1.085952 2.078078 8.462046 9.412741 9.715610 9.127649 8.805689 11.553764 10.881851 10.661428 4.863491 4.874109 3.805241 3.804947 6.778372 2.486300 2.492732 6.059802 9.893300 5.583573 6.488545 8.094408 0.000000 6.250571 6.666388 8.192643 7.538104 7.810868 7.289129 8.214528 8.349755 9.753409 7.740831 7.542340 7.443193 10.712325 6.553227 5.524030 4.028068 5.526989 3.499830 6.387089 8.304059 4.887847 5.720567 7.048993 2.101150 1.082413 8.551986 9.805127 10.219231 8.625873 8.027579 11.704975 10.855531 10.519685 5.944671 5.944654 3.902061 3.916868 5.500899 4.108877 4.102255 5.536503 9.216266 4.186265 5.992457 6.927953 2.402133 0.000000 4.602231 4.917881 6.683514 5.949657 6.006654 5.647910 6.755230 6.584719 8.014081 5.907762 5.903051 5.733206 8.913458 4.736676 4.137955 2.646517 3.774143 2.826176 4.920963 6.686124 3.262214 4.109956 5.713578 2.122711 1.083780 6.771006 8.126060 8.522713 6.792431 6.235870 9.923267 9.035595 8.715966 4.703254 4.696978 2.382824 2.410368 3.846489 3.595783 3.583078 4.147968 7.534762 2.811730 4.565668 5.815063 3.066893 1.838269 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2626889 0.1887646 0.1576756 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3.140681 0.000000 2.250472 4.926251 0.000000 2.947833 4.980177 3.326212 0.000000 2.693073 3.229849 3.578146 2.277060 0.000000 4.007548 4.564793 5.214504 2.293726 2.371604 0.000000 6.119769 5.964329 7.427181 4.400982 4.309494 2.218558 0.000000 2.364872 3.544938 2.433144 2.722943 1.477640 3.720896 5.752347 0.000000 3.706682 4.981670 2.871745 3.184642 2.503418 4.436741 6.329560 1.531332 0.000000 3.477619 2.449166 4.756759 3.635505 1.487751 2.841982 4.208101 2.538904 3.597131 0.000000 1.327829 3.822374 1.216209 2.708606 2.487806 4.232163 6.423479 1.532070 2.557556 3.589431 0.000000 2.942091 4.138102 3.826472 1.227336 1.346455 1.435892 3.614663 2.406457 3.139672 2.503542 2.884279 0.000000 4.901775 5.363436 4.353843 4.218597 3.028795 4.849193 6.359929 2.539288 1.529052 3.635957 3.908920 3.844486 0.000000 3.281226 1.378750 5.105757 4.250602 2.487058 3.353973 4.598352 3.358022 4.714013 1.487156 3.898273 3.219040 4.986588 0.000000 1.457243 4.126286 2.724761 3.780556 4.087243 4.987319 7.036135 3.739570 4.931235 4.852738 2.393392 4.063532 6.246390 4.415376 0.000000 2.377523 4.009480 4.189417 4.470526 4.650253 5.067257 6.832428 4.706061 6.059694 5.087332 3.628850 4.530976 7.231875 4.259926 1.514648 0.000000 3.938052 2.238817 6.006670 4.749227 3.465916 3.453516 4.270091 4.505157 5.871971 2.610790 4.816722 3.767147 6.201594 1.359998 4.772544 4.191080 0.000000 3.757645 5.415503 5.185773 5.659190 6.132703 6.363038 8.022597 6.117052 7.388633 6.610188 4.886554 5.893075 8.645702 5.733408 2.515736 1.527766 5.513872 0.000000 4.401419 5.064141 5.863746 2.956856 3.510347 1.387519 2.260412 4.768101 5.623205 3.871300 4.928778 2.485592 6.186335 3.909535 5.040394 4.785011 3.535700 5.876141 0.000000 5.226730 5.212456 6.347126 3.451095 3.122378 1.372093 1.313597 4.539205 5.039946 3.170189 5.350212 2.539002 5.050554 3.876763 6.301532 6.337780 3.932529 7.651988 2.219286 0.000000 4.199840 2.239340 6.384512 5.709475 4.508111 4.739458 5.613310 5.253618 6.731959 3.719246 5.276087 4.881640 7.181607 2.244213 4.719346 3.861623 1.435394 4.992901 4.642086 5.342788 0.000000 3.744953 1.372462 5.766751 5.789110 4.354793 5.239873 6.447782 4.743817 6.236508 3.605343 4.723768 5.018681 6.711591 2.210958 4.323642 3.746666 2.236822 4.941375 5.403701 5.929357 1.357599 0.000000 5.687153 5.865489 7.168704 4.157226 4.475900 2.188565 1.387313 5.856501 6.622850 4.539759 6.200057 3.572527 6.951739 4.592580 6.358523 5.976270 4.018156 7.012648 1.363654 2.152443 5.184670 6.132497 0.000000 4.937797 5.963295 6.602092 6.683323 7.052775 6.971279 8.317570 7.254015 8.606654 7.310198 6.170264 6.774101 9.766715 6.232327 3.885479 2.560351 5.702723 1.504024 6.263620 8.159611 4.976325 5.183690 7.203235 0.000000 5.209292 5.576134 7.158104 6.839487 6.951597 6.682283 7.758580 7.375397 8.806580 6.966035 6.519171 6.711140 9.814855 5.747666 4.470460 2.970318 4.984992 2.538264 5.899779 7.733468 4.156188 4.619994 6.658539 1.333869 0.000000 2.699107 3.015468 2.946941 3.755592 2.065407 4.423794 6.314664 1.093144 2.145389 2.486369 2.092437 3.265946 2.728566 3.154194 4.063722 4.937270 4.443506 6.366681 5.456382 5.123171 5.029602 4.298630 6.476029 7.449158 7.506191 0.000000 3.956114 5.639780 3.016229 2.637100 2.763037 4.169286 6.050734 2.154123 1.092523 4.076465 2.843639 2.905719 2.170267 5.197687 5.046968 6.179527 6.205665 7.433315 5.295709 4.806736 7.152779 6.817622 6.295020 8.660321 8.908249 3.047245 0.000000 3.978867 5.455531 2.590858 3.935245 3.417531 5.429396 7.390289 2.131896 1.092135 4.455943 2.693021 4.066547 2.161625 5.429499 5.035576 6.319904 6.626735 7.549451 6.542231 6.110620 7.331585 6.679027 7.613006 8.861030 9.186172 2.476839 1.757632 0.000000 3.935089 2.597396 4.897008 4.355744 2.079852 3.842066 5.128456 2.579285 3.441767 1.088855 3.823264 3.327730 3.196271 2.128577 5.353663 5.734780 3.399732 7.258334 4.943588 4.042530 4.304272 3.904320 5.583828 8.023615 7.720334 2.147267 4.157454 4.179951 0.000000 4.399630 3.302225 5.647959 3.966386 2.119248 2.596866 3.431033 3.385401 4.186623 1.084747 4.503911 2.749297 3.970937 2.109807 5.731060 5.854816 2.821027 7.350348 3.663060 2.451913 4.131470 4.297055 4.025962 7.940247 7.485063 3.458776 4.515291 5.155196 1.745915 0.000000 5.811587 6.450959 4.946614 4.873728 4.023868 5.642540 7.051123 3.485735 2.166822 4.694297 4.711754 4.665489 1.092871 6.069300 7.087682 8.159286 7.263540 9.528413 6.981883 5.760528 8.267604 7.799555 7.705286 10.700879 10.805375 3.731376 2.503112 2.500346 4.256353 4.934308 0.000000 5.089037 5.063163 4.663523 4.974010 3.400202 5.447562 6.916946 2.798809 2.176603 3.652940 4.175332 4.469937 1.094368 4.893788 6.455567 7.398880 6.196259 8.833787 6.766323 5.627775 7.052343 6.434021 7.519902 9.925196 9.931335 2.537609 3.082180 2.513741 2.920830 4.090648 1.769361 0.000000 5.077663 5.253856 4.927690 4.027933 2.731603 4.179808 5.442004 2.818025 2.183038 3.159882 4.283775 3.441185 1.093248 4.622524 6.474133 7.285234 5.730987 8.742927 5.560561 4.153968 6.857428 6.571714 6.167702 9.752015 9.676666 3.096777 2.539589 3.080121 2.867285 3.220437 1.765504 1.769215 0.000000 2.076985 5.049150 2.655636 3.482032 4.385089 5.022194 7.093488 4.037270 4.994756 5.387407 2.625228 4.079526 6.412677 5.141840 1.092246 2.176491 5.461746 2.797174 5.008044 6.380849 5.568573 5.313102 6.358732 4.213095 4.938956 4.590765 4.885314 5.085408 5.951772 6.178423 7.148643 6.782138 6.645084 0.000000 2.081255 4.439036 2.744569 4.651900 4.752472 5.956418 8.032389 4.120813 5.233986 5.454399 2.714238 4.933343 6.557994 5.005382 1.092261 2.177969 5.481109 2.815425 6.098697 7.236197 5.255971 4.615842 7.409959 4.223129 4.934362 4.250623 5.479821 5.123441 5.777607 6.421788 7.364410 6.644675 6.935142 1.779175 0.000000 2.595022 3.291742 4.581851 5.022869 4.697561 5.332047 6.997195 4.768980 6.228722 4.835050 3.885391 4.841991 7.260805 3.792479 2.135705 1.093340 3.722138 2.164615 5.149644 6.491912 3.111006 2.815710 6.244945 2.816959 2.906517 4.765367 6.520310 6.490009 5.383598 5.645723 8.251505 7.275031 7.305853 3.063757 2.496732 0.000000 2.572532 4.040837 4.520634 3.955959 4.299331 4.245962 5.879690 4.673393 6.009351 4.726594 3.807610 3.950582 7.105698 3.934966 2.134703 1.094682 3.660346 2.165818 3.786009 5.503025 3.582036 3.819415 4.942259 2.824491 2.925882 5.043083 6.014604 6.442237 5.536251 5.336063 8.037571 7.373393 7.005917 2.506020 3.063747 1.759363 0.000000 4.571565 3.278376 6.578967 4.766702 3.768747 3.051108 3.395933 5.021566 6.266225 3.009321 5.397458 3.769067 6.534074 2.173597 5.373073 4.743285 1.079108 5.989661 2.924070 3.329138 2.261468 3.284663 3.116240 6.076818 5.285634 5.128958 6.451621 7.124495 3.928124 2.854831 7.545675 6.658268 5.917568 5.908019 6.202749 4.451109 4.002098 0.000000 4.061625 6.171262 5.178211 5.498537 6.373463 6.423534 8.104026 6.342030 7.473853 7.048767 5.035398 5.940297 8.812676 6.337933 2.744753 2.162380 6.140441 1.098147 5.872213 7.753351 5.811618 5.838808 7.036290 2.122286 3.237235 6.752706 7.366994 7.623753 7.748783 7.742083 9.621407 9.120496 8.916769 2.575670 3.143592 3.070539 2.520806 6.494506 0.000000 4.071235 5.714369 5.222433 6.298967 6.643610 7.181104 8.942580 6.407246 7.643587 7.120777 5.087434 6.559225 8.931911 6.252736 2.739037 2.161822 6.180991 1.098270 6.824758 8.478031 5.541812 5.247008 7.999570 2.121937 3.230332 6.545368 7.775267 7.656314 7.640204 7.956998 9.793335 9.037005 9.148226 3.108624 2.590393 2.524591 3.071384 6.782184 1.743171 0.000000 3.973217 5.074837 5.507227 2.910179 3.798316 2.156150 3.321841 4.841728 5.805126 4.314262 4.661218 2.756391 6.597084 4.128000 4.330473 3.974393 3.703813 4.927709 1.077110 3.242033 4.545309 5.264138 2.241516 5.323228 5.077114 5.548180 5.466503 6.607618 5.375187 4.346725 7.409772 7.161373 6.119703 4.225445 5.416587 4.485013 2.936226 3.277536 4.851909 5.911689 0.000000 5.587266 5.403136 6.465258 3.809825 3.122874 2.149188 2.138163 4.433677 4.695770 3.090040 5.498880 2.864240 4.409551 4.119678 6.802919 7.000434 4.444876 8.386927 3.247890 1.078308 5.872858 6.296491 3.205375 8.986304 8.588464 4.945562 4.533467 5.787288 3.726362 2.252905 5.043687 4.975658 3.408655 6.914127 7.654503 7.092449 6.264022 3.984225 8.517676 9.138409 4.221678 0.000000 5.001782 3.279560 7.232328 6.480314 5.489811 5.431462 6.078804 6.263746 7.749843 4.742986 6.168903 5.717606 8.236185 3.290533 5.287068 4.178416 2.259482 5.044346 5.088600 6.011300 1.078819 2.176515 5.502205 4.702764 3.668441 6.079709 8.117628 8.345361 5.364278 5.058916 9.318214 8.128341 7.885934 6.100910 5.822351 3.441874 3.868650 2.748788 5.891863 5.630809 4.905253 6.639927 0.000000 4.184357 2.083359 6.058112 6.572220 5.176170 6.242061 7.520437 5.323658 6.798721 4.504637 5.146486 5.899454 7.322269 3.206266 4.550477 3.983263 3.307095 4.979439 6.393824 6.979611 2.242835 1.077699 7.170163 5.191875 4.719763 4.761066 7.449753 7.094978 4.644888 5.271512 8.392041 6.947907 7.306401 5.612466 4.603797 2.925820 4.312418 4.339414 5.971585 5.074653 6.162526 7.319850 2.742535 0.000000 6.485204 6.607099 8.055390 5.080895 5.502959 3.243509 2.158594 6.866512 7.675044 5.503783 7.106740 4.588444 8.029537 5.381566 7.001319 6.440008 4.596224 7.313169 2.196382 3.176418 5.603368 6.690638 1.078232 7.305424 6.671619 7.468245 7.327556 8.648458 6.554132 4.986506 8.780493 8.587170 7.241423 6.981094 8.066656 6.720421 5.363523 3.617491 7.311067 8.352444 2.760169 4.192491 5.723676 7.701519 0.000000 5.882315 7.019734 7.374065 7.574024 8.081345 7.957031 9.271149 8.226025 9.536082 8.387559 7.061324 7.756049 10.748109 7.320316 4.706942 3.526131 6.777651 2.193915 7.189514 9.156758 6.016737 6.210341 8.102708 1.088971 2.087061 8.437827 9.553110 9.736009 9.094567 9.018679 11.656541 10.921175 10.765418 4.909211 4.928877 3.830049 3.830613 7.121608 2.492685 2.500611 6.208819 10.005895 5.667898 6.134969 8.130680 0.000000 6.275473 6.401274 8.243013 7.805598 7.902437 7.478635 8.333825 8.400150 9.841392 7.821018 7.590119 7.638866 10.806852 6.546272 5.554539 4.055668 5.646615 3.514915 6.595489 8.444674 4.745995 5.330637 7.198061 2.107940 1.085365 8.509679 9.938147 10.247576 8.587218 8.266058 11.809151 10.910785 10.621480 5.997763 5.994058 3.937710 3.954598 5.855265 4.123728 4.118831 5.811541 9.334660 4.047648 5.388292 7.066835 2.412417 0.000000 4.615132 4.629940 6.721192 6.208280 6.091715 5.839292 6.881319 6.624247 8.088065 5.982701 5.938819 5.925268 8.994396 4.723787 4.160436 2.665687 3.909192 2.834017 5.136559 6.828617 3.098985 3.680639 5.870284 2.125604 1.085499 6.717921 8.237432 8.541826 6.746626 6.468649 10.011548 9.085076 8.798994 4.744797 4.727143 2.407110 2.440787 4.234543 3.604787 3.591464 4.429374 7.652714 2.660364 3.936984 5.961228 3.074601 1.846054 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2598693 0.1879951 0.1530454 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= 709 709 709 709 709 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 2349.4421383123 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 -0.0577226444 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2356.2085221627 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 -0.0576321424 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2380.8003270193 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 -0.0611594266 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2376.9968688296 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 -0.0611623521 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2351.4165845095 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 -0.0579969955 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2356.0985742010 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 -0.0581305693 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2357.5857399100 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 -0.0583380177 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.8424958773 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 -0.0584756343 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2360.0894068612 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 -0.0585454384 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2360.3149252527 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 -0.0585657782 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2360.9196218317 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 -0.0586455044 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2360.4796462325 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 -0.0586091807 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2360.0893694360 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 -0.0586018980 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2359.5109929760 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 -0.0585701973 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.5951937340 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 -0.0585050266 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.5491051080 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 -0.0584905214 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.3332712687 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 -0.0584685159 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.1740947970 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 -0.0584598892 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.2074139925 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 -0.0584636890 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.1763050763 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 -0.0584621323 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 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= 1.46D-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= 703 702 703 703 703 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.60013973967 -1164.82883992077 -0.228700181099 -1165.20280536622 -0.373965445446 -1165.26360177883 -0.060796412607 -1165.27822133630 -0.014619557471 -1165.27891248378 -0.000691147486 -1165.27897793849 -0.000065454707 -1165.27898496525 -0.000007026757 -1165.27898532782 -0.000000362571 -1165.27898542063 -0.000000092813 -1165.27898542398 -0.000000003353 -1165.27898542461 -0.000000000631 -1165.27898542467 -0.000000000056 -1165.27898542484 -0.000000000167 -1165.27898542457 0.000000000267 -1165.27898542 15 1.161109378634e+03 -7.468977513732e+03 2.766400400696e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245690984 LenY= 4245181902 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. 9.06189093e-01 -3.19401658e-01 2.24246084e+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 0.002584105 0.000270054 0.010185852 -0.015794655 0.003125697 -0.009193314 -0.003873860 -0.005216593 -0.014979218 0.005520476 -0.006754387 -0.017891670 0.001183998 0.001301704 -0.000883628 -0.001331492 -0.000430040 -0.000965731 0.008404739 0.010563662 0.008529280 -0.007640579 -0.000047372 -0.002150756 -0.000980114 0.001408214 -0.003716160 -0.003096918 0.006076735 0.008295114 -0.003268107 0.007819499 0.004434226 -0.003420532 0.004864411 0.007997663 -0.000856976 0.004256213 0.000938913 0.008018027 0.011735953 -0.001395464 0.003037847 -0.011600029 -0.003275546 0.000107317 0.001767901 0.001624495 0.007839635 0.000677691 0.003579280 -0.000038911 -0.001428254 -0.001279875 0.004550238 -0.010065333 -0.000231531 -0.011544745 0.011666537 -0.003803622 0.004441144 -0.003906460 0.004549724 -0.005072932 -0.014150757 0.006899485 0.010985182 -0.006772332 0.004287531 0.000360308 -0.002694677 -0.001592820 0.001407251 0.002134383 0.004803202 0.001287965 -0.001327012 0.000038928 0.001944411 -0.001041415 0.000324816 -0.000629642 -0.001798375 -0.000510461 -0.001117161 -0.001517219 -0.000493136 0.001110797 -0.001169303 -0.000578392 -0.000451615 0.001287707 -0.002041194 -0.001404074 -0.000747707 0.001396684 0.001655579 -0.000228090 0.001315975 -0.000438358 0.002399333 -0.000603547 -0.001636107 0.001241885 0.000037027 -0.001083175 0.000460938 0.000087114 0.000209723 0.001303779 -0.000287051 0.000214018 0.000755407 -0.001003348 0.000923736 0.000303433 -0.001597201 -0.001573393 -0.000923408 -0.000365945 -0.001425143 0.000040831 -0.000720558 -0.000790976 -0.001057915 -0.000365827 0.000318519 -0.000666072 0.000210241 -0.000259973 0.000404239 -0.000606891 0.000424840 -0.000256330 0.000354266 0.000577226 -0.001936464 -0.000636943 0.001229409 -0.001201411 0.001282795 -0.000607051 0.001070747 -0.000002779 0.017891670 0.004757845 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.28301032032 -1165.28301098785 -0.000000667535 -1165.28301099160 -0.000000003748 -1165.28301099541 -0.000000003811 -1165.28301099555 -0.000000000139 -1165.28301099596 -0.000000000412 -1165.28301099584 0.000000000124 -1165.28301100 7 1.160423323618e+03 -7.432532805650e+03 2.748693422527e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245690984 LenY= 4245181902 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) PT271297S Mon Jan 10 20:59:33 2022 9.28585413e-01 -1.61395955e-01 2.28604314e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.283011 6.133E-9 5.146E-6 -0.0250493,12.6043222,-12.5792729,-15.616889,-3.3942036,-4.4844183 C01 [X(C18H23N3O4)] -1.5922607 -0.7787474 1.7241146 0.000005246 -0.000000936 -0.000000121 -0.000003031 -0.000007028 0.000005647 -0.000001040 -0.000003079 -0.000001093 -0.000005911 0.000001017 0.000008526 0.000007461 -0.000001837 -0.000004608 -0.000007367 0.000006088 0.000005103 0.000006839 0.000001150 -0.000025604 -0.000001757 -0.000007443 -0.000001752 -0.000002256 -0.000005709 -0.000006324 -0.000001229 0.000002992 0.000002064 -0.000005632 0.000001096 0.000005907 -0.000000286 0.000003145 -0.000013658 -0.000006042 0.000002496 -0.000001538 0.000016193 0.000004100 -0.000005843 -0.000000816 0.000002137 0.000003830 0.000003342 -0.000006249 0.000000101 -0.000011646 0.000000300 0.000000794 0.000000661 0.000002990 0.000003058 0.000008261 0.000016532 -0.000003028 -0.000009564 -0.000008340 -0.000000159 -0.000005783 0.000006707 -0.000001224 0.000008801 0.000003389 0.000003683 -0.000009450 -0.000005963 0.000008259 0.000006741 -0.000000788 0.000007302 0.000004019 0.000003674 0.000003974 -0.000001715 -0.000001142 -0.000002252 -0.000004759 -0.000004019 -0.000000101 -0.000001277 -0.000005266 0.000001039 -0.000000878 -0.000001010 -0.000002188 0.000000852 -0.000000041 -0.000002703 -0.000003542 -0.000006616 -0.000001429 -0.000001232 -0.000004623 -0.000003702 -0.000003933 -0.000004423 -0.000005004 0.000001290 -0.000004242 0.000002673 0.000002913 -0.000001609 0.000001961 0.000001261 0.000000385 0.000002402 0.000000328 0.000001287 0.000000517 0.000000814 0.000004599 -0.000004320 0.000001504 -0.000000219 0.000004674 0.000004543 0.000000187 0.000006147 -0.000002029 0.000001680 -0.000000140 -0.000005723 -0.000000279 -0.000002588 0.000001878 0.000003111 0.000000296 0.000002543 -0.000000109 0.000003025 0.000000057 0.000004653 -0.000002303 0.000003768 0.000002691 0.000005865 0.000003764 0.000004122 0.000002453 0.000003820 0.000000440 0.000002384 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-CIBELES2-332 PAULAPLA Optimization pefurazoate CONF1003 water 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 CONF1003 water 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/water/CONF1003/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 1.3278 1.4572 1.3787 1.3725 1.2162 1.2273 1.4776 1.4878 1.3465 1.4359 1.3875 1.3721 1.3136 1.3873 1.5313 1.5321 1.0931 1.5291 1.0925 1.0921 1.4872 1.0889 1.0847 1.0929 1.0944 1.0932 1.36 1.5146 1.0922 1.0923 1.5278 1.0933 1.0947 1.4354 1.0791 1.504 1.0981 1.0983 1.3637 1.0771 1.0783 1.3576 1.0788 1.0777 1.0782 1.3339 1.089 1.0854 1.0855 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 48 118.4169 106.9562 117.78 116.8091 124.018 123.3604 129.4197 107.0652 105.6439 112.5941 111.4879 105.9458 113.2055 108.5079 104.4546 112.1417 109.2229 107.5257 110.6537 109.992 107.1306 113.4428 106.6218 109.9473 110.4891 109.2363 106.8803 124.348 111.3651 124.1834 124.367 118.7078 116.9056 110.3594 111.0479 111.6318 107.9863 107.7237 107.9463 117.3785 109.6608 132.9279 106.2448 108.2576 108.5936 112.1958 112.3153 109.0663 111.56 108.879 108.7233 110.2465 110.2621 107.0446 106.7706 125.6438 127.5823 115.2348 109.7869 109.736 108.2795 108.2454 105.0546 105.4022 121.5416 133.0328 111.3749 122.1268 126.4589 106.3931 127.3993 126.207 110.219 115.9678 133.8128 110.5035 121.7058 127.7901 126.7643 114.633 118.6026 120.8826 122.6116 116.5056 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6.5249 -177.0481 173.6578 52.963 -65.325 178.0143 -0.1705 0.1818 179.9888 115.3533 -116.1488 -3.1027 -77.5643 50.9336 163.9798 90.6954 -31.1485 -146.6618 -75.3758 162.7803 47.267 -0.2462 -178.6146 165.9487 -12.4198 -52.055 126.4096 122.8186 -58.7169 176.7202 -4.8236 0.861 179.3171 -175.9059 1.949 -0.3834 177.4715 -0.2565 -177.9977 0.828 -178.9104 -61.3824 61.6538 177.5818 171.022 -65.9418 49.9861 55.5602 178.5965 -65.4756 37.2826 -146.2834 165.4539 -18.1122 -76.6949 99.7391 -179.2764 -59.5594 60.9564 58.4981 178.2151 -61.2691 -59.6729 60.0441 -179.4402 -85.0074 92.6578 34.6542 -147.6806 151.9577 -30.3771 0.0961 179.4762 -177.7023 1.6778 -178.7151 59.3896 -56.9056 -60.5953 177.5094 61.2142 62.6914 -59.2038 -175.4991 -179.6391 57.8093 -57.1727 -58.5368 178.9116 63.9296 59.4451 -63.1065 -178.0885 0.0156 179.7422 -179.3487 0.3779 0.6086 -179.3504 123.9625 -55.9965 -122.6519 57.3891 -1.0493 178.669 -179.2492 0.4691 -0.1227 -179.8821 -179.8534 0.3871 -179.98 0.2071 -0.0224 -179.8353 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00161 0.00188 0.00207 0.00232 0.00270 0.00297 0.00336 0.00408 0.00488 0.00605 0.00755 0.01071 0.01161 0.01236 0.01331 0.01476 0.01541 0.01886 0.01962 0.02171 0.02361 0.02647 0.02844 0.03067 0.03491 0.03655 0.03808 0.03813 0.03819 0.04094 0.04192 0.04347 0.04487 0.04514 0.04563 0.04649 0.04955 0.05260 0.05446 0.05513 0.05670 0.06011 0.06075 0.06226 0.06405 0.06963 0.07051 0.07337 0.08196 0.08793 0.09066 0.09520 0.09958 0.09990 0.10147 0.10355 0.10630 0.10689 0.10733 0.11282 0.11742 0.12062 0.12805 0.12868 0.13323 0.13996 0.14091 0.14347 0.15733 0.16045 0.17153 0.17779 0.19110 0.19696 0.19806 0.20204 0.21407 0.21848 0.22320 0.22625 0.22831 0.23374 0.23754 0.23991 0.24104 0.24400 0.24949 0.28127 0.28575 0.28784 0.29000 0.30383 0.31077 0.31311 0.31760 0.32189 0.32619 0.32805 0.32873 0.33001 0.33104 0.33314 0.33319 0.33630 0.33765 0.33999 0.34068 0.34248 0.34332 0.34404 0.34592 0.34692 0.34931 0.35341 0.35474 0.36220 0.36900 0.36996 0.37055 0.37283 0.37378 0.37465 0.37533 0.37580 0.40108 0.42089 0.42610 0.44238 0.45826 0.46231 0.47918 0.54021 0.57181 0.61270 0.66822 0.76167 0.79192 0.85791 Angle between quadratic step and forces= 76.30 degrees. 1 2 0.00040193 0.00000008 0.00000003 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 2.50923 2.75379 2.60546 2.59358 2.29830 2.31933 2.79234 2.81144 2.54443 2.71344 2.62203 2.59288 2.48234 2.62164 2.89380 2.89519 2.06574 2.88949 2.06457 2.06384 2.81032 2.05764 2.04987 2.06523 2.06806 2.06594 2.57002 2.86227 2.06405 2.06408 2.88706 2.06611 2.06865 2.71250 2.03922 2.84219 2.07520 2.07543 2.57693 2.03544 2.03771 2.56549 2.03867 2.03656 2.03756 2.52065 2.05786 2.05104 2.05129 2.06676 1.86674 2.05565 2.03870 2.16452 2.15304 2.25880 1.86864 1.84383 1.96514 1.94583 1.84910 1.97581 1.89382 1.82308 1.95724 1.90630 1.87668 1.93127 1.91972 1.86978 1.97995 1.86090 1.91894 1.92840 1.90653 1.86541 2.17028 1.94369 2.16741 2.17061 2.07184 2.04039 1.92613 1.93815 1.94834 1.88472 1.88013 1.88402 2.04864 1.91394 2.32003 1.85432 1.88945 1.89532 1.95819 1.96027 1.90357 1.94709 1.90030 1.89758 1.92416 1.92444 1.86828 1.86350 2.19290 2.22673 2.01123 1.91614 1.91525 1.88983 1.88924 1.83355 1.83962 2.12130 2.32186 1.94386 2.13152 2.20712 1.85691 2.22354 2.20273 1.92368 2.02402 2.33547 1.92865 2.12417 2.23036 2.21245 2.00072 2.07001 2.10980 2.13998 2.03341 0.11388 -3.09007 3.03090 0.92438 -1.14014 3.10694 -0.00298 0.00317 3.14140 2.01329 -2.02718 -0.05415 -1.35375 0.88896 2.86199 1.58293 -0.54364 -2.55973 -1.31556 2.84105 0.82497 -0.00430 -3.11741 2.89635 -0.21677 -0.90853 2.20626 2.14359 -1.02480 3.08435 -0.08419 0.01503 3.12967 -3.07014 0.03402 -0.00669 3.09746 -0.00448 -3.10665 0.01445 -3.12258 -1.07132 1.07606 3.09939 2.98490 -1.15090 0.87242 0.96971 3.11710 -1.14277 0.65070 -2.55313 2.88771 -0.31612 -1.33858 1.74078 -3.12896 -1.03951 1.06389 1.02098 3.11044 -1.06935 -1.04149 1.04797 -3.13182 -1.48366 1.61718 0.60483 -2.57751 2.65216 -0.53018 0.00168 3.13245 -3.10149 0.02928 -3.11917 1.03654 -0.99319 -1.05759 3.09812 1.06839 1.09417 -1.03330 -3.06304 -3.13529 1.00896 -0.99785 -1.02166 3.12260 1.11578 1.03751 -1.10142 -3.10823 0.00027 3.13709 -3.13022 0.00660 0.01062 -3.13026 2.16355 -0.97732 -2.14068 1.00163 -0.01831 3.11836 -3.12849 0.00819 -0.00214 -3.13954 -3.13903 0.00676 -3.14124 0.00362 -0.00039 -3.13872 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 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 -0.00001 0.00003 -0.00000 0.00001 -0.00002 -0.00000 -0.00001 -0.00002 0.00002 -0.00001 -0.00004 0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00002 -0.00002 0.00001 -0.00002 0.00000 0.00001 0.00002 -0.00001 0.00001 0.00000 -0.00003 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00002 0.00000 0.00000 -0.00002 0.00001 -0.00002 0.00003 0.00000 0.00002 -0.00002 0.00002 0.00002 -0.00005 0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00001 0.00000 0.00000 0.00001 -0.00004 0.00002 0.00002 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00013 -0.00009 0.00052 0.00053 0.00054 0.00011 -0.00003 0.00002 0.00003 0.00005 0.00006 0.00007 -0.00004 -0.00002 -0.00002 -0.00042 -0.00045 -0.00047 -0.00034 -0.00036 -0.00038 0.00026 0.00033 0.00017 0.00024 -0.00029 -0.00035 -0.00045 -0.00051 -0.00009 -0.00021 0.00003 -0.00008 0.00019 0.00022 0.00005 0.00009 -0.00011 -0.00015 0.00013 0.00005 -0.00004 -0.00004 -0.00003 -0.00004 -0.00005 -0.00003 -0.00003 -0.00004 -0.00003 -0.00028 -0.00024 -0.00025 -0.00022 -0.00028 -0.00025 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00002 -0.00002 -0.00003 0.00005 0.00022 0.00007 0.00024 0.00009 0.00026 0.00002 -0.00004 -0.00014 -0.00020 0.00004 0.00002 0.00004 0.00003 0.00001 0.00003 0.00001 -0.00000 0.00001 -0.00012 -0.00012 -0.00012 -0.00011 -0.00011 -0.00011 -0.00010 -0.00011 -0.00011 -0.00000 -0.00006 0.00005 0.00000 0.00003 0.00002 0.00003 0.00002 0.00003 0.00002 -0.00010 -0.00001 0.00003 0.00013 -0.00001 -0.00003 0.00004 0.00002 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00003 -0.00000 0.00001 -0.00002 -0.00000 -0.00001 -0.00002 0.00002 -0.00001 -0.00004 0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00002 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00002 -0.00002 0.00001 -0.00002 0.00000 0.00001 0.00002 -0.00001 0.00001 0.00000 -0.00003 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00002 0.00000 0.00000 -0.00002 0.00001 -0.00002 0.00003 0.00000 0.00002 -0.00002 0.00002 0.00002 -0.00005 0.00000 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00001 0.00000 0.00000 0.00001 -0.00004 0.00002 0.00002 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00013 -0.00009 0.00052 0.00053 0.00054 0.00011 -0.00003 0.00002 0.00003 0.00005 0.00006 0.00007 -0.00004 -0.00002 -0.00002 -0.00042 -0.00045 -0.00047 -0.00034 -0.00036 -0.00038 0.00026 0.00033 0.00017 0.00024 -0.00029 -0.00035 -0.00045 -0.00051 -0.00009 -0.00021 0.00003 -0.00008 0.00019 0.00022 0.00005 0.00009 -0.00011 -0.00015 0.00013 0.00005 -0.00004 -0.00004 -0.00003 -0.00004 -0.00005 -0.00003 -0.00003 -0.00004 -0.00003 -0.00028 -0.00024 -0.00025 -0.00022 -0.00028 -0.00025 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00002 -0.00002 -0.00003 0.00005 0.00022 0.00007 0.00024 0.00009 0.00026 0.00002 -0.00004 -0.00014 -0.00020 0.00004 0.00002 0.00004 0.00003 0.00001 0.00003 0.00001 -0.00000 0.00001 -0.00012 -0.00012 -0.00012 -0.00011 -0.00011 -0.00011 -0.00010 -0.00011 -0.00011 -0.00000 -0.00006 0.00005 0.00000 0.00003 0.00002 0.00003 0.00002 0.00003 0.00002 -0.00010 -0.00001 0.00003 0.00013 -0.00001 -0.00003 0.00004 0.00002 -0.00001 0.00000 0.00000 0.00001 2.50923 2.75378 2.60549 2.59358 2.29831 2.31931 2.79233 2.81143 2.54441 2.71346 2.62202 2.59284 2.48235 2.62163 2.89380 2.89518 2.06574 2.88950 2.06456 2.06383 2.81031 2.05764 2.04987 2.06522 2.06805 2.06593 2.57000 2.86228 2.06405 2.06407 2.88705 2.06612 2.06865 2.71249 2.03922 2.84221 2.07519 2.07542 2.57692 2.03545 2.03771 2.56547 2.03867 2.03656 2.03757 2.52064 2.05785 2.05104 2.05129 2.06678 1.86673 2.05563 2.03873 2.16450 2.15305 2.25878 1.86865 1.84385 1.96516 1.94582 1.84911 1.97581 1.89379 1.82308 1.95723 1.90630 1.87667 1.93127 1.91973 1.86980 1.97995 1.86090 1.91892 1.92841 1.90651 1.86544 2.17028 1.94371 2.16739 2.17064 2.07187 2.04034 1.92614 1.93814 1.94833 1.88473 1.88014 1.88403 2.04867 1.91393 2.32002 1.85432 1.88945 1.89533 1.95817 1.96028 1.90355 1.94711 1.90029 1.89756 1.92417 1.92444 1.86828 1.86351 2.19286 2.22676 2.01125 1.91614 1.91525 1.88983 1.88923 1.83355 1.83962 2.12128 2.32187 1.94385 2.13151 2.20714 1.85691 2.22355 2.20272 1.92369 2.02403 2.33546 1.92863 2.12417 2.23037 2.21246 2.00072 2.07000 2.10979 2.13998 2.03341 0.11375 -3.09016 3.03142 0.92491 -1.13960 3.10704 -0.00300 0.00320 3.14143 2.01334 -2.02712 -0.05409 -1.35379 0.88894 2.86197 1.58251 -0.54409 -2.56020 -1.31589 2.84069 0.82458 -0.00403 -3.11708 2.89652 -0.21653 -0.90882 2.20591 2.14314 -1.02531 3.08426 -0.08440 0.01506 3.12959 -3.06995 0.03424 -0.00664 3.09755 -0.00459 -3.10680 0.01458 -3.12253 -1.07136 1.07602 3.09936 2.98485 -1.15095 0.87239 0.96968 3.11706 -1.14279 0.65042 -2.55337 2.88746 -0.31633 -1.33886 1.74053 -3.12897 -1.03951 1.06388 1.02098 3.11045 -1.06935 -1.04151 1.04795 -3.13185 -1.48361 1.61740 0.60490 -2.57728 2.65225 -0.52992 0.00169 3.13241 -3.10163 0.02909 -3.11913 1.03656 -0.99315 -1.05756 3.09814 1.06842 1.09418 -1.03331 -3.06302 -3.13541 1.00884 -0.99797 -1.02177 3.12248 1.11567 1.03741 -1.10152 -3.10834 0.00027 3.13704 -3.13017 0.00660 0.01065 -3.13024 2.16359 -0.97730 -2.14065 1.00164 -0.01842 3.11835 -3.12846 0.00831 -0.00215 -3.13956 -3.13900 0.00678 -3.14125 0.00362 -0.00039 -3.13870 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000003 0.001693 0.000402 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.010672e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3278 1.4572 1.3787 1.3725 1.2162 1.2273 1.4776 1.4878 1.3465 1.4359 1.3875 1.3721 1.3136 1.3873 1.5313 1.5321 1.0931 1.5291 1.0925 1.0921 1.4872 1.0889 1.0847 1.0929 1.0944 1.0932 1.36 1.5146 1.0922 1.0923 1.5278 1.0933 1.0947 1.4354 1.0791 1.504 1.0981 1.0983 1.3637 1.0771 1.0783 1.3576 1.0788 1.0777 1.0782 1.3339 1.089 1.0854 1.0855 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 48 118.4169 106.9562 117.78 116.8091 124.018 123.3604 129.4197 107.0652 105.6439 112.5941 111.4879 105.9458 113.2055 108.5079 104.4546 112.1417 109.2229 107.5257 110.6537 109.992 107.1306 113.4428 106.6218 109.9473 110.4891 109.2363 106.8803 124.348 111.3651 124.1834 124.367 118.7078 116.9056 110.3594 111.0479 111.6318 107.9863 107.7237 107.9463 117.3785 109.6608 132.9279 106.2448 108.2576 108.5936 112.1958 112.3153 109.0663 111.56 108.879 108.7233 110.2465 110.2621 107.0446 106.7706 125.6438 127.5823 115.2348 109.7869 109.736 108.2795 108.2454 105.0546 105.4022 121.5416 133.0328 111.3749 122.1268 126.4589 106.3931 127.3993 126.207 110.219 115.9678 133.8128 110.5035 121.7058 127.7901 126.7643 114.633 118.6026 120.8826 122.6116 116.5056 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6.5249 -177.0481 173.6578 52.963 -65.325 178.0143 -0.1705 0.1818 179.9888 115.3533 -116.1488 -3.1027 -77.5643 50.9336 163.9798 90.6954 -31.1485 -146.6618 -75.3758 162.7803 47.267 -0.2462 -178.6146 165.9487 -12.4198 -52.055 126.4096 122.8186 -58.7169 176.7202 -4.8236 0.861 179.3171 -175.9059 1.949 -0.3834 177.4715 -0.2565 -177.9977 0.828 -178.9104 -61.3824 61.6538 177.5818 171.022 -65.9418 49.9861 55.5602 178.5965 -65.4756 37.2826 -146.2834 165.4539 -18.1122 -76.6949 99.7391 -179.2764 -59.5594 60.9564 58.4981 178.2151 -61.2691 -59.6729 60.0441 -179.4402 -85.0074 92.6578 34.6542 -147.6806 151.9577 -30.3771 0.0961 179.4762 -177.7023 1.6778 -178.7151 59.3896 -56.9056 -60.5953 177.5094 61.2142 62.6914 -59.2038 -175.4991 -179.6391 57.8093 -57.1727 -58.5368 178.9116 63.9296 59.4451 -63.1065 -178.0885 0.0156 179.7422 -179.3487 0.3779 0.6086 -179.3504 123.9625 -55.9965 -122.6519 57.3891 -1.0493 178.669 -179.2492 0.4691 -0.1227 -179.8821 -179.8534 0.3871 -179.98 0.2071 -0.0224 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2358.1763050763 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 -0.0584621323 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 3.140681 0.000000 2.250472 4.926251 0.000000 2.947833 4.980177 3.326212 0.000000 2.693073 3.229849 3.578146 2.277060 0.000000 4.007548 4.564793 5.214504 2.293726 2.371604 0.000000 6.119769 5.964329 7.427181 4.400982 4.309494 2.218558 0.000000 2.364872 3.544938 2.433144 2.722943 1.477640 3.720896 5.752347 0.000000 3.706682 4.981670 2.871745 3.184642 2.503418 4.436741 6.329560 1.531332 0.000000 3.477619 2.449166 4.756759 3.635505 1.487751 2.841982 4.208101 2.538904 3.597131 0.000000 1.327829 3.822374 1.216209 2.708606 2.487806 4.232163 6.423479 1.532070 2.557556 3.589431 0.000000 2.942091 4.138102 3.826472 1.227336 1.346455 1.435892 3.614663 2.406457 3.139672 2.503542 2.884279 0.000000 4.901775 5.363436 4.353843 4.218597 3.028795 4.849193 6.359929 2.539288 1.529052 3.635957 3.908920 3.844486 0.000000 3.281226 1.378750 5.105757 4.250602 2.487058 3.353973 4.598352 3.358022 4.714013 1.487156 3.898273 3.219040 4.986588 0.000000 1.457243 4.126286 2.724761 3.780556 4.087243 4.987319 7.036135 3.739570 4.931235 4.852738 2.393392 4.063532 6.246390 4.415376 0.000000 2.377523 4.009480 4.189417 4.470526 4.650253 5.067257 6.832428 4.706061 6.059694 5.087332 3.628850 4.530976 7.231875 4.259926 1.514648 0.000000 3.938052 2.238817 6.006670 4.749227 3.465916 3.453516 4.270091 4.505157 5.871971 2.610790 4.816722 3.767147 6.201594 1.359998 4.772544 4.191080 0.000000 3.757645 5.415503 5.185773 5.659190 6.132703 6.363038 8.022597 6.117052 7.388633 6.610188 4.886554 5.893075 8.645702 5.733408 2.515736 1.527766 5.513872 0.000000 4.401419 5.064141 5.863746 2.956856 3.510347 1.387519 2.260412 4.768101 5.623205 3.871300 4.928778 2.485592 6.186335 3.909535 5.040394 4.785011 3.535700 5.876141 0.000000 5.226730 5.212456 6.347126 3.451095 3.122378 1.372093 1.313597 4.539205 5.039946 3.170189 5.350212 2.539002 5.050554 3.876763 6.301532 6.337780 3.932529 7.651988 2.219286 0.000000 4.199840 2.239340 6.384512 5.709475 4.508111 4.739458 5.613310 5.253618 6.731959 3.719246 5.276087 4.881640 7.181607 2.244213 4.719346 3.861623 1.435394 4.992901 4.642086 5.342788 0.000000 3.744953 1.372462 5.766751 5.789110 4.354793 5.239873 6.447782 4.743817 6.236508 3.605343 4.723768 5.018681 6.711591 2.210958 4.323642 3.746666 2.236822 4.941375 5.403701 5.929357 1.357599 0.000000 5.687153 5.865489 7.168704 4.157226 4.475900 2.188565 1.387313 5.856501 6.622850 4.539759 6.200057 3.572527 6.951739 4.592580 6.358523 5.976270 4.018156 7.012648 1.363654 2.152443 5.184670 6.132497 0.000000 4.937797 5.963295 6.602092 6.683323 7.052775 6.971279 8.317570 7.254015 8.606654 7.310198 6.170264 6.774101 9.766715 6.232327 3.885479 2.560351 5.702723 1.504024 6.263620 8.159611 4.976325 5.183690 7.203235 0.000000 5.209292 5.576134 7.158104 6.839487 6.951597 6.682283 7.758580 7.375397 8.806580 6.966035 6.519171 6.711140 9.814855 5.747666 4.470460 2.970318 4.984992 2.538264 5.899779 7.733468 4.156188 4.619994 6.658539 1.333869 0.000000 2.699107 3.015468 2.946941 3.755592 2.065407 4.423794 6.314664 1.093144 2.145389 2.486369 2.092437 3.265946 2.728566 3.154194 4.063722 4.937270 4.443506 6.366681 5.456382 5.123171 5.029602 4.298630 6.476029 7.449158 7.506191 0.000000 3.956114 5.639780 3.016229 2.637100 2.763037 4.169286 6.050734 2.154123 1.092523 4.076465 2.843639 2.905719 2.170267 5.197687 5.046968 6.179527 6.205665 7.433315 5.295709 4.806736 7.152779 6.817622 6.295020 8.660321 8.908249 3.047245 0.000000 3.978867 5.455531 2.590858 3.935245 3.417531 5.429396 7.390289 2.131896 1.092135 4.455943 2.693021 4.066547 2.161625 5.429499 5.035576 6.319904 6.626735 7.549451 6.542231 6.110620 7.331585 6.679027 7.613006 8.861030 9.186172 2.476839 1.757632 0.000000 3.935089 2.597396 4.897008 4.355744 2.079852 3.842066 5.128456 2.579285 3.441767 1.088855 3.823264 3.327730 3.196271 2.128577 5.353663 5.734780 3.399732 7.258334 4.943588 4.042530 4.304272 3.904320 5.583828 8.023615 7.720334 2.147267 4.157454 4.179951 0.000000 4.399630 3.302225 5.647959 3.966386 2.119248 2.596866 3.431033 3.385401 4.186623 1.084747 4.503911 2.749297 3.970937 2.109807 5.731060 5.854816 2.821027 7.350348 3.663060 2.451913 4.131470 4.297055 4.025962 7.940247 7.485063 3.458776 4.515291 5.155196 1.745915 0.000000 5.811587 6.450959 4.946614 4.873728 4.023868 5.642540 7.051123 3.485735 2.166822 4.694297 4.711754 4.665489 1.092871 6.069300 7.087682 8.159286 7.263540 9.528413 6.981883 5.760528 8.267604 7.799555 7.705286 10.700879 10.805375 3.731376 2.503112 2.500346 4.256353 4.934308 0.000000 5.089037 5.063163 4.663523 4.974010 3.400202 5.447562 6.916946 2.798809 2.176603 3.652940 4.175332 4.469937 1.094368 4.893788 6.455567 7.398880 6.196259 8.833787 6.766323 5.627775 7.052343 6.434021 7.519902 9.925196 9.931335 2.537609 3.082180 2.513741 2.920830 4.090648 1.769361 0.000000 5.077663 5.253856 4.927690 4.027933 2.731603 4.179808 5.442004 2.818025 2.183038 3.159882 4.283775 3.441185 1.093248 4.622524 6.474133 7.285234 5.730987 8.742927 5.560561 4.153968 6.857428 6.571714 6.167702 9.752015 9.676666 3.096777 2.539589 3.080121 2.867285 3.220437 1.765504 1.769215 0.000000 2.076985 5.049150 2.655636 3.482032 4.385089 5.022194 7.093488 4.037270 4.994756 5.387407 2.625228 4.079526 6.412677 5.141840 1.092246 2.176491 5.461746 2.797174 5.008044 6.380849 5.568573 5.313102 6.358732 4.213095 4.938956 4.590765 4.885314 5.085408 5.951772 6.178423 7.148643 6.782138 6.645084 0.000000 2.081255 4.439036 2.744569 4.651900 4.752472 5.956418 8.032389 4.120813 5.233986 5.454399 2.714238 4.933343 6.557994 5.005382 1.092261 2.177969 5.481109 2.815425 6.098697 7.236197 5.255971 4.615842 7.409959 4.223129 4.934362 4.250623 5.479821 5.123441 5.777607 6.421788 7.364410 6.644675 6.935142 1.779175 0.000000 2.595022 3.291742 4.581851 5.022869 4.697561 5.332047 6.997195 4.768980 6.228722 4.835050 3.885391 4.841991 7.260805 3.792479 2.135705 1.093340 3.722138 2.164615 5.149644 6.491912 3.111006 2.815710 6.244945 2.816959 2.906517 4.765367 6.520310 6.490009 5.383598 5.645723 8.251505 7.275031 7.305853 3.063757 2.496732 0.000000 2.572532 4.040837 4.520634 3.955959 4.299331 4.245962 5.879690 4.673393 6.009351 4.726594 3.807610 3.950582 7.105698 3.934966 2.134703 1.094682 3.660346 2.165818 3.786009 5.503025 3.582036 3.819415 4.942259 2.824491 2.925882 5.043083 6.014604 6.442237 5.536251 5.336063 8.037571 7.373393 7.005917 2.506020 3.063747 1.759363 0.000000 4.571565 3.278376 6.578967 4.766702 3.768747 3.051108 3.395933 5.021566 6.266225 3.009321 5.397458 3.769067 6.534074 2.173597 5.373073 4.743285 1.079108 5.989661 2.924070 3.329138 2.261468 3.284663 3.116240 6.076818 5.285634 5.128958 6.451621 7.124495 3.928124 2.854831 7.545675 6.658268 5.917568 5.908019 6.202749 4.451109 4.002098 0.000000 4.061625 6.171262 5.178211 5.498537 6.373463 6.423534 8.104026 6.342030 7.473853 7.048767 5.035398 5.940297 8.812676 6.337933 2.744753 2.162380 6.140441 1.098147 5.872213 7.753351 5.811618 5.838808 7.036290 2.122286 3.237235 6.752706 7.366994 7.623753 7.748783 7.742083 9.621407 9.120496 8.916769 2.575670 3.143592 3.070539 2.520806 6.494506 0.000000 4.071235 5.714369 5.222433 6.298967 6.643610 7.181104 8.942580 6.407246 7.643587 7.120777 5.087434 6.559225 8.931911 6.252736 2.739037 2.161822 6.180991 1.098270 6.824758 8.478031 5.541812 5.247008 7.999570 2.121937 3.230332 6.545368 7.775267 7.656314 7.640204 7.956998 9.793335 9.037005 9.148226 3.108624 2.590393 2.524591 3.071384 6.782184 1.743171 0.000000 3.973217 5.074837 5.507227 2.910179 3.798316 2.156150 3.321841 4.841728 5.805126 4.314262 4.661218 2.756391 6.597084 4.128000 4.330473 3.974393 3.703813 4.927709 1.077110 3.242033 4.545309 5.264138 2.241516 5.323228 5.077114 5.548180 5.466503 6.607618 5.375187 4.346725 7.409772 7.161373 6.119703 4.225445 5.416587 4.485013 2.936226 3.277536 4.851909 5.911689 0.000000 5.587266 5.403136 6.465258 3.809825 3.122874 2.149188 2.138163 4.433677 4.695770 3.090040 5.498880 2.864240 4.409551 4.119678 6.802919 7.000434 4.444876 8.386927 3.247890 1.078308 5.872858 6.296491 3.205375 8.986304 8.588464 4.945562 4.533467 5.787288 3.726362 2.252905 5.043687 4.975658 3.408655 6.914127 7.654503 7.092449 6.264022 3.984225 8.517676 9.138409 4.221678 0.000000 5.001782 3.279560 7.232328 6.480314 5.489811 5.431462 6.078804 6.263746 7.749843 4.742986 6.168903 5.717606 8.236185 3.290533 5.287068 4.178416 2.259482 5.044346 5.088600 6.011300 1.078819 2.176515 5.502205 4.702764 3.668441 6.079709 8.117628 8.345361 5.364278 5.058916 9.318214 8.128341 7.885934 6.100910 5.822351 3.441874 3.868650 2.748788 5.891863 5.630809 4.905253 6.639927 0.000000 4.184357 2.083359 6.058112 6.572220 5.176170 6.242061 7.520437 5.323658 6.798721 4.504637 5.146486 5.899454 7.322269 3.206266 4.550477 3.983263 3.307095 4.979439 6.393824 6.979611 2.242835 1.077699 7.170163 5.191875 4.719763 4.761066 7.449753 7.094978 4.644888 5.271512 8.392041 6.947907 7.306401 5.612466 4.603797 2.925820 4.312418 4.339414 5.971585 5.074653 6.162526 7.319850 2.742535 0.000000 6.485204 6.607099 8.055390 5.080895 5.502959 3.243509 2.158594 6.866512 7.675044 5.503783 7.106740 4.588444 8.029537 5.381566 7.001319 6.440008 4.596224 7.313169 2.196382 3.176418 5.603368 6.690638 1.078232 7.305424 6.671619 7.468245 7.327556 8.648458 6.554132 4.986506 8.780493 8.587170 7.241423 6.981094 8.066656 6.720421 5.363523 3.617491 7.311067 8.352444 2.760169 4.192491 5.723676 7.701519 0.000000 5.882315 7.019734 7.374065 7.574024 8.081345 7.957031 9.271149 8.226025 9.536082 8.387559 7.061324 7.756049 10.748109 7.320316 4.706942 3.526131 6.777651 2.193915 7.189514 9.156758 6.016737 6.210341 8.102708 1.088971 2.087061 8.437827 9.553110 9.736009 9.094567 9.018679 11.656541 10.921175 10.765418 4.909211 4.928877 3.830049 3.830613 7.121608 2.492685 2.500611 6.208819 10.005895 5.667898 6.134969 8.130680 0.000000 6.275473 6.401274 8.243013 7.805598 7.902437 7.478635 8.333825 8.400150 9.841392 7.821018 7.590119 7.638866 10.806852 6.546272 5.554539 4.055668 5.646615 3.514915 6.595489 8.444674 4.745995 5.330637 7.198061 2.107940 1.085365 8.509679 9.938147 10.247576 8.587218 8.266058 11.809151 10.910785 10.621480 5.997763 5.994058 3.937710 3.954598 5.855265 4.123728 4.118831 5.811541 9.334660 4.047648 5.388292 7.066835 2.412417 0.000000 4.615132 4.629940 6.721192 6.208280 6.091715 5.839292 6.881319 6.624247 8.088065 5.982701 5.938819 5.925268 8.994396 4.723787 4.160436 2.665687 3.909192 2.834017 5.136559 6.828617 3.098985 3.680639 5.870284 2.125604 1.085499 6.717921 8.237432 8.541826 6.746626 6.468649 10.011548 9.085076 8.798994 4.744797 4.727143 2.407110 2.440787 4.234543 3.604787 3.591464 4.429374 7.652714 2.660364 3.936984 5.961228 3.074601 1.846054 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2598693 0.1879951 0.1530454 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= 1.46D-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= 703 702 703 703 703 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28301099574 -1165.28301100 1 1.160423320823e+03 -7.432532798407e+03 2.748693418078e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245690984 LenY= 4245181902 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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. 14872 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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= 790000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 5.48D-14 1.00D-09 XBig12= 2.31D+02 4.46D+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= 5.12D+01 9.19D-01. 144 vectors produced by pass 2 Test12= 5.48D-14 1.00D-09 XBig12= 4.71D-01 5.75D-02. 144 vectors produced by pass 3 Test12= 5.48D-14 1.00D-09 XBig12= 2.27D-03 4.07D-03. 144 vectors produced by pass 4 Test12= 5.48D-14 1.00D-09 XBig12= 4.98D-06 1.83D-04. 122 vectors produced by pass 5 Test12= 5.48D-14 1.00D-09 XBig12= 9.61D-09 5.54D-06. 43 vectors produced by pass 6 Test12= 5.48D-14 1.00D-09 XBig12= 1.60D-11 3.02D-07. 3 vectors produced by pass 7 Test12= 5.48D-14 1.00D-09 XBig12= 2.15D-14 1.03D-08. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 888 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 339.31 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 340.710 10.924 374.007 -4.026 6.677 303.199 339.755 8.146 388.443 -8.702 7.546 315.202 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT177484.900S Mon Jan 10 23:03:24 2022 9.28585216e-01 -1.61396874e-01 2.28604280e+00 3.40710427e+02 1.09244124e+01 3.74007244e+02 -4.02593967e+00 6.67698676e+00 3.03199156e+02 -10.0705 -6.1051 -0.0005 0.0005 0.0009 3.1966 11.6526 24.2663 29.5971 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 10.6226 24.0359 29.3764 43.2995 46.6214 50.0409 60.0362 77.5305 80.4842 92.8659 100.2455 102.7238 120.8781 131.5827 147.4188 167.1206 176.2039 203.9619 217.2023 221.9682 237.0933 251.6598 254.7429 322.0464 347.2818 363.8101 374.3514 423.8962 441.3823 493.3593 515.7631 535.1713 565.7601 574.7001 609.4387 617.3977 641.1039 660.2306 677.0127 707.0513 742.9336 749.8355 759.7974 775.9981 778.4779 792.7620 798.3469 845.6410 846.4365 880.5464 885.3018 889.8002 896.8230 898.6081 901.3364 912.6532 920.9718 941.8951 949.0820 950.4078 964.5836 999.9240 1014.9610 1020.2750 1032.9472 1037.8260 1067.0877 1072.7109 1080.2569 1085.8016 1108.8180 1116.5530 1122.0172 1130.6985 1141.6711 1147.7939 1171.3773 1195.4412 1220.7561 1234.8655 1237.9041 1247.3272 1270.0442 1291.3361 1297.5612 1303.3065 1307.9298 1318.3674 1319.0725 1325.3223 1330.8010 1357.5539 1377.3779 1379.5333 1385.8263 1394.1006 1402.1797 1407.6524 1430.9447 1443.3306 1452.6907 1456.0876 1471.6051 1481.9840 1483.5734 1491.6050 1496.6968 1501.9931 1513.6675 1521.5242 1545.8328 1630.0678 1661.3213 1686.7070 1702.4896 2999.4661 3017.9563 3024.4602 3035.6512 3054.9379 3056.3699 3071.7962 3078.3205 3080.6997 3094.3704 3106.1019 3110.4980 3113.6514 3118.9840 3130.7796 3175.6830 3207.1408 3239.4497 3248.9123 3253.0903 3266.3737 3274.4045 3279.5655 5.1332 4.5081 4.0027 3.2905 4.6152 5.1167 4.2588 3.9360 4.0178 4.5251 4.7994 4.2719 4.7231 2.2335 3.2978 2.1526 1.8659 4.3691 4.5787 6.3351 2.6105 4.3707 1.9064 4.7788 7.4848 3.4905 4.0922 3.3588 2.9176 6.2391 4.5012 4.2802 1.2148 2.5635 2.9653 4.3165 4.1991 3.7979 3.5254 5.1333 1.5448 1.2787 3.1741 1.1293 4.4800 1.8459 4.2391 1.4025 1.3312 1.4058 1.7503 1.4188 1.6908 3.3358 4.1931 2.8818 6.3750 1.3401 3.5501 2.7173 2.3760 4.0231 1.8736 1.5925 2.3568 1.0798 2.2726 4.3870 2.1962 1.6703 1.6943 2.3992 2.0214 2.0762 2.4136 1.5905 2.7798 3.8253 1.2210 3.1842 2.8493 1.6345 1.5184 1.4315 1.3929 1.1616 1.4358 4.6036 1.5901 1.2430 1.0755 1.6660 1.5797 1.7692 1.8598 1.5538 2.4924 1.2566 1.5876 1.1878 1.7733 1.0880 1.0554 1.0431 1.0989 1.0773 2.0712 1.0967 1.6049 4.7990 4.3866 6.3502 9.5709 4.4026 12.0054 1.0602 1.0995 1.0361 1.0609 1.0562 1.0619 1.0844 1.1023 1.1000 1.1008 1.1037 1.1105 1.0680 1.0714 1.0781 1.0988 1.1155 1.0934 1.0983 1.0936 1.0989 1.1066 1.1075 0.0003 0.0015 0.0020 0.0036 0.0059 0.0075 0.0090 0.0139 0.0153 0.0230 0.0284 0.0266 0.0407 0.0228 0.0422 0.0354 0.0341 0.1071 0.1273 0.1839 0.0865 0.1631 0.0729 0.2920 0.5319 0.2722 0.3379 0.3556 0.3349 0.8948 0.7055 0.7223 0.2291 0.4988 0.6489 0.9694 1.0169 0.9754 0.9520 1.5120 0.5024 0.4236 1.0796 0.4007 1.5996 0.6835 1.5919 0.5909 0.5619 0.6422 0.8082 0.6618 0.8012 1.5871 2.0070 1.4143 3.1858 0.7005 1.8841 1.4461 1.3025 2.3700 1.1372 0.9767 1.4816 0.6852 1.5247 2.9743 1.5100 1.1602 1.2273 1.7623 1.4993 1.5639 1.8535 1.2346 2.2472 3.2209 1.0721 2.8608 2.5726 1.4983 1.4430 1.4064 1.3818 1.1626 1.4472 4.7143 1.6301 1.2864 1.1222 1.8090 1.7658 1.9837 2.1044 1.7792 2.8872 1.4670 1.9153 1.4578 2.2048 1.3591 1.3467 1.3498 1.4250 1.4122 2.7336 1.4578 2.1665 6.5458 6.1759 9.9414 15.5636 7.3797 20.5019 5.6197 5.9001 5.5838 5.7600 5.8079 5.8443 6.0287 6.1544 6.1511 6.2100 6.2738 6.3305 6.1005 6.1410 6.2263 6.5289 6.7601 6.7604 6.8305 6.8184 6.9076 6.9903 7.0180 0.1102 0.5339 0.3775 1.1585 0.6943 2.6955 2.5446 1.1206 1.0286 2.1216 6.6902 0.8297 5.0531 5.6886 0.3550 2.5175 0.3367 1.4547 5.8747 8.5395 5.3164 4.8007 0.7647 8.0598 6.7033 3.4403 26.2851 22.3393 1.7593 5.9931 32.8102 16.4258 28.4475 8.3075 29.1911 41.8187 15.1501 37.7841 11.5222 10.1580 59.9234 75.7213 71.0568 3.8602 49.1177 69.7407 11.0784 6.5372 60.4528 0.6231 10.4309 0.4349 3.3299 3.4827 33.7988 16.5068 13.5407 100.4375 15.8750 2.8702 31.4195 139.8368 11.8294 115.5707 17.4596 23.6489 62.4670 10.8947 16.0323 75.6260 7.8227 14.4653 59.2522 25.6311 12.9402 25.8683 111.4139 76.6308 15.9275 318.4702 240.8675 27.1833 79.3761 40.4879 22.1598 3.2261 91.8309 12.0861 132.2941 5.7807 2.1106 205.2398 7.1601 70.3033 78.0940 11.2891 8.8029 9.6495 2.1716 1.7507 363.2652 19.3170 8.0699 13.0599 0.9779 26.9294 173.7121 30.8796 61.3238 28.1969 13.0921 11.3122 970.4483 88.5693 791.9010 37.4921 24.4920 39.9470 27.1604 46.2650 25.7853 3.1096 16.2783 14.2726 58.5856 63.4765 63.2503 13.8061 28.4525 11.1963 3.9894 20.1420 1.7845 2.1584 5.9059 9.1942 0.9022 4.7229 -0.02 -0.01 0.05 -0.07 -0.06 0.06 -0.00 -0.03 0.07 0.03 -0.03 0.00 -0.01 0.00 -0.00 0.08 -0.02 -0.02 0.15 0.00 -0.05 -0.02 0.00 0.02 -0.02 0.01 0.00 -0.01 0.02 -0.01 -0.01 -0.02 0.05 0.03 -0.02 -0.01 -0.03 0.03 -0.03 -0.01 -0.04 0.03 -0.01 0.00 0.05 -0.06 0.07 -0.03 0.03 -0.07 0.04 -0.05 0.09 -0.03 0.12 -0.06 0.02 0.09 0.02 -0.06 0.00 -0.11 0.08 -0.06 -0.10 0.09 0.17 -0.04 -0.00 -0.11 0.17 -0.12 -0.17 0.21 -0.20 -0.04 0.01 0.02 0.00 -0.01 -0.01 -0.03 0.00 0.02 -0.06 0.05 -0.02 0.03 0.04 -0.05 -0.03 0.03 -0.04 -0.05 0.04 -0.02 -0.02 0.03 -0.04 -0.02 -0.07 0.06 0.04 0.04 0.11 -0.05 0.14 -0.04 -0.11 0.02 -0.09 0.09 -0.07 0.02 -0.06 0.01 -0.02 0.00 0.14 0.03 0.12 -0.09 0.06 0.06 0.05 -0.10 0.03 -0.15 0.10 -0.10 -0.13 0.12 0.21 -0.06 0.02 -0.10 0.19 -0.11 -0.20 0.26 -0.25 -0.18 0.19 -0.20 -0.02 -0.08 0.04 0.11 0.06 -0.06 -0.02 -0.06 -0.01 0.05 0.01 0.02 0.01 -0.04 0.01 0.04 -0.01 0.06 0.06 -0.01 0.13 -0.03 -0.04 -0.04 -0.03 0.01 -0.12 0.02 -0.08 0.03 -0.02 -0.06 -0.00 0.03 -0.01 0.03 -0.06 0.04 -0.18 0.01 0.02 -0.01 0.00 -0.09 0.07 -0.03 -0.05 0.02 -0.08 0.09 -0.01 -0.01 -0.05 0.06 0.02 -0.01 0.02 0.06 -0.01 0.12 -0.04 0.18 -0.05 0.08 0.16 -0.08 0.03 -0.01 0.06 -0.05 0.00 -0.00 -0.11 0.06 -0.10 -0.09 -0.09 -0.04 0.04 0.03 -0.12 -0.07 0.00 -0.13 0.10 -0.14 0.04 -0.06 -0.12 0.09 -0.06 0.07 -0.24 -0.13 0.02 -0.18 -0.03 0.04 -0.18 0.02 -0.16 0.08 0.02 -0.06 0.14 -0.06 0.03 0.01 -0.05 -0.08 -0.06 -0.17 0.09 0.03 0.01 -0.15 0.07 0.02 -0.01 0.15 -0.01 -0.01 -0.03 0.08 -0.01 0.16 -0.09 0.25 -0.07 0.15 0.20 -0.12 0.02 -0.01 0.05 -0.04 -0.00 0.04 -0.14 0.10 -0.14 -0.13 0.07 -0.14 -0.02 -0.02 -0.02 0.02 0.03 -0.05 -0.04 0.02 -0.09 -0.04 -0.04 0.01 -0.02 -0.03 0.01 0.05 -0.03 0.00 0.17 -0.00 0.01 -0.01 -0.03 0.01 -0.02 -0.04 0.06 -0.03 -0.02 0.01 -0.03 -0.01 -0.04 -0.01 -0.03 0.01 0.01 -0.09 0.13 -0.03 0.02 -0.01 -0.04 0.04 -0.09 -0.03 0.01 0.00 -0.08 0.06 0.01 -0.06 0.11 -0.09 0.09 -0.09 0.00 0.10 0.02 0.01 -0.06 0.10 -0.02 0.00 0.08 -0.05 0.16 -0.07 0.00 -0.05 0.07 0.02 -0.01 -0.04 0.19 0.03 -0.03 0.01 -0.08 -0.02 0.08 0.00 -0.04 0.03 0.00 -0.04 0.01 -0.06 -0.04 0.01 0.00 -0.09 0.16 0.07 -0.12 0.12 -0.00 -0.09 0.18 -0.07 0.16 -0.10 -0.03 0.00 -0.21 0.01 -0.12 0.01 -0.06 0.06 0.14 -0.13 0.07 0.04 -0.11 0.26 -0.10 -0.05 0.05 -0.25 0.06 -0.14 0.00 0.08 0.07 0.01 -0.09 0.14 -0.01 0.04 0.09 -0.08 0.21 -0.10 0.00 -0.07 0.13 -0.05 -0.00 -0.06 0.26 0.01 -0.11 0.26 0.01 -0.08 0.10 0.02 0.01 0.04 -0.04 0.00 -0.02 0.13 -0.02 0.03 0.04 -0.00 0.02 0.03 -0.01 0.01 -0.09 -0.04 -0.05 -0.01 -0.00 0.02 -0.01 0.04 -0.03 0.03 0.00 0.02 -0.01 -0.03 0.03 0.07 -0.01 0.02 -0.04 0.12 -0.11 0.03 -0.00 0.02 -0.02 -0.02 0.01 -0.01 -0.04 0.06 0.04 -0.01 0.00 -0.08 0.09 -0.14 -0.02 0.02 -0.02 -0.02 -0.05 -0.02 0.04 -0.01 0.01 0.03 0.00 0.04 -0.08 0.01 -0.06 -0.07 0.07 -0.09 0.00 -0.05 0.12 -0.04 -0.01 0.02 0.06 0.01 -0.05 -0.06 0.04 0.01 0.03 0.01 0.02 0.04 0.00 0.01 -0.04 0.15 -0.14 -0.10 0.16 -0.09 0.01 0.13 -0.16 -0.07 0.07 0.01 0.01 -0.05 -0.09 0.11 -0.18 0.06 -0.08 0.00 0.24 0.05 -0.02 -0.02 -0.21 0.27 -0.14 -0.02 0.04 -0.35 0.01 0.06 -0.02 -0.00 -0.09 -0.00 0.04 -0.02 0.01 0.02 0.01 0.05 -0.13 0.03 -0.08 -0.13 0.17 -0.24 0.01 -0.06 0.14 0.06 -0.15 0.28 -0.03 -0.03 -0.02 0.08 -0.02 0.02 -0.06 0.02 -0.09 -0.05 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.02 -0.00 -0.02 -0.04 0.03 0.01 0.09 -0.02 0.00 -0.04 -0.01 -0.05 -0.02 0.00 -0.00 -0.00 0.02 0.07 0.11 -0.05 -0.05 -0.02 -0.02 -0.00 -0.05 0.00 0.04 0.14 -0.08 -0.11 0.01 0.03 0.14 -0.07 -0.02 -0.14 0.04 0.02 0.07 0.13 -0.07 -0.07 0.09 -0.03 0.01 -0.05 -0.01 -0.13 -0.06 0.09 0.19 -0.17 0.12 0.12 0.00 -0.02 -0.02 -0.08 0.06 0.02 -0.05 0.03 -0.03 0.11 -0.01 0.02 0.11 -0.00 0.04 -0.02 0.04 0.09 0.03 -0.02 0.05 0.01 0.02 0.11 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.12 0.02 0.04 -0.05 -0.01 -0.00 0.17 -0.10 -0.16 0.09 -0.00 0.13 0.02 0.06 0.20 -0.12 -0.03 -0.24 0.08 0.04 0.18 0.14 -0.09 -0.10 0.07 -0.01 0.06 -0.08 -0.02 -0.21 -0.00 0.10 0.29 -0.21 0.15 0.16 -0.23 0.10 0.02 -0.03 0.12 -0.04 0.02 -0.02 0.00 0.09 -0.08 0.24 -0.16 -0.02 0.01 -0.05 -0.01 0.03 -0.04 -0.01 0.01 0.09 0.02 0.07 -0.03 -0.01 0.02 0.02 -0.05 -0.06 0.01 -0.01 0.02 0.02 0.01 0.09 -0.10 -0.01 0.02 -0.07 0.03 -0.23 0.03 -0.03 -0.02 -0.02 0.10 -0.02 -0.01 0.09 -0.02 0.04 -0.05 -0.07 -0.02 0.08 -0.05 -0.05 -0.07 -0.07 0.04 0.04 0.09 0.04 -0.05 -0.07 0.03 -0.03 -0.03 0.04 -0.05 -0.03 0.03 0.01 0.01 0.10 -0.04 0.10 -0.09 -0.01 0.03 0.12 -0.15 -0.10 0.02 -0.04 0.05 0.03 -0.01 0.04 0.02 -0.01 0.05 -0.03 -0.03 -0.27 -0.18 0.15 -0.18 -0.09 0.02 -0.37 -0.01 0.09 -0.02 -0.03 0.11 -0.00 0.01 0.08 -0.02 0.00 0.11 -0.01 0.05 -0.06 -0.09 -0.04 0.15 -0.06 -0.06 0.04 -0.11 -0.11 -0.12 -0.14 0.05 0.10 0.16 0.05 -0.06 -0.10 0.03 -0.02 -0.02 0.06 -0.08 -0.08 0.01 0.00 -0.03 0.14 -0.09 0.14 0.12 -0.03 0.14 -0.01 -0.01 -0.09 0.08 -0.04 -0.13 -0.02 -0.09 0.10 -0.07 -0.03 -0.04 0.04 -0.00 -0.02 -0.01 -0.02 -0.02 -0.07 -0.04 -0.05 0.02 0.00 0.02 -0.00 0.02 0.06 0.05 0.03 -0.04 -0.00 -0.04 0.02 -0.01 -0.02 -0.03 0.00 0.16 -0.00 0.05 0.01 -0.03 -0.01 -0.02 -0.07 -0.03 -0.01 -0.06 0.03 0.05 0.07 0.01 0.02 0.02 0.07 0.02 0.17 -0.09 -0.06 -0.15 0.04 0.02 0.03 0.07 -0.04 -0.09 0.02 0.01 0.15 -0.03 0.04 0.10 -0.10 0.03 0.10 0.03 0.02 0.02 0.02 -0.08 0.03 -0.06 0.02 0.17 0.02 0.07 -0.03 0.08 0.05 -0.08 -0.01 0.16 0.04 -0.02 0.28 0.03 0.05 0.16 -0.13 0.00 -0.03 -0.07 -0.01 -0.01 -0.05 -0.08 0.01 -0.05 -0.03 -0.02 -0.09 0.00 0.09 0.16 0.08 0.02 0.01 0.01 0.02 0.04 0.14 0.05 0.30 -0.14 -0.10 -0.28 0.03 0.04 0.09 0.09 -0.08 -0.17 0.05 0.03 0.26 0.01 0.06 0.16 -0.12 0.05 0.16 -0.14 0.01 0.04 0.02 -0.00 -0.07 0.02 -0.05 0.00 -0.01 0.01 -0.07 -0.07 -0.01 0.03 0.04 -0.02 0.04 0.01 -0.01 0.03 0.01 -0.00 -0.07 0.04 -0.02 0.02 0.02 -0.01 0.05 -0.00 -0.04 0.05 0.01 -0.00 -0.04 -0.01 -0.01 0.04 0.02 0.17 -0.05 -0.02 -0.02 0.09 0.01 0.01 -0.10 0.01 0.01 -0.08 -0.07 0.05 0.20 0.04 -0.03 -0.00 -0.05 -0.05 -0.12 0.04 0.02 0.05 -0.06 0.05 0.19 -0.01 -0.00 0.06 -0.04 -0.05 -0.18 0.03 -0.02 0.02 -0.00 0.01 -0.04 0.08 -0.03 0.01 0.07 -0.13 0.01 -0.03 -0.01 0.19 -0.01 -0.06 0.03 -0.01 -0.05 0.05 0.01 0.14 0.01 -0.02 0.33 0.01 0.06 0.17 -0.23 -0.00 0.03 -0.10 0.01 0.00 -0.12 -0.04 0.03 -0.08 0.04 0.00 -0.13 -0.12 0.08 0.28 0.10 -0.06 -0.01 0.02 -0.02 0.05 -0.09 -0.08 -0.17 0.08 0.05 0.15 -0.10 0.10 0.26 0.02 -0.02 0.01 -0.07 -0.07 -0.30 0.06 -0.05 0.08 -0.01 0.01 -0.02 -0.03 0.03 -0.10 0.03 -0.03 -0.00 -0.06 0.10 0.16 -0.01 0.05 -0.15 -0.11 -0.05 -0.03 0.02 -0.03 -0.01 -0.05 -0.04 -0.03 0.03 -0.03 0.08 0.04 -0.03 0.01 0.03 -0.05 0.07 0.01 -0.01 -0.02 0.01 -0.00 -0.05 -0.06 -0.04 -0.02 0.01 0.16 -0.06 0.00 0.02 -0.02 0.02 0.00 -0.04 0.03 -0.01 0.01 0.04 -0.04 -0.14 0.03 -0.01 0.00 0.00 -0.05 0.07 -0.03 -0.03 -0.01 0.01 0.02 -0.04 -0.05 0.10 0.14 0.05 -0.04 0.13 0.02 -0.01 -0.01 0.02 0.01 -0.03 0.09 -0.01 0.01 0.07 -0.23 0.02 -0.02 -0.05 0.26 0.02 0.00 -0.01 -0.01 -0.02 -0.05 0.02 0.10 0.02 -0.02 0.40 0.01 0.04 0.16 -0.31 0.01 0.05 -0.04 0.02 -0.02 -0.09 0.02 -0.05 0.01 0.03 -0.00 0.03 0.09 -0.10 -0.28 0.02 -0.02 0.00 0.03 -0.01 0.01 0.01 -0.05 0.09 -0.06 -0.03 -0.07 0.02 -0.00 -0.09 -0.10 0.17 0.28 0.10 -0.04 0.21 0.03 -0.01 -0.00 0.02 0.01 -0.04 0.02 0.02 -0.04 -0.03 -0.00 -0.13 -0.00 0.08 0.15 0.00 -0.14 0.14 0.05 0.02 -0.04 0.05 -0.01 -0.03 0.04 0.01 -0.01 -0.03 -0.01 0.02 -0.01 -0.01 -0.05 -0.02 0.05 -0.08 0.05 -0.02 -0.03 -0.01 -0.06 -0.01 0.05 0.01 -0.03 0.01 -0.08 0.04 0.04 0.01 -0.00 -0.04 -0.01 -0.13 -0.07 0.02 -0.17 0.05 0.00 -0.02 -0.03 -0.01 -0.07 0.01 0.05 -0.01 0.01 -0.02 0.01 -0.00 0.08 0.12 -0.03 0.12 0.22 -0.03 0.03 0.01 -0.02 -0.04 0.02 -0.05 -0.06 0.04 -0.04 -0.02 -0.05 -0.07 0.20 -0.03 -0.02 0.05 -0.24 0.07 -0.03 -0.03 0.04 -0.03 -0.01 -0.01 0.01 -0.01 0.05 -0.28 -0.02 0.04 -0.07 0.25 -0.05 -0.06 -0.12 -0.01 0.01 -0.09 -0.13 0.09 -0.16 -0.06 -0.01 -0.25 0.08 -0.04 -0.12 0.05 -0.01 -0.08 -0.07 -0.02 -0.04 0.02 0.08 -0.03 0.02 -0.06 0.01 -0.02 0.10 0.15 -0.07 0.19 0.35 -0.06 0.05 0.02 0.01 -0.05 0.08 -0.04 -0.08 0.12 -0.08 -0.05 -0.01 0.03 -0.01 -0.03 -0.12 0.01 0.01 -0.00 -0.03 0.06 0.24 -0.01 0.05 0.00 0.00 0.01 0.04 -0.01 0.01 0.01 -0.01 0.09 0.03 0.00 0.04 0.02 -0.00 0.09 -0.11 -0.00 0.02 0.02 -0.01 0.03 0.10 -0.00 0.03 0.03 0.13 0.04 -0.12 0.02 0.03 -0.01 0.02 -0.12 -0.02 0.04 -0.15 -0.08 -0.04 -0.09 0.03 0.00 -0.02 -0.01 0.03 -0.04 0.05 -0.03 0.09 -0.05 -0.08 -0.19 -0.07 -0.05 -0.12 -0.02 0.02 0.01 0.02 -0.01 0.09 -0.05 0.02 0.04 0.06 0.03 0.04 0.04 -0.09 0.06 -0.02 -0.00 0.19 -0.11 -0.03 -0.00 -0.14 -0.02 0.02 0.02 0.11 0.09 0.02 0.25 0.07 0.06 0.13 -0.09 -0.08 0.03 -0.11 0.03 0.02 -0.16 -0.10 0.10 -0.14 0.00 0.02 -0.23 -0.07 -0.05 -0.12 0.14 -0.01 -0.03 -0.02 -0.00 0.04 -0.02 0.05 -0.11 0.07 -0.05 0.12 -0.01 -0.13 -0.30 -0.06 -0.06 -0.15 -0.06 0.03 -0.00 0.09 -0.05 0.23 -0.05 0.00 0.13 -0.12 0.05 -0.10 0.04 -0.03 -0.05 -0.05 -0.02 -0.05 0.03 -0.09 0.10 -0.04 0.01 -0.09 0.03 0.02 -0.08 -0.06 0.02 -0.10 0.06 0.04 0.18 0.04 0.02 -0.04 0.02 0.02 0.04 -0.01 0.02 -0.08 0.03 -0.03 0.00 -0.03 0.02 -0.09 0.07 0.08 0.09 -0.03 0.01 -0.04 0.07 -0.13 0.08 0.07 -0.13 0.09 -0.03 0.02 0.03 0.03 -0.00 -0.04 -0.08 0.03 -0.13 0.03 0.03 0.09 -0.04 -0.00 0.06 -0.06 -0.02 0.01 -0.01 0.04 0.03 -0.04 0.08 -0.08 -0.05 -0.00 0.05 0.06 0.07 -0.03 -0.03 -0.02 0.04 0.00 0.02 0.08 -0.04 0.02 -0.10 -0.01 0.02 -0.08 0.04 0.07 0.17 0.13 0.13 0.10 0.09 0.08 0.04 0.15 -0.18 0.07 0.01 -0.11 0.16 0.15 -0.20 0.09 0.01 -0.12 0.19 -0.01 0.04 0.05 -0.06 0.05 -0.03 0.14 0.01 -0.13 -0.14 0.03 -0.27 0.05 0.04 0.15 -0.05 0.00 0.12 -0.08 -0.04 0.00 -0.01 0.05 0.06 -0.08 0.22 -0.22 -0.11 0.07 0.00 -0.01 -0.14 0.19 -0.04 0.00 0.11 0.04 -0.04 -0.10 -0.02 0.06 -0.05 0.11 -0.11 -0.04 -0.02 0.01 -0.05 -0.04 -0.07 -0.14 0.02 -0.07 0.17 -0.04 0.01 0.00 -0.05 0.01 0.03 0.04 0.03 -0.07 -0.03 0.02 0.02 0.03 -0.06 -0.08 -0.03 0.05 0.04 0.06 -0.01 -0.08 -0.04 0.09 0.08 -0.10 0.18 -0.07 0.04 0.03 0.05 -0.07 0.05 0.03 -0.05 -0.02 -0.11 0.01 -0.09 0.03 0.01 0.03 0.13 0.01 -0.01 0.03 -0.01 -0.02 0.08 0.03 -0.06 0.02 0.14 -0.01 -0.02 -0.04 0.04 0.01 -0.06 -0.00 0.02 -0.06 0.01 0.04 0.03 0.07 -0.05 0.09 0.06 -0.07 -0.04 0.05 0.06 -0.02 0.06 0.04 -0.01 0.05 0.02 -0.07 -0.02 0.10 0.07 0.15 0.14 -0.14 0.35 -0.08 -0.09 0.11 -0.24 0.04 0.06 0.10 -0.02 -0.00 0.03 -0.18 0.03 0.10 -0.08 0.00 -0.21 0.03 -0.13 0.04 -0.02 0.06 0.23 -0.01 -0.03 0.02 -0.01 0.00 0.16 0.02 -0.19 0.07 0.22 -0.11 -0.01 0.15 0.11 -0.06 0.03 -0.04 0.03 -0.01 0.00 0.02 0.00 0.00 -0.04 -0.06 0.03 -0.01 0.01 -0.01 0.01 -0.00 0.02 0.04 -0.00 0.02 -0.04 0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.02 -0.02 0.02 0.01 0.02 0.02 0.01 -0.02 -0.01 0.02 0.07 -0.10 0.15 -0.04 0.07 -0.15 -0.02 -0.01 -0.01 -0.01 0.03 -0.06 0.01 0.00 0.03 -0.01 0.03 -0.01 -0.01 -0.01 -0.03 -0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.00 0.02 -0.01 0.02 -0.05 0.09 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 0.00 -0.02 -0.03 0.01 0.02 0.02 0.03 0.04 0.03 0.01 0.03 0.02 0.00 0.10 -0.44 0.18 0.15 0.05 0.44 -0.07 0.36 -0.17 -0.12 -0.06 -0.40 -0.02 -0.02 -0.02 0.06 -0.02 -0.06 -0.04 0.04 0.01 0.01 -0.01 0.05 -0.01 0.05 -0.01 -0.00 -0.01 -0.06 0.01 0.00 -0.02 0.01 -0.00 -0.04 -0.01 0.05 -0.05 0.03 -0.06 0.13 0.04 -0.08 0.13 -0.06 0.02 -0.08 0.01 -0.03 0.03 0.02 -0.08 0.02 -0.02 0.02 -0.03 0.03 -0.05 -0.02 0.05 -0.02 0.05 -0.02 -0.03 -0.04 -0.03 -0.04 -0.07 -0.10 0.10 -0.04 -0.01 -0.10 0.01 -0.02 -0.04 -0.05 0.02 -0.02 0.00 0.03 0.16 0.12 -0.03 -0.06 0.01 0.01 0.05 0.04 -0.00 0.06 0.11 -0.06 -0.05 -0.04 -0.02 0.05 0.07 0.03 -0.01 0.03 0.01 -0.04 0.01 -0.04 -0.00 -0.06 0.00 0.01 -0.01 -0.01 -0.02 -0.02 0.03 0.03 -0.04 0.16 0.05 -0.03 -0.03 -0.09 -0.08 -0.16 0.22 -0.00 -0.20 0.08 -0.15 0.01 -0.15 -0.01 -0.05 -0.12 0.04 -0.08 0.37 0.12 0.07 -0.01 0.06 0.21 0.19 0.29 0.11 0.05 0.02 -0.01 0.06 0.07 -0.00 0.03 0.11 -0.00 0.07 0.13 -0.09 -0.08 -0.06 -0.06 0.01 0.08 -0.01 0.06 0.09 0.05 0.00 0.06 0.02 -0.05 0.01 -0.05 0.02 -0.10 0.03 0.05 -0.01 -0.03 -0.01 -0.05 -0.03 -0.01 -0.14 0.20 0.01 -0.14 0.23 0.08 0.07 0.05 -0.03 0.05 -0.03 0.02 0.02 0.00 0.02 -0.01 -0.06 -0.07 0.03 0.05 0.01 0.03 -0.06 -0.03 -0.05 0.02 -0.02 0.03 0.02 0.02 0.01 -0.00 0.13 -0.09 -0.01 0.04 0.02 0.02 0.00 0.02 -0.03 -0.02 0.01 0.02 0.03 -0.01 -0.03 0.04 0.05 0.02 -0.01 -0.02 0.03 -0.02 -0.03 -0.01 0.03 0.04 0.03 0.02 -0.06 -0.03 -0.06 -0.02 -0.03 -0.01 -0.02 0.01 -0.02 -0.02 -0.00 -0.02 -0.03 0.02 -0.04 0.03 0.04 -0.01 0.05 -0.02 0.02 -0.01 -0.04 -0.02 0.01 0.01 0.33 -0.04 -0.05 0.12 -0.30 -0.04 0.04 0.02 -0.02 0.03 -0.01 -0.04 0.32 -0.24 -0.09 -0.38 -0.11 0.21 0.06 0.37 -0.03 0.02 -0.02 0.04 -0.03 -0.07 0.06 -0.04 -0.03 0.02 -0.01 0.00 -0.00 0.03 0.04 0.04 0.11 -0.07 0.02 -0.02 -0.13 -0.05 -0.08 -0.03 -0.04 0.01 -0.02 0.03 -0.05 -0.06 -0.00 -0.05 -0.07 0.05 -0.06 0.06 0.09 -0.05 0.17 -0.02 0.00 0.07 -0.08 0.06 -0.14 0.01 -0.04 0.05 0.01 -0.01 -0.01 0.01 -0.03 0.01 -0.03 0.05 -0.04 0.01 -0.01 -0.03 0.01 0.03 0.02 -0.00 0.03 -0.02 0.00 -0.01 -0.02 0.00 -0.03 0.02 0.00 -0.03 -0.02 0.01 -0.03 0.01 -0.00 0.02 -0.01 0.02 0.00 0.02 0.00 -0.02 -0.02 0.01 -0.01 0.04 -0.01 0.00 0.04 -0.01 -0.01 -0.01 -0.06 0.07 -0.10 0.01 0.03 0.01 0.01 0.03 0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.03 -0.02 0.04 -0.08 0.12 -0.00 0.04 -0.07 0.00 0.00 -0.01 -0.02 -0.08 0.01 0.00 -0.03 0.06 0.01 -0.03 -0.02 -0.00 -0.03 -0.01 0.02 -0.06 0.09 0.06 0.10 0.04 -0.02 -0.00 -0.07 0.00 -0.01 0.04 0.03 -0.01 0.03 0.10 -0.08 0.04 -0.07 0.02 0.16 -0.01 -0.01 -0.01 -0.13 0.36 -0.12 -0.12 -0.05 -0.37 0.01 0.03 0.01 0.01 0.03 0.01 -0.02 0.02 0.02 -0.00 0.02 0.02 -0.01 0.03 -0.03 0.15 -0.28 0.41 0.07 -0.07 0.08 -0.11 0.24 -0.38 -0.06 0.24 -0.17 0.03 -0.01 0.03 0.08 0.11 -0.02 0.08 -0.07 0.05 -0.05 0.01 0.02 0.02 -0.05 -0.03 -0.01 -0.07 0.01 -0.01 0.03 -0.02 -0.01 0.02 -0.01 -0.00 -0.01 0.04 -0.00 0.14 -0.08 0.02 -0.03 0.02 0.00 0.04 0.01 0.01 -0.03 0.03 0.01 -0.02 0.14 0.05 -0.05 0.04 -0.01 -0.02 0.00 -0.03 -0.02 -0.11 0.02 -0.04 -0.01 0.01 -0.08 -0.01 -0.00 0.01 -0.00 0.03 0.02 0.01 -0.00 -0.05 0.02 -0.03 -0.06 0.02 -0.15 -0.05 -0.00 0.03 -0.02 -0.04 -0.03 0.03 -0.01 -0.02 0.02 -0.01 -0.00 -0.02 0.03 0.01 -0.00 0.07 -0.00 0.01 0.06 0.05 0.09 0.02 -0.01 0.04 -0.03 0.20 -0.27 0.14 -0.15 0.05 0.44 0.16 -0.03 0.03 0.01 -0.05 0.07 -0.04 -0.03 -0.00 -0.11 0.17 -0.12 -0.03 -0.09 -0.29 0.03 -0.02 -0.01 0.01 -0.10 -0.02 -0.01 0.03 -0.02 0.05 0.04 0.02 -0.01 -0.03 0.04 0.04 -0.05 0.15 -0.18 -0.04 0.12 -0.23 -0.06 -0.14 0.03 0.04 0.20 0.05 -0.06 0.00 0.20 0.06 0.01 -0.03 0.05 -0.06 0.01 -0.03 -0.05 -0.02 0.02 -0.00 0.01 0.03 -0.02 0.04 -0.02 -0.03 0.04 -0.01 -0.03 0.01 -0.08 -0.03 0.08 0.02 0.07 -0.02 0.01 -0.04 0.13 0.08 0.05 0.00 -0.10 -0.02 -0.07 0.12 -0.02 -0.04 0.05 -0.01 -0.05 -0.06 -0.03 -0.07 -0.10 0.02 -0.01 0.01 0.01 -0.01 0.04 -0.02 -0.05 0.02 -0.01 0.02 0.02 0.01 0.01 0.02 -0.01 -0.10 -0.08 -0.04 -0.19 -0.12 0.02 -0.01 -0.00 -0.02 0.02 0.01 -0.02 -0.00 -0.01 -0.03 -0.02 -0.09 -0.05 0.03 -0.06 -0.01 0.04 0.25 0.05 0.14 -0.02 0.02 0.29 0.11 0.14 -0.23 0.27 -0.00 -0.02 0.06 -0.20 -0.04 0.05 -0.01 0.05 0.08 -0.04 -0.11 -0.08 -0.04 -0.06 -0.21 0.03 -0.11 -0.08 0.14 -0.01 -0.00 0.02 -0.02 0.06 -0.02 -0.08 0.07 -0.01 0.05 0.07 0.03 0.03 0.01 -0.00 -0.10 0.01 -0.07 -0.25 -0.05 0.03 -0.20 -0.22 0.05 -0.01 0.03 0.03 -0.11 0.07 -0.03 0.04 0.04 -0.03 -0.26 -0.03 -0.08 0.10 0.00 -0.01 0.29 -0.04 0.08 -0.08 -0.14 0.06 0.02 0.00 0.02 0.03 -0.01 0.00 -0.00 0.06 -0.03 0.01 0.01 0.02 0.08 -0.03 -0.03 0.01 -0.03 -0.02 -0.04 0.14 0.01 -0.03 0.04 0.02 -0.03 0.02 0.02 0.04 0.09 0.03 -0.05 -0.02 0.01 0.13 0.11 -0.03 0.16 -0.20 0.10 0.03 -0.05 -0.02 -0.07 -0.06 -0.05 -0.10 0.05 -0.03 -0.04 -0.03 -0.01 -0.05 -0.04 -0.00 0.01 0.01 0.02 0.04 -0.02 0.00 0.05 -0.01 0.01 0.04 0.02 -0.04 -0.10 -0.01 -0.04 0.01 0.00 -0.09 -0.04 -0.09 -0.03 0.02 -0.03 0.03 -0.03 0.05 0.02 -0.02 0.03 0.01 -0.02 0.02 0.02 -0.01 0.03 0.02 0.12 0.13 0.05 -0.06 -0.04 0.02 -0.06 -0.02 0.03 0.18 0.26 -0.09 0.23 -0.35 0.13 0.09 -0.14 -0.03 -0.11 -0.14 -0.09 -0.28 0.14 -0.09 -0.05 -0.02 -0.02 -0.06 -0.03 -0.00 -0.05 -0.05 0.01 -0.00 -0.02 0.02 0.05 -0.01 0.13 -0.02 -0.01 0.01 -0.05 -0.05 -0.02 0.07 0.04 -0.01 -0.00 0.01 -0.12 0.00 0.00 0.02 0.00 0.04 -0.03 0.00 0.05 -0.05 -0.00 -0.02 0.04 -0.01 -0.00 -0.00 0.02 0.01 -0.04 0.01 -0.04 0.00 -0.03 -0.03 0.17 -0.01 0.01 -0.01 -0.03 0.01 0.01 -0.07 -0.02 0.08 -0.03 0.00 0.02 0.01 0.04 -0.06 0.00 -0.02 -0.07 0.01 -0.00 -0.08 0.08 0.01 -0.04 0.01 0.04 0.03 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.03 0.02 -0.03 -0.03 0.09 -0.03 0.04 0.06 -0.10 -0.11 -0.03 -0.03 0.05 0.01 0.01 0.09 -0.44 0.29 0.26 0.32 0.07 -0.33 -0.09 -0.30 -0.03 0.04 -0.01 0.01 0.00 -0.04 -0.04 0.01 0.01 -0.02 0.02 0.01 -0.14 -0.05 0.08 -0.02 -0.02 0.02 -0.03 0.01 0.04 0.01 0.07 -0.09 0.00 -0.05 -0.09 0.01 0.00 -0.20 0.15 0.03 -0.10 0.01 0.06 0.09 -0.02 -0.02 -0.01 0.02 -0.01 -0.02 0.02 0.01 0.01 -0.04 -0.01 -0.08 -0.08 0.09 -0.02 0.08 -0.08 -0.05 0.07 0.02 0.03 0.10 -0.03 0.03 -0.10 -0.01 0.04 0.03 0.03 -0.01 0.07 -0.05 -0.03 0.07 0.01 -0.07 0.02 0.05 0.01 0.02 -0.06 -0.07 -0.00 -0.01 0.04 0.13 -0.00 -0.02 -0.01 0.17 0.02 -0.02 0.02 0.03 -0.11 0.06 0.09 0.09 0.11 0.05 -0.16 0.01 0.06 -0.06 -0.08 0.03 -0.06 0.06 0.02 0.08 -0.05 0.01 -0.03 -0.06 -0.04 0.02 -0.06 -0.00 -0.10 -0.07 -0.00 -0.02 -0.05 -0.02 0.07 -0.10 -0.05 0.06 0.07 -0.06 0.06 0.00 -0.13 0.09 0.02 0.03 -0.10 -0.03 -0.04 0.13 -0.16 0.18 0.29 0.18 0.01 0.01 -0.02 -0.17 0.07 0.00 0.01 -0.01 0.04 0.06 -0.12 0.04 0.09 -0.13 0.05 0.09 0.19 0.15 0.07 -0.21 -0.01 0.07 -0.20 -0.01 0.06 -0.10 -0.15 0.05 -0.08 0.13 0.03 0.15 -0.15 -0.00 -0.08 -0.15 -0.09 0.08 -0.10 -0.03 -0.13 -0.13 -0.03 0.02 -0.09 -0.06 0.01 0.01 0.00 0.03 -0.01 0.06 -0.03 0.01 -0.06 0.03 0.02 0.02 -0.01 -0.00 0.02 -0.04 -0.01 0.01 0.01 -0.02 0.06 -0.01 -0.03 -0.01 -0.04 0.00 -0.04 -0.07 0.09 -0.10 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.02 -0.01 0.02 -0.00 0.02 0.04 0.01 0.02 -0.07 0.01 0.01 -0.02 0.05 -0.02 -0.04 0.03 0.01 -0.04 0.07 -0.01 -0.03 0.00 -0.04 0.04 0.00 -0.02 0.04 -0.00 -0.00 0.03 -0.04 -0.01 0.02 -0.01 -0.04 -0.01 0.04 0.02 -0.00 -0.01 0.01 0.01 -0.11 -0.04 -0.04 -0.11 0.22 -0.05 -0.10 0.08 -0.23 0.07 -0.02 0.03 -0.04 -0.02 0.03 0.04 -0.34 0.40 0.32 0.37 0.10 -0.30 -0.02 -0.25 -0.06 0.05 -0.01 0.02 -0.01 -0.07 0.06 -0.01 -0.04 0.07 -0.01 -0.04 0.06 0.02 -0.03 0.09 -0.02 -0.03 0.08 -0.00 -0.02 0.00 -0.05 0.05 0.00 -0.01 0.05 -0.00 -0.00 0.09 -0.07 -0.02 0.04 -0.01 -0.05 -0.04 0.05 0.06 0.01 -0.04 0.03 0.04 -0.03 -0.03 -0.00 0.03 -0.01 -0.05 0.01 -0.08 -0.09 -0.16 0.05 0.05 -0.05 -0.09 0.11 -0.04 0.05 0.06 0.04 0.00 -0.01 -0.01 -0.01 0.01 0.08 0.07 0.05 0.20 0.06 -0.09 -0.02 0.02 0.03 -0.00 0.06 0.03 -0.01 0.01 0.06 0.25 0.01 -0.06 0.01 -0.10 -0.10 -0.01 -0.06 -0.03 -0.09 -0.02 0.03 -0.04 -0.08 -0.12 -0.09 0.02 0.05 0.03 0.03 -0.00 0.03 -0.02 0.00 -0.09 0.03 0.03 -0.05 0.03 0.04 -0.01 0.02 0.00 -0.06 -0.01 0.02 0.05 0.02 -0.01 0.04 0.05 0.05 0.24 0.15 -0.07 0.21 0.06 -0.18 -0.05 0.07 0.05 0.06 0.08 0.04 0.23 -0.04 0.05 0.36 0.05 -0.06 0.21 0.00 -0.07 0.02 -0.07 -0.03 -0.01 -0.05 -0.00 -0.13 -0.03 0.03 -0.14 -0.04 0.03 -0.08 -0.10 -0.13 -0.10 0.03 0.05 -0.10 0.02 0.03 0.05 0.06 -0.00 0.04 -0.05 -0.00 -0.14 0.10 0.12 -0.05 0.09 0.12 -0.03 0.04 0.00 -0.09 -0.08 -0.01 0.12 -0.05 -0.07 0.09 0.11 0.02 0.00 -0.05 -0.01 -0.03 0.01 -0.08 0.20 -0.10 -0.07 -0.07 -0.26 0.28 -0.08 -0.02 0.11 0.04 0.08 -0.15 -0.01 0.13 0.00 -0.04 -0.09 -0.05 -0.10 -0.06 -0.01 -0.02 -0.05 0.11 0.03 -0.09 -0.08 -0.00 -0.00 0.12 -0.06 0.02 0.03 0.01 0.03 -0.07 0.03 0.01 -0.01 0.01 0.02 0.00 0.04 0.02 -0.05 0.00 -0.00 -0.00 0.04 0.22 -0.09 0.04 0.09 -0.11 -0.00 -0.00 0.04 -0.05 -0.01 0.02 0.01 0.21 0.02 0.01 -0.01 -0.01 -0.02 -0.02 -0.00 -0.02 -0.16 -0.07 -0.14 -0.08 -0.01 -0.14 -0.06 0.02 0.16 -0.11 0.17 -0.13 -0.11 0.17 -0.11 0.09 0.05 -0.06 0.02 0.03 0.02 0.03 0.03 0.04 0.03 -0.01 0.06 0.01 -0.03 0.01 0.02 0.00 0.02 0.02 0.00 0.09 0.03 -0.05 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.08 0.31 -0.12 0.04 0.05 -0.14 0.00 -0.01 0.12 -0.09 -0.03 0.05 -0.01 0.25 0.10 0.01 0.00 -0.00 -0.04 -0.00 0.02 -0.03 -0.04 -0.01 0.03 -0.03 -0.06 -0.00 -0.05 -0.06 -0.04 -0.04 -0.03 -0.01 -0.01 0.01 0.16 -0.00 0.03 -0.02 0.00 0.02 0.00 0.01 0.00 0.08 0.02 0.10 0.01 0.15 0.10 0.01 0.02 -0.03 0.03 -0.05 -0.01 0.04 -0.01 0.02 -0.15 -0.03 -0.01 -0.00 -0.06 -0.05 0.11 0.10 0.03 0.04 0.13 0.07 -0.04 -0.05 -0.08 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.02 0.01 -0.07 0.01 0.00 -0.04 0.02 0.02 -0.00 -0.00 -0.00 0.02 -0.05 -0.04 -0.10 -0.09 -0.01 0.13 0.03 0.09 0.07 0.29 0.12 -0.02 0.14 -0.07 -0.07 0.07 -0.03 0.07 0.05 -0.10 0.01 -0.25 -0.14 -0.25 0.00 0.01 -0.39 -0.06 -0.05 0.20 0.09 0.01 0.17 0.12 0.04 0.07 0.13 0.07 0.06 0.14 0.06 -0.07 -0.07 -0.10 -0.09 -0.02 0.02 -0.08 -0.02 0.02 -0.02 -0.02 0.02 -0.01 0.03 0.02 -0.10 0.06 0.05 -0.04 0.06 0.06 0.01 -0.01 -0.02 0.03 -0.02 -0.03 -0.17 -0.01 0.06 -0.14 -0.19 -0.05 0.03 0.05 -0.01 0.00 -0.03 -0.03 0.24 0.06 -0.04 -0.00 0.01 -0.01 0.09 -0.00 0.01 -0.01 -0.00 0.02 0.00 0.00 0.00 0.04 0.01 0.07 -0.02 0.11 0.08 0.01 0.02 -0.03 0.06 0.02 0.03 0.02 -0.00 0.00 -0.13 -0.01 0.01 -0.00 -0.03 -0.02 -0.09 -0.16 -0.07 -0.12 -0.16 -0.05 -0.02 -0.03 -0.04 -0.08 0.01 0.03 -0.01 -0.01 0.01 -0.00 0.01 0.01 -0.04 0.01 0.00 -0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.09 0.03 0.06 0.12 0.09 0.01 0.07 0.02 0.07 0.01 0.20 0.10 -0.04 0.10 -0.04 -0.06 0.08 -0.03 0.07 0.05 -0.08 -0.02 -0.14 -0.09 -0.20 0.01 0.03 -0.29 -0.03 -0.02 -0.14 -0.18 -0.05 -0.16 -0.18 -0.04 -0.19 -0.17 -0.04 -0.18 -0.18 -0.04 -0.05 -0.04 -0.05 -0.01 0.03 0.02 -0.01 0.03 0.00 -0.01 -0.02 0.01 -0.01 0.02 0.02 -0.06 0.04 0.03 -0.02 0.04 0.04 0.00 -0.01 -0.02 -0.13 -0.06 0.02 0.26 -0.04 -0.13 0.21 0.28 0.08 -0.08 0.09 0.03 -0.03 0.02 -0.05 -0.11 0.06 0.02 -0.00 -0.01 -0.03 0.20 -0.07 0.00 -0.04 0.01 -0.05 0.01 0.05 -0.02 0.02 -0.04 0.05 0.03 0.01 0.02 0.05 -0.21 0.05 -0.05 0.02 0.07 0.06 -0.02 -0.01 0.01 -0.02 -0.01 -0.00 0.04 -0.03 -0.10 0.02 0.04 0.02 -0.05 -0.03 0.02 0.02 -0.03 0.05 -0.02 -0.03 -0.02 0.03 -0.02 -0.02 0.04 -0.05 -0.01 -0.02 0.02 -0.05 -0.02 0.00 0.02 0.04 0.01 0.02 0.03 0.01 0.02 0.03 0.01 0.00 -0.05 0.05 0.06 0.03 0.02 0.03 0.01 -0.01 0.36 -0.50 0.02 -0.28 -0.40 0.25 0.04 -0.05 -0.02 0.00 -0.00 -0.00 -0.02 -0.02 -0.02 -0.12 -0.02 0.05 -0.16 0.01 0.08 0.05 -0.03 -0.04 0.06 -0.03 -0.03 0.06 0.03 -0.04 0.08 0.00 -0.04 0.08 -0.01 -0.04 -0.02 0.03 -0.03 -0.03 0.06 -0.05 0.00 -0.04 0.06 -0.08 -0.04 0.02 0.05 0.03 0.05 0.03 0.05 0.02 0.03 0.03 0.00 0.03 0.04 0.02 0.12 -0.05 -0.01 -0.00 0.02 -0.02 0.01 0.02 0.05 -0.00 0.08 -0.02 -0.09 0.07 -0.01 0.00 -0.01 -0.05 -0.00 -0.06 -0.01 0.02 0.10 -0.07 0.00 0.04 0.05 -0.02 -0.12 0.13 0.05 0.07 -0.04 -0.03 0.06 -0.01 -0.06 0.00 0.01 -0.00 0.03 -0.01 0.10 -0.04 -0.06 -0.04 0.03 0.03 0.03 0.02 -0.00 -0.07 0.02 0.04 0.01 -0.04 -0.04 -0.01 -0.06 -0.04 0.02 -0.01 0.02 -0.01 -0.01 0.01 0.02 -0.04 0.02 -0.05 -0.03 -0.00 -0.01 -0.02 -0.01 0.09 0.07 -0.08 -0.04 -0.04 0.03 0.04 0.05 0.12 0.31 -0.43 0.09 -0.28 -0.26 0.43 -0.01 -0.02 -0.09 -0.14 -0.04 0.01 -0.11 -0.00 0.04 0.10 0.01 -0.06 0.16 -0.03 -0.10 -0.08 0.01 0.03 -0.09 0.01 0.03 0.07 0.04 0.01 -0.09 -0.00 0.04 -0.10 0.01 0.05 0.01 -0.05 -0.04 -0.01 -0.10 -0.06 0.03 -0.03 0.04 -0.03 -0.03 0.01 0.03 -0.03 0.08 -0.06 -0.07 -0.01 0.01 -0.05 -0.03 0.00 0.00 -0.00 -0.13 -0.01 0.01 0.01 -0.03 -0.06 0.07 -0.09 -0.09 -0.03 0.33 0.00 -0.04 0.02 0.13 0.04 -0.01 -0.09 0.02 -0.11 0.04 0.00 -0.06 0.11 0.05 0.01 0.01 -0.04 0.08 0.14 -0.04 -0.13 0.01 -0.01 0.10 0.13 0.05 0.00 -0.02 0.00 -0.00 0.01 -0.10 0.04 0.05 0.02 -0.02 -0.02 0.01 -0.03 -0.06 0.06 -0.02 -0.03 -0.00 -0.03 -0.21 -0.01 -0.14 -0.16 -0.02 0.01 0.02 -0.02 0.01 0.02 0.04 -0.03 0.09 0.05 0.02 -0.00 0.00 0.01 0.01 0.01 -0.07 0.11 0.13 0.13 0.03 0.01 0.01 -0.10 -0.06 0.15 0.18 0.03 0.12 0.06 0.05 -0.01 -0.00 0.06 0.03 -0.01 0.05 -0.00 -0.05 -0.09 0.01 0.06 -0.12 0.03 0.07 0.07 0.01 -0.02 0.07 0.01 -0.02 0.00 -0.03 -0.07 0.08 -0.00 -0.04 0.08 -0.01 -0.04 -0.06 -0.03 -0.33 -0.05 -0.24 -0.31 -0.04 0.04 0.08 -0.03 0.03 0.05 0.06 0.02 0.26 0.06 0.06 0.01 -0.03 0.05 0.03 -0.02 -0.03 -0.01 0.05 0.03 -0.09 0.01 0.04 0.05 -0.03 0.08 -0.04 0.03 0.03 -0.10 -0.21 -0.13 -0.01 0.02 -0.00 -0.01 0.00 0.05 0.00 0.00 -0.17 0.24 0.01 0.03 -0.01 -0.03 -0.07 -0.03 0.07 -0.06 0.18 -0.06 -0.10 -0.04 0.00 0.03 -0.00 -0.00 0.01 -0.02 0.08 -0.03 -0.04 -0.01 0.02 0.02 0.02 0.03 0.07 -0.03 0.02 0.03 0.01 0.07 -0.03 0.03 0.03 -0.04 0.05 -0.01 0.00 0.04 -0.01 -0.01 0.00 0.08 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.01 -0.11 -0.06 0.27 0.16 0.46 0.08 -0.20 -0.00 -0.41 0.04 -0.05 0.03 -0.07 -0.09 -0.01 0.02 -0.04 0.05 0.04 0.11 0.02 -0.04 0.02 -0.07 0.15 -0.08 -0.05 0.06 -0.00 0.04 -0.05 -0.00 0.03 -0.05 -0.00 0.02 0.05 0.05 0.08 -0.06 0.02 0.03 -0.05 0.01 0.01 0.02 0.12 -0.07 0.02 0.03 -0.06 0.07 -0.04 -0.05 0.04 -0.05 -0.07 -0.00 0.09 0.02 -0.02 -0.03 -0.02 -0.01 -0.01 -0.02 -0.01 -0.03 -0.00 0.13 0.03 -0.04 -0.01 -0.02 -0.03 -0.06 0.12 0.06 -0.02 0.09 0.03 0.18 -0.07 0.07 0.01 0.00 0.00 0.01 -0.01 0.02 -0.08 -0.08 -0.03 -0.16 -0.17 -0.11 0.04 0.04 -0.01 0.05 0.09 0.09 0.08 0.01 0.09 -0.04 -0.01 0.03 0.00 0.00 0.02 0.12 -0.05 -0.07 -0.02 0.02 0.02 -0.01 -0.01 -0.04 -0.05 0.03 0.04 -0.04 -0.01 -0.09 -0.03 -0.02 -0.07 -0.03 0.01 -0.00 -0.02 0.00 0.00 0.02 0.00 0.04 -0.03 -0.02 -0.00 -0.01 -0.02 -0.01 -0.26 -0.15 -0.02 -0.22 -0.27 -0.13 -0.15 -0.16 0.03 -0.12 0.20 0.02 0.14 0.09 -0.23 -0.19 0.14 0.23 0.12 0.02 0.02 0.15 0.02 0.02 0.15 -0.04 -0.07 0.14 -0.03 -0.05 -0.07 -0.01 0.03 -0.08 -0.01 0.02 -0.02 -0.03 -0.06 -0.08 0.02 0.04 -0.08 0.02 0.04 -0.07 -0.01 -0.17 -0.06 -0.03 -0.15 -0.04 0.01 0.03 -0.03 0.02 0.02 0.05 0.01 0.10 -0.05 -0.06 -0.01 0.01 -0.04 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 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 -0.01 -0.02 0.00 -0.01 -0.01 0.02 -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 -0.01 0.06 -0.11 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 -0.02 -0.03 -0.01 0.04 -0.07 0.02 -0.06 -0.01 0.10 -0.00 0.00 0.00 0.01 -0.37 0.03 0.11 0.20 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.13 -0.17 0.26 0.16 -0.28 0.54 -0.15 0.13 -0.34 -0.03 -0.01 -0.01 0.00 -0.01 -0.01 0.05 0.03 -0.00 0.00 -0.01 -0.01 0.02 0.02 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.03 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.06 -0.10 -0.04 -0.11 -0.00 0.03 -0.00 -0.00 -0.01 0.02 0.15 0.09 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 -0.01 0.25 -0.00 -0.06 -0.03 -0.07 -0.04 -0.05 0.03 0.02 0.01 -0.03 -0.01 0.03 0.00 0.03 0.03 -0.03 -0.00 -0.02 -0.01 0.04 0.00 0.01 0.01 0.03 -0.00 -0.01 0.03 -0.00 0.00 -0.08 -0.11 -0.03 -0.08 -0.10 -0.02 -0.27 -0.03 0.05 -0.24 -0.06 0.04 -0.00 -0.00 -0.01 -0.04 0.20 0.09 -0.08 0.07 -0.01 0.01 -0.01 0.04 0.01 0.01 0.03 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.02 0.19 0.01 -0.18 -0.35 0.28 0.11 -0.19 -0.53 -0.12 0.00 0.00 0.01 -0.05 0.06 0.14 -0.01 -0.00 0.01 -0.00 0.00 0.02 -0.00 -0.01 -0.00 0.01 0.00 0.03 -0.00 -0.00 -0.00 0.01 0.00 -0.02 0.01 0.01 0.01 0.01 -0.01 -0.03 -0.00 0.02 -0.02 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.03 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.04 -0.06 -0.12 0.00 0.01 0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.08 0.10 0.21 0.07 -0.09 -0.20 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.01 -0.02 0.00 0.01 0.01 0.00 0.01 0.00 0.01 0.01 -0.01 0.00 -0.02 -0.05 0.01 -0.01 -0.02 -0.02 -0.00 0.00 -0.02 -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 0.12 -0.15 -0.32 0.00 0.00 0.00 -0.00 0.01 0.01 -0.03 -0.00 -0.06 -0.02 -0.01 -0.04 -0.11 0.14 0.28 0.24 -0.30 -0.65 0.01 0.00 0.03 0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.01 -0.04 0.06 -0.04 -0.09 0.03 0.01 -0.05 0.02 -0.01 -0.11 0.05 0.06 0.02 -0.07 -0.02 -0.14 0.01 0.01 0.01 -0.06 0.00 0.06 -0.04 -0.05 -0.05 -0.13 0.08 0.18 0.00 -0.06 0.09 0.01 -0.03 -0.08 0.01 -0.01 -0.00 -0.08 0.08 0.17 0.03 0.01 -0.01 0.02 0.01 0.00 0.08 -0.08 -0.15 -0.00 -0.02 -0.01 0.06 0.01 0.14 0.04 0.01 0.08 -0.00 0.04 0.10 0.03 -0.00 -0.01 -0.04 -0.00 -0.09 -0.03 -0.00 0.01 -0.00 0.01 0.00 -0.20 0.04 0.08 -0.02 -0.09 -0.06 -0.01 -0.05 0.01 -0.11 -0.05 0.08 -0.20 0.04 0.21 -0.07 0.06 0.11 0.10 0.01 -0.01 0.10 0.01 0.00 0.08 -0.01 -0.01 0.04 0.03 0.02 0.05 0.01 -0.00 0.04 0.02 0.00 0.16 -0.14 -0.29 0.00 -0.02 -0.01 0.01 -0.01 -0.00 0.16 0.03 0.36 0.10 0.04 0.23 -0.07 0.13 0.26 0.02 0.01 0.03 -0.09 -0.01 -0.18 -0.03 0.00 0.02 0.04 -0.04 -0.03 0.03 0.07 0.02 0.01 0.01 0.04 0.09 -0.01 -0.10 -0.03 -0.01 0.04 0.00 -0.07 -0.04 -0.01 -0.05 -0.03 0.09 -0.00 0.20 -0.01 0.04 -0.03 0.04 -0.02 -0.05 0.02 0.02 0.02 -0.21 0.00 -0.01 -0.00 0.06 -0.08 0.01 -0.06 -0.03 -0.01 0.00 0.00 -0.12 0.09 0.15 -0.02 -0.00 0.01 -0.01 -0.01 -0.00 0.09 -0.07 -0.05 -0.00 0.01 0.01 -0.09 -0.00 -0.11 -0.04 0.03 -0.06 0.09 0.02 0.05 0.07 0.03 0.05 0.04 0.02 0.09 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.17 -0.05 -0.07 0.00 0.08 0.04 -0.02 0.02 -0.04 -0.31 -0.01 -0.08 -0.24 -0.03 -0.12 0.04 -0.04 -0.07 -0.07 0.00 0.01 -0.06 -0.00 -0.01 -0.06 0.02 0.01 -0.03 -0.02 -0.02 -0.02 -0.01 -0.00 -0.03 -0.02 -0.00 0.23 -0.09 -0.16 0.00 0.01 0.01 -0.00 0.01 0.00 -0.22 -0.01 -0.40 -0.13 0.04 -0.25 0.03 0.09 0.13 -0.01 0.07 0.20 0.11 0.01 0.16 0.01 -0.00 -0.01 -0.02 0.02 0.01 -0.01 -0.03 -0.01 0.03 0.03 0.05 0.02 0.01 -0.02 -0.05 -0.01 0.05 -0.00 0.06 0.03 -0.01 -0.08 0.02 -0.02 -0.00 -0.07 0.11 0.01 0.23 0.07 -0.07 -0.05 0.01 0.00 0.03 -0.06 -0.04 -0.05 0.01 0.08 -0.11 -0.04 -0.00 0.05 -0.02 0.00 0.01 -0.03 0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.02 -0.00 0.02 -0.01 0.01 -0.00 0.01 0.01 0.08 0.02 0.10 -0.04 -0.04 -0.14 0.04 0.00 0.01 0.02 0.01 0.01 -0.10 -0.00 -0.20 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.23 -0.14 -0.08 -0.00 0.13 0.06 -0.07 -0.01 -0.11 -0.15 0.07 -0.02 -0.02 -0.02 -0.20 0.03 -0.03 -0.07 -0.10 0.03 0.02 -0.05 -0.00 -0.04 -0.08 0.02 0.02 -0.04 -0.03 -0.03 -0.04 -0.01 -0.00 -0.04 -0.03 -0.01 0.07 0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.17 0.05 0.27 -0.11 -0.07 -0.31 0.03 0.01 0.01 -0.00 -0.00 0.03 -0.26 -0.01 -0.50 0.01 -0.01 -0.01 -0.03 0.02 0.02 -0.02 -0.04 -0.02 -0.03 -0.04 -0.06 -0.01 -0.01 0.02 0.05 0.01 -0.06 0.00 -0.08 -0.02 0.00 0.09 -0.04 0.07 0.02 0.18 0.08 0.03 0.16 -0.08 0.10 0.04 -0.00 0.01 -0.02 0.04 0.01 0.04 -0.01 -0.09 0.13 0.05 0.01 -0.05 0.02 -0.00 -0.01 0.02 -0.01 -0.02 0.03 0.01 -0.01 0.02 0.02 0.01 -0.02 0.00 -0.00 0.01 -0.01 -0.01 -0.04 -0.03 0.01 -0.12 0.01 -0.17 -0.02 -0.00 -0.01 -0.01 -0.00 -0.01 -0.03 -0.02 -0.07 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.27 0.19 0.08 0.01 -0.18 -0.07 0.11 0.03 0.18 0.17 -0.14 -0.01 -0.06 -0.03 0.19 -0.02 0.01 0.06 0.12 -0.05 -0.03 0.03 -0.00 0.06 0.08 -0.03 -0.02 0.04 0.03 0.03 0.04 0.01 0.00 0.04 0.03 0.01 -0.04 0.01 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.15 -0.07 -0.20 -0.25 -0.01 -0.46 -0.02 -0.01 -0.01 0.01 -0.00 -0.03 -0.11 -0.07 -0.31 -0.01 0.01 0.01 0.02 -0.02 -0.02 0.02 0.04 0.02 0.02 -0.01 0.05 -0.05 -0.05 0.01 -0.01 -0.03 0.06 0.03 -0.04 -0.21 -0.04 -0.02 0.09 0.02 -0.05 0.06 0.01 0.07 0.01 0.03 -0.06 0.00 -0.01 -0.03 0.01 0.19 0.15 0.26 -0.03 0.11 -0.19 0.03 -0.19 -0.06 -0.00 -0.00 -0.00 0.10 -0.01 0.03 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.04 0.04 -0.05 -0.00 0.00 0.00 -0.05 0.03 0.02 -0.01 0.04 -0.05 -0.10 -0.00 -0.03 -0.09 -0.02 -0.03 0.00 0.05 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.25 -0.22 -0.06 -0.01 0.16 0.06 -0.07 -0.05 -0.18 0.24 0.16 0.30 0.26 0.19 0.23 -0.01 0.03 -0.02 -0.06 0.06 0.02 0.06 0.00 -0.08 -0.05 0.05 0.01 -0.00 -0.03 -0.05 -0.02 0.02 -0.00 -0.02 -0.02 -0.03 -0.18 0.02 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.09 0.07 -0.15 -0.02 0.09 -0.05 -0.08 -0.04 0.04 -0.04 0.03 -0.03 0.01 0.02 -0.08 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.02 -0.00 0.02 -0.00 0.00 -0.00 0.01 0.00 0.03 -0.02 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.09 -0.02 -0.04 0.01 -0.01 0.01 -0.05 0.02 -0.00 0.00 0.00 0.00 -0.00 0.04 0.09 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.02 -0.01 -0.03 0.02 -0.06 -0.13 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.02 0.01 -0.00 0.00 -0.01 0.07 -0.00 -0.04 0.09 -0.02 -0.03 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.02 -0.00 -0.00 0.01 0.02 -0.03 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 0.01 -0.02 -0.01 -0.19 0.21 0.50 -0.25 0.32 0.66 -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 -0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.00 0.04 0.01 0.01 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -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 -0.06 -0.01 -0.11 0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 0.01 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.36 0.08 0.76 -0.09 -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.02 0.43 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.07 -0.08 -0.01 -0.00 -0.01 0.05 -0.00 0.05 -0.02 -0.01 -0.03 0.02 0.01 0.03 -0.01 -0.01 0.01 0.01 -0.00 -0.02 0.01 0.01 0.01 0.19 -0.04 -0.07 0.02 -0.02 0.03 -0.21 0.03 -0.03 -0.00 0.00 0.00 -0.01 0.09 0.21 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.04 -0.00 0.00 0.00 0.03 0.01 -0.02 0.02 -0.02 -0.01 -0.07 0.02 0.02 -0.09 0.03 0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.04 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.14 0.00 -0.07 0.19 -0.04 -0.06 0.02 -0.01 -0.02 -0.03 -0.00 0.01 -0.02 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.10 -0.22 -0.53 -0.00 0.00 0.00 0.00 0.00 -0.00 0.05 0.02 -0.01 0.02 -0.06 -0.04 0.11 -0.23 -0.38 0.10 -0.15 -0.38 -0.02 0.02 0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -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 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.02 -0.02 0.03 -0.06 -0.00 0.00 0.00 -0.02 0.02 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.02 0.04 -0.00 0.00 -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 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.05 -0.29 0.02 0.12 0.15 0.22 0.22 -0.48 -0.03 -0.06 0.22 0.48 -0.01 0.01 0.01 0.23 -0.22 -0.04 -0.14 0.08 0.28 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.02 -0.04 -0.06 0.10 -0.16 0.03 -0.05 0.08 -0.02 -0.04 -0.00 0.01 -0.03 -0.04 0.03 0.01 0.02 -0.11 0.01 0.02 -0.16 0.03 -0.04 -0.04 0.02 -0.06 0.01 -0.00 0.00 -0.04 -0.01 0.04 0.01 -0.05 0.05 0.10 -0.05 -0.10 -0.05 0.04 -0.04 0.42 0.05 0.06 0.02 -0.02 -0.00 -0.02 0.06 0.13 0.02 -0.01 -0.01 0.00 0.02 -0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.01 -0.05 -0.04 0.03 -0.08 0.03 0.02 -0.03 0.01 0.01 -0.03 0.00 0.01 0.01 -0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.09 0.06 0.04 -0.00 0.34 0.14 0.01 -0.06 -0.35 0.09 -0.06 -0.11 0.08 -0.06 -0.02 -0.01 0.09 -0.05 -0.14 0.16 0.07 0.17 -0.00 -0.21 0.02 -0.04 -0.01 0.06 0.02 0.01 0.05 -0.06 -0.00 0.00 0.04 0.07 0.10 -0.15 -0.35 0.04 -0.04 -0.01 -0.02 0.01 0.04 -0.06 -0.10 0.09 -0.05 0.07 0.11 0.04 -0.08 -0.12 -0.01 0.00 -0.02 0.03 -0.07 -0.05 -0.00 0.01 -0.00 -0.00 0.00 -0.03 0.01 0.01 0.02 0.02 0.06 0.01 -0.00 0.00 -0.01 -0.04 -0.02 -0.03 -0.03 0.02 -0.02 -0.09 -0.05 0.02 -0.02 -0.02 -0.02 0.01 0.02 -0.00 0.03 -0.02 -0.07 0.02 0.10 -0.03 0.03 -0.01 0.02 0.07 -0.05 0.04 0.11 -0.05 0.04 -0.01 0.04 0.00 0.00 0.01 0.03 -0.02 0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.02 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.09 -0.07 -0.06 0.08 -0.41 -0.17 -0.05 0.11 0.51 -0.05 0.09 0.05 0.10 0.03 -0.08 0.11 -0.19 -0.01 0.17 -0.25 -0.10 -0.35 0.00 0.33 -0.04 0.00 0.01 -0.05 -0.00 0.02 -0.04 -0.01 -0.00 -0.02 -0.03 -0.02 0.02 -0.02 -0.07 -0.01 0.02 0.01 0.00 0.00 -0.01 -0.01 0.02 0.02 0.02 0.04 0.05 0.01 -0.02 -0.01 -0.02 -0.00 0.00 0.01 -0.00 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.02 -0.01 0.08 0.16 0.02 -0.01 -0.02 0.02 -0.13 -0.07 -0.07 -0.02 -0.04 0.02 -0.03 0.10 -0.06 0.01 0.04 0.03 -0.00 -0.02 0.01 0.16 -0.05 -0.12 -0.03 -0.11 -0.01 -0.01 0.09 0.07 0.22 -0.15 0.11 0.05 0.09 -0.04 -0.07 -0.01 0.05 0.02 -0.01 -0.02 -0.07 0.03 0.04 -0.03 -0.06 -0.02 0.00 -0.00 -0.02 -0.02 0.02 0.02 -0.00 -0.03 -0.01 -0.03 0.00 0.02 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.03 -0.00 0.02 0.01 -0.01 0.01 0.00 -0.00 0.10 0.07 -0.08 -0.20 0.25 0.10 -0.11 -0.12 -0.40 0.09 -0.05 0.02 -0.05 0.07 0.20 -0.11 0.12 -0.02 -0.27 0.19 0.13 0.11 0.01 -0.20 -0.13 0.00 0.05 -0.17 0.01 0.07 -0.09 -0.04 -0.01 -0.05 -0.07 -0.03 -0.08 0.06 0.13 -0.03 0.04 0.02 0.00 0.01 -0.01 -0.02 -0.08 0.03 -0.06 -0.03 -0.06 -0.02 0.02 0.04 0.03 -0.00 -0.05 0.01 -0.03 0.02 0.01 -0.03 -0.02 -0.03 0.04 0.06 -0.03 -0.06 -0.04 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.02 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.04 -0.02 -0.02 -0.01 0.00 0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.03 0.06 0.01 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.03 -0.10 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.05 0.01 -0.02 -0.05 -0.04 0.03 0.06 0.01 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.03 0.04 -0.02 -0.06 0.02 -0.02 -0.02 -0.01 -0.01 -0.00 -0.02 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.23 0.28 0.58 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.14 -0.04 -0.32 -0.12 0.15 0.37 0.12 -0.16 -0.36 -0.06 -0.01 -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 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.02 0.00 0.03 0.01 0.00 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 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.02 -0.04 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.06 -0.01 -0.13 0.01 -0.01 -0.02 -0.01 0.01 0.02 -0.02 -0.01 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.02 0.00 -0.02 0.03 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.09 0.11 0.24 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.34 0.09 0.77 -0.05 0.07 0.15 0.04 -0.07 -0.15 0.14 0.02 0.30 0.00 0.00 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 -0.02 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.01 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 0.04 0.00 0.09 0.02 0.01 0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 -0.02 -0.13 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 0.03 -0.01 -0.01 -0.02 -0.00 0.02 0.02 -0.01 -0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.03 0.04 -0.02 -0.01 -0.01 0.00 0.03 -0.00 0.02 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.21 -0.05 -0.43 -0.12 -0.04 -0.28 -0.00 0.00 0.01 0.01 0.01 -0.01 0.34 0.05 0.71 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.02 0.02 0.01 0.01 -0.07 0.03 -0.01 -0.03 0.00 -0.00 -0.01 0.01 0.00 0.04 -0.02 0.00 0.02 0.00 -0.00 -0.01 0.00 0.03 -0.05 0.12 -0.02 -0.02 -0.05 -0.01 0.06 -0.07 0.01 0.02 -0.08 0.00 0.03 -0.01 -0.05 0.02 -0.03 -0.01 0.03 -0.01 0.01 -0.02 0.05 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.04 -0.05 0.01 -0.01 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.02 0.02 0.01 0.02 0.01 -0.01 0.02 0.01 -0.02 0.03 0.00 -0.01 0.01 0.13 -0.03 0.11 0.25 -0.10 -0.11 -0.15 -0.03 0.08 0.24 -0.14 -0.08 -0.24 -0.06 0.16 -0.14 -0.00 0.24 0.29 -0.12 -0.10 -0.06 0.02 0.21 0.01 0.27 0.02 -0.11 -0.16 -0.19 0.15 0.10 -0.03 -0.18 -0.10 -0.02 0.01 0.01 -0.03 0.12 -0.16 -0.04 -0.07 0.09 0.18 0.03 -0.03 0.06 0.01 -0.01 0.05 -0.05 0.04 0.07 0.12 0.06 -0.04 -0.05 -0.01 -0.08 -0.01 0.00 -0.02 -0.06 0.09 -0.14 0.00 -0.02 0.01 -0.02 0.02 -0.02 -0.00 0.04 -0.02 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.02 0.03 -0.05 0.01 0.01 0.03 0.01 -0.04 0.04 -0.00 -0.02 0.04 -0.00 -0.01 0.00 0.03 -0.01 0.01 0.00 -0.02 0.01 0.04 -0.04 0.06 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.02 0.05 -0.08 -0.00 0.00 0.01 0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.03 0.04 0.00 -0.01 0.01 -0.09 0.02 -0.05 -0.13 0.05 0.05 0.08 0.02 -0.03 -0.13 0.08 0.04 0.14 0.03 -0.08 0.07 0.00 -0.13 -0.14 0.06 0.05 0.04 -0.01 -0.11 0.07 0.40 -0.00 -0.15 -0.25 -0.29 0.24 0.19 -0.03 -0.27 -0.14 -0.04 -0.01 -0.00 0.03 0.18 -0.25 -0.06 -0.09 0.14 0.27 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.03 -0.02 -0.05 -0.08 -0.04 0.03 0.01 0.00 0.02 -0.01 0.02 -0.02 -0.08 0.12 -0.24 0.01 0.00 0.02 -0.00 0.00 -0.00 0.05 0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 0.07 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.04 -0.12 -0.10 0.04 -0.03 0.10 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.02 -0.05 0.01 0.01 0.03 0.01 -0.01 -0.02 0.03 0.03 0.01 0.01 -0.02 0.01 0.01 -0.03 -0.05 0.02 0.02 0.02 -0.00 -0.04 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.25 -0.15 -0.49 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.34 0.27 0.55 0.16 -0.20 -0.23 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.14 -0.08 -0.01 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 0.01 -0.09 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.07 -0.07 0.15 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.23 0.13 -0.09 -0.15 0.16 -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 0.02 -0.03 0.00 -0.00 -0.00 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.40 -0.35 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.02 0.12 0.28 0.54 -0.10 0.00 -0.34 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.06 0.14 0.12 -0.01 -0.03 0.01 -0.02 -0.08 -0.04 0.00 0.00 0.00 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.02 0.01 0.00 0.03 0.05 -0.01 0.02 -0.01 -0.05 -0.04 -0.04 -0.00 0.00 0.00 0.06 -0.01 -0.02 -0.00 0.00 -0.01 0.14 -0.05 -0.09 0.12 -0.04 -0.07 0.00 -0.00 0.00 0.07 0.27 0.14 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 0.00 -0.15 -0.08 0.00 -0.06 -0.14 -0.06 -0.07 -0.02 0.01 -0.03 0.04 0.05 0.03 0.03 0.03 0.07 -0.04 -0.02 -0.08 -0.02 0.05 0.11 -0.04 -0.11 -0.03 -0.00 -0.01 0.03 -0.02 -0.06 -0.04 -0.12 -0.05 0.03 -0.04 0.02 -0.03 -0.11 -0.05 0.04 -0.06 -0.02 -0.01 -0.01 -0.00 0.22 0.32 0.12 0.23 0.29 0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.03 0.04 -0.01 -0.00 -0.00 -0.00 -0.22 -0.24 -0.05 0.14 -0.36 -0.23 0.05 0.05 0.02 0.02 0.02 0.02 -0.01 0.22 -0.10 -0.01 -0.04 -0.01 0.00 -0.02 -0.01 -0.01 0.05 -0.01 0.02 0.04 0.01 -0.02 0.01 0.01 0.03 0.01 0.11 -0.01 -0.03 -0.04 0.05 -0.11 0.06 0.01 0.01 -0.07 0.00 0.06 -0.05 -0.07 0.00 -0.02 -0.01 -0.09 0.04 -0.01 0.01 0.00 0.01 -0.02 -0.02 -0.02 -0.10 0.03 0.00 0.03 0.02 0.03 -0.02 -0.02 -0.02 0.02 0.01 0.02 -0.01 0.02 -0.01 -0.02 0.01 -0.01 -0.04 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.13 0.08 0.11 0.25 -0.03 -0.08 -0.05 -0.04 -0.01 -0.28 0.10 0.01 0.40 0.10 -0.06 -0.23 0.08 0.30 0.27 -0.04 -0.08 0.04 0.02 0.14 -0.04 -0.02 0.01 -0.01 0.02 0.02 -0.02 -0.04 -0.01 0.01 -0.01 0.00 -0.07 -0.13 0.03 0.02 0.05 0.02 0.03 0.03 -0.01 0.03 -0.05 0.00 -0.02 -0.04 -0.01 -0.05 0.10 -0.05 -0.29 -0.30 0.02 -0.01 -0.05 -0.01 -0.03 -0.04 -0.01 0.01 -0.03 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.04 0.02 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.13 -0.00 -0.09 -0.26 0.34 0.09 -0.01 -0.02 -0.02 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.02 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.01 -0.00 -0.01 -0.01 0.15 -0.20 -0.05 0.11 0.15 -0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.17 -0.28 0.12 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.03 -0.02 -0.04 0.00 0.02 -0.02 0.01 0.01 0.03 -0.01 0.01 -0.05 -0.02 -0.00 0.06 -0.03 -0.07 -0.05 -0.01 0.01 -0.03 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.03 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.28 0.10 -0.15 0.25 -0.24 -0.06 0.02 -0.03 0.02 0.05 0.05 -0.00 0.07 -0.52 -0.08 0.01 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.00 0.00 -0.00 0.02 -0.02 0.04 -0.05 0.08 -0.13 -0.01 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 0.07 0.00 -0.02 -0.05 -0.05 0.05 0.01 -0.01 -0.05 -0.01 0.01 -0.00 0.00 0.00 0.05 -0.02 -0.01 -0.05 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.02 0.03 0.19 -0.30 0.50 0.24 -0.37 0.61 0.04 0.15 0.09 -0.00 0.01 -0.01 -0.03 -0.13 -0.06 0.00 0.03 -0.01 0.01 0.00 0.05 -0.01 -0.07 -0.01 0.00 0.03 -0.01 -0.12 0.13 0.07 -0.01 0.04 0.02 0.01 -0.02 -0.08 0.02 -0.05 -0.09 -0.01 -0.09 0.05 0.01 -0.05 -0.02 -0.02 0.01 0.01 0.13 0.02 -0.04 -0.03 -0.06 -0.03 -0.00 -0.04 0.00 -0.12 -0.11 -0.01 -0.05 0.01 0.03 0.06 -0.01 -0.03 0.01 0.00 0.00 0.02 0.00 0.01 -0.02 0.03 0.00 0.05 0.04 -0.00 0.06 0.08 0.03 -0.20 0.11 0.07 -0.07 0.01 0.02 0.32 0.07 0.01 0.10 -0.06 -0.06 -0.10 -0.08 -0.01 -0.12 0.15 0.07 0.03 0.12 0.03 0.28 -0.02 -0.16 0.05 0.01 -0.02 0.11 0.03 0.01 -0.08 -0.12 -0.02 -0.06 -0.07 -0.02 -0.02 -0.01 0.06 -0.22 -0.11 0.00 -0.21 -0.14 -0.01 -0.02 0.10 -0.01 0.06 0.02 -0.03 -0.03 0.05 -0.05 -0.01 -0.02 0.00 0.05 -0.02 -0.01 0.03 -0.03 -0.04 -0.16 0.31 0.24 -0.09 -0.17 -0.10 0.04 -0.05 -0.05 0.01 -0.05 0.03 0.00 -0.01 -0.01 -0.00 0.03 -0.01 -0.02 -0.03 0.05 -0.01 -0.08 -0.01 0.00 0.04 -0.01 0.06 0.17 0.01 0.04 -0.02 -0.07 -0.01 -0.07 -0.04 0.05 -0.01 0.00 -0.00 -0.09 0.05 -0.12 -0.03 0.03 -0.00 0.02 -0.00 -0.12 0.03 0.06 0.02 -0.01 -0.01 0.01 0.05 -0.02 0.06 0.09 0.03 -0.05 0.01 0.03 0.07 -0.01 -0.03 0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.02 0.03 0.00 -0.04 -0.02 0.00 -0.03 -0.05 -0.02 0.04 0.16 0.01 0.07 -0.04 -0.08 0.37 0.01 -0.10 -0.09 0.03 -0.01 0.01 -0.06 -0.15 -0.39 0.27 0.33 0.06 0.16 0.06 0.24 0.02 -0.04 -0.10 0.01 0.05 -0.12 0.01 0.03 0.04 0.03 -0.01 0.04 0.01 0.00 0.05 0.08 0.01 0.15 0.10 0.02 0.14 0.11 0.01 -0.02 0.11 -0.01 0.07 0.02 -0.02 0.07 -0.09 0.06 0.07 0.09 -0.02 0.06 -0.02 -0.01 -0.05 -0.04 -0.00 0.07 -0.15 -0.12 0.03 0.05 0.03 -0.01 0.04 0.03 0.03 -0.09 0.06 -0.00 -0.02 -0.01 0.00 -0.03 -0.01 0.01 -0.01 -0.03 0.01 0.05 0.01 -0.00 -0.03 0.00 -0.02 0.01 0.03 0.00 -0.00 0.01 -0.06 -0.13 0.10 -0.02 -0.00 -0.02 0.01 0.06 -0.04 -0.01 -0.00 -0.02 0.04 0.01 -0.03 0.06 -0.00 -0.02 -0.00 -0.01 -0.01 0.02 0.17 -0.06 -0.03 -0.03 -0.00 0.04 -0.01 -0.02 -0.06 0.01 0.03 0.00 -0.00 -0.00 -0.08 0.01 -0.03 0.01 -0.02 -0.00 0.01 0.01 0.00 0.02 0.02 0.01 0.03 0.08 0.04 0.11 0.02 -0.00 0.00 -0.00 -0.01 -0.48 0.18 0.08 0.29 0.07 -0.22 -0.07 0.02 0.09 0.10 -0.01 -0.03 0.03 0.00 0.04 0.03 -0.00 -0.02 0.05 0.00 -0.01 -0.02 -0.03 -0.00 -0.01 -0.02 -0.01 0.10 0.18 -0.12 -0.06 -0.03 0.00 -0.06 -0.04 0.00 0.02 -0.07 0.00 -0.05 0.00 0.04 0.25 -0.36 0.28 0.11 0.19 -0.06 -0.05 0.02 0.02 0.00 -0.01 -0.01 -0.04 0.08 0.07 -0.02 -0.05 -0.02 0.23 -0.05 -0.08 0.01 -0.00 0.00 -0.01 -0.04 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 0.00 0.02 0.00 -0.00 -0.01 0.00 -0.13 0.01 0.10 -0.14 0.04 0.07 -0.01 -0.03 -0.01 0.06 0.01 -0.08 -0.00 0.01 -0.01 0.16 -0.03 -0.06 -0.00 -0.00 -0.00 -0.21 0.10 0.13 0.04 -0.06 -0.05 -0.00 0.02 -0.01 -0.03 0.06 0.05 0.04 -0.00 -0.02 -0.04 0.01 0.02 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.03 -0.01 0.01 0.03 -0.01 -0.01 -0.28 0.02 0.12 -0.30 0.01 0.09 -0.22 0.03 0.14 -0.05 0.01 -0.01 0.03 -0.01 -0.02 0.30 -0.14 -0.28 -0.01 -0.07 -0.05 0.03 -0.05 -0.13 -0.13 0.06 0.11 -0.13 0.08 0.04 0.12 0.00 -0.07 0.14 -0.00 -0.03 -0.02 0.01 -0.01 0.09 0.10 0.03 0.08 0.09 0.01 0.03 -0.02 -0.01 -0.04 0.02 0.01 0.05 -0.07 0.05 0.01 0.02 -0.01 -0.04 0.02 0.01 -0.11 -0.19 -0.08 -0.08 0.09 0.09 -0.06 -0.16 -0.08 -0.05 -0.05 -0.02 -0.02 -0.01 -0.00 0.01 0.04 0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.04 -0.01 -0.04 0.05 -0.01 -0.03 0.01 0.01 0.01 -0.04 0.00 0.03 0.00 0.00 -0.00 -0.04 0.02 0.03 -0.00 0.00 -0.00 0.02 0.03 0.01 0.12 -0.06 -0.08 0.02 -0.01 0.01 -0.11 0.04 0.06 0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.01 0.02 0.08 0.04 -0.01 0.06 -0.02 -0.04 0.08 -0.01 -0.03 0.05 -0.01 -0.04 0.02 0.02 0.03 -0.00 0.00 -0.01 -0.05 0.02 0.04 -0.04 0.02 0.03 -0.05 0.02 0.04 0.03 0.03 0.01 0.01 0.02 0.00 0.24 -0.01 -0.09 0.23 -0.02 -0.10 0.10 0.02 0.03 -0.03 0.05 0.05 -0.04 0.07 0.06 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.09 0.12 -0.09 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.22 -0.39 -0.15 -0.24 0.36 0.31 -0.13 -0.39 -0.17 0.02 0.01 0.00 -0.07 -0.05 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.01 -0.03 0.01 -0.00 0.03 -0.00 -0.01 -0.02 0.01 -0.02 0.02 0.01 0.01 0.01 -0.00 0.02 -0.03 0.03 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.02 0.02 -0.01 -0.01 -0.00 0.00 -0.02 0.01 0.01 0.09 -0.03 0.04 0.02 -0.01 -0.01 0.08 0.00 -0.04 -0.07 0.02 0.03 -0.06 0.03 -0.03 0.04 0.02 0.01 0.01 -0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.07 0.00 0.01 0.00 -0.01 -0.01 0.11 0.02 0.02 -0.04 0.08 0.08 0.08 -0.00 -0.09 -0.04 0.04 0.03 -0.01 0.04 0.02 0.05 -0.00 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.00 0.02 -0.04 0.00 0.02 0.57 0.18 0.15 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.07 -0.02 -0.03 -0.09 0.06 0.03 -0.36 0.45 -0.35 0.06 0.04 0.00 -0.09 0.05 0.04 0.04 0.07 0.03 0.04 -0.06 -0.05 0.02 0.07 0.03 0.01 0.00 -0.00 0.02 0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.03 -0.01 -0.06 0.04 -0.02 0.05 0.00 -0.01 -0.04 0.01 -0.03 0.01 -0.01 0.08 0.03 -0.04 0.00 0.05 -0.03 0.01 0.00 -0.01 0.01 -0.03 0.01 -0.05 -0.01 0.06 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.07 -0.01 -0.02 0.01 -0.00 -0.00 0.19 0.01 -0.09 -0.15 0.06 0.07 0.05 -0.01 0.02 0.02 -0.01 0.01 0.02 -0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.19 -0.13 -0.02 0.00 -0.08 -0.06 0.35 0.06 0.03 0.20 -0.00 0.05 -0.17 -0.05 0.00 -0.09 0.11 0.02 -0.16 0.12 0.11 0.06 0.01 -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.45 -0.16 -0.08 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.20 0.02 -0.11 -0.21 0.19 0.06 0.17 -0.18 0.14 -0.02 -0.05 0.02 -0.22 0.14 0.09 0.01 0.02 -0.00 0.01 -0.02 -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 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 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 -0.02 0.04 -0.06 0.01 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.01 0.01 0.03 0.03 -0.05 0.02 0.01 0.04 -0.01 -0.04 -0.00 -0.00 -0.00 -0.10 -0.06 0.00 0.10 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 0.24 -0.38 0.64 -0.13 0.20 -0.33 0.13 -0.21 0.35 0.05 0.00 -0.00 0.03 0.01 0.01 -0.00 -0.02 0.00 0.00 -0.01 0.01 0.02 0.02 -0.02 0.01 0.04 -0.00 -0.03 0.02 0.01 -0.10 -0.09 0.05 0.16 -0.02 -0.10 -0.00 0.00 0.01 -0.00 0.03 -0.06 -0.00 0.04 -0.03 -0.05 0.05 0.13 -0.00 -0.01 -0.00 -0.02 0.02 0.02 -0.02 -0.01 -0.00 0.02 -0.01 0.01 0.01 0.00 0.00 -0.06 -0.02 0.03 0.05 -0.04 -0.02 -0.02 -0.00 -0.01 -0.04 0.01 -0.02 0.03 0.04 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.43 -0.16 0.07 0.14 -0.09 -0.11 0.29 -0.00 -0.03 -0.04 -0.02 -0.03 0.04 0.03 0.06 0.09 -0.02 -0.14 -0.38 0.08 0.18 -0.21 0.03 0.00 -0.00 0.02 0.02 0.01 0.02 0.00 -0.03 -0.02 -0.00 -0.03 -0.01 0.01 0.13 0.03 0.03 0.03 0.01 -0.00 0.02 0.00 -0.01 -0.19 -0.33 0.13 0.13 -0.25 -0.02 -0.01 -0.03 0.02 -0.01 0.04 -0.03 0.10 -0.01 -0.05 0.01 0.01 0.01 0.01 -0.02 -0.02 0.00 0.01 0.00 0.01 0.00 -0.00 -0.27 -0.09 -0.06 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.03 -0.00 -0.03 0.02 0.01 -0.02 -0.01 0.01 0.02 -0.00 -0.00 -0.01 -0.06 0.04 -0.00 0.00 -0.01 0.00 0.03 -0.03 -0.01 0.01 0.01 0.06 0.02 0.02 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.09 0.13 -0.10 0.00 0.00 -0.00 -0.04 -0.02 0.02 0.04 -0.03 -0.02 0.13 0.05 0.03 0.32 -0.03 0.13 0.03 0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.05 0.02 0.02 0.05 0.01 -0.00 0.03 -0.00 -0.01 -0.14 0.07 0.06 0.10 -0.00 -0.11 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.02 0.00 0.01 0.01 0.01 0.00 0.01 0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.55 -0.05 -0.19 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.15 -0.26 0.10 0.09 -0.18 -0.01 0.02 0.24 -0.11 0.13 -0.23 0.16 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.03 0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.10 -0.16 -0.05 0.19 0.13 0.00 -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 0.01 -0.00 0.05 0.01 -0.02 -0.04 0.01 0.02 -0.02 -0.01 0.00 0.01 -0.01 -0.00 0.05 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 0.01 0.00 0.02 0.00 0.03 -0.00 -0.01 -0.25 -0.23 -0.02 -0.26 -0.22 -0.06 0.27 0.15 -0.01 0.28 0.16 -0.01 -0.00 -0.00 -0.00 -0.40 -0.08 0.09 -0.40 -0.10 0.10 -0.03 -0.08 0.02 0.02 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.12 0.15 0.05 0.05 -0.07 -0.06 0.05 0.18 0.09 0.01 0.01 0.00 -0.03 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.05 -0.01 0.01 -0.06 0.00 0.09 -0.04 -0.04 -0.03 -0.02 0.02 0.05 -0.04 -0.04 -0.01 -0.02 0.00 -0.01 0.01 -0.02 -0.01 0.03 -0.01 -0.01 0.04 0.05 0.01 -0.01 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.02 -0.01 -0.01 0.00 0.00 -0.04 0.05 0.02 -0.01 0.03 -0.00 0.01 0.01 -0.00 0.03 -0.00 0.01 -0.08 -0.08 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.12 -0.00 0.04 0.06 -0.00 -0.03 -0.03 -0.05 -0.06 -0.08 -0.02 -0.05 0.06 0.02 0.02 0.11 -0.07 -0.10 -0.15 -0.02 0.05 -0.18 0.02 0.05 -0.02 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 0.00 0.01 0.03 -0.01 -0.03 -0.00 0.01 -0.03 -0.01 0.01 0.24 0.75 -0.19 -0.09 0.29 0.00 -0.00 0.02 -0.01 0.01 -0.02 0.01 0.08 -0.21 -0.02 0.02 0.02 0.01 0.01 -0.01 -0.01 0.01 0.02 0.01 -0.00 0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 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 0.03 -0.06 0.09 -0.04 0.07 -0.10 -0.00 -0.00 0.00 0.05 -0.07 0.11 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.05 -0.09 0.01 -0.01 0.01 0.01 0.01 -0.00 0.02 0.01 0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.02 0.02 -0.00 -0.01 0.01 0.00 0.01 -0.10 0.29 0.07 0.05 -0.20 -0.26 0.27 -0.21 -0.10 -0.21 0.13 0.28 -0.01 -0.00 -0.00 0.25 0.40 0.03 -0.26 -0.30 -0.19 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.05 -0.12 0.16 0.01 -0.01 0.06 -0.02 -0.01 -0.04 -0.06 -0.00 0.02 -0.02 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.00 -0.04 -0.01 0.12 0.12 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.11 0.08 0.08 -0.05 -0.08 -0.11 -0.00 -0.08 -0.08 0.02 0.01 -0.01 -0.00 -0.07 0.02 0.04 0.04 0.06 -0.00 -0.01 0.01 0.03 -0.02 -0.01 0.01 0.01 -0.01 0.00 0.02 -0.01 -0.00 -0.01 0.01 0.05 -0.04 -0.02 0.01 0.02 -0.01 0.00 -0.00 0.00 0.02 0.01 0.00 -0.04 0.03 0.02 -0.00 0.00 -0.01 0.00 0.00 0.00 0.04 -0.04 0.05 -0.31 -0.12 -0.08 -0.23 -0.10 -0.03 -0.11 -0.05 -0.13 0.07 -0.02 0.01 0.23 -0.12 -0.24 -0.28 -0.05 0.07 -0.25 0.00 -0.03 -0.02 0.01 -0.00 -0.03 -0.03 -0.01 0.03 -0.02 -0.01 -0.01 0.01 0.01 0.10 0.06 0.02 -0.00 0.02 0.01 -0.04 -0.03 -0.01 -0.06 -0.32 0.06 -0.03 0.13 -0.01 0.03 -0.04 0.03 0.04 0.03 -0.01 -0.35 0.28 0.15 0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.03 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.04 0.06 -0.01 -0.00 0.01 -0.11 0.01 0.05 0.06 0.01 0.03 -0.03 0.00 -0.04 0.00 -0.03 -0.04 0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.01 0.02 -0.01 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.07 -0.00 -0.09 -0.04 0.05 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.17 0.00 -0.08 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.11 0.01 -0.18 -0.10 -0.04 -0.03 0.01 0.06 -0.03 0.00 -0.03 0.03 -0.00 0.02 0.04 0.01 -0.07 -0.10 0.03 0.04 0.01 -0.01 -0.07 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.01 0.01 0.05 0.02 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.10 0.31 -0.07 -0.04 -0.26 0.05 0.02 -0.04 0.03 0.04 0.04 -0.01 0.65 -0.36 -0.29 -0.01 -0.02 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.03 -0.01 0.00 -0.02 0.00 -0.01 -0.01 0.02 0.02 0.00 -0.01 -0.01 -0.02 0.07 0.03 0.02 0.02 -0.00 0.05 -0.01 -0.02 0.05 -0.14 0.03 -0.04 0.15 -0.01 -0.01 -0.02 -0.03 0.04 0.02 -0.01 -0.00 0.04 -0.03 -0.00 -0.11 -0.01 0.01 -0.02 0.01 -0.01 -0.04 -0.02 -0.01 0.05 0.03 0.00 0.02 -0.01 0.03 -0.02 -0.02 -0.04 -0.01 0.02 0.02 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.06 -0.02 0.03 -0.04 -0.01 0.01 0.03 0.01 -0.01 -0.07 -0.38 -0.01 -0.20 -0.22 -0.07 0.22 0.18 0.30 -0.08 -0.05 -0.10 0.09 0.05 0.09 -0.17 0.21 0.03 -0.02 0.20 0.08 0.38 -0.06 -0.26 -0.03 -0.04 -0.02 -0.05 -0.04 0.00 0.01 0.06 0.03 0.01 0.05 0.02 0.09 0.05 0.01 0.10 0.01 -0.03 0.11 0.01 -0.02 -0.02 0.04 0.01 0.02 0.03 -0.02 0.02 -0.05 0.03 0.03 0.03 -0.01 -0.09 -0.01 0.04 -0.08 -0.09 -0.03 -0.06 0.09 0.08 -0.03 -0.11 -0.05 0.03 0.05 0.02 0.01 -0.00 0.00 -0.01 -0.03 -0.02 -0.00 0.01 0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.01 0.00 0.01 -0.04 0.05 -0.00 0.02 -0.05 0.01 0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.04 0.00 -0.00 0.01 -0.00 -0.06 -0.12 -0.06 -0.03 0.17 0.12 -0.00 -0.00 0.00 0.10 -0.05 -0.08 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.13 -0.03 0.04 0.08 0.03 -0.02 -0.03 0.15 0.02 0.09 0.09 0.03 -0.06 -0.06 -0.11 0.02 0.01 0.03 -0.03 -0.02 -0.03 0.06 -0.08 -0.01 0.01 -0.07 -0.03 -0.13 0.02 0.09 -0.11 -0.17 -0.05 -0.11 -0.13 -0.02 -0.04 0.19 0.12 0.02 0.17 0.08 -0.03 -0.01 -0.01 0.29 0.01 -0.11 0.34 0.05 -0.07 0.01 -0.02 -0.00 -0.01 0.01 0.00 -0.01 0.03 -0.02 -0.03 -0.03 0.00 0.01 0.02 -0.00 -0.22 -0.24 -0.07 -0.17 0.27 0.22 -0.09 -0.31 -0.14 0.01 0.00 -0.00 -0.08 0.05 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.02 0.01 -0.01 0.02 0.04 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.05 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.08 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.07 0.02 0.09 0.09 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 0.06 0.05 0.02 -0.00 -0.01 -0.04 0.08 0.04 0.07 0.07 0.02 0.00 -0.01 -0.02 0.03 0.04 -0.02 -0.02 -0.02 0.01 0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.08 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.19 -0.42 0.26 0.54 0.54 -0.06 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.04 0.00 -0.02 -0.03 0.01 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.02 0.02 0.16 0.09 -0.02 -0.07 0.02 -0.05 0.02 0.02 -0.11 -0.09 -0.11 0.07 -0.02 0.10 -0.04 -0.02 -0.08 -0.01 -0.03 0.04 -0.01 -0.08 0.05 -0.03 0.02 -0.05 0.08 -0.08 0.06 -0.02 0.01 0.01 -0.00 -0.01 -0.00 0.02 0.06 -0.02 -0.00 0.00 0.00 0.06 -0.00 -0.03 -0.02 0.01 0.01 -0.03 0.02 -0.02 0.01 0.00 0.00 0.05 0.03 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.25 -0.17 0.30 0.19 0.12 0.07 -0.02 -0.14 -0.23 -0.25 -0.40 0.07 0.08 0.26 -0.07 -0.04 0.15 0.21 -0.06 -0.10 0.00 0.03 0.15 0.01 0.01 0.01 0.04 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.19 0.14 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.05 -0.04 -0.02 -0.07 0.12 -0.00 0.03 -0.06 0.04 -0.09 -0.09 0.00 -0.05 0.12 0.01 0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.02 0.01 -0.01 0.07 -0.05 0.05 -0.00 0.00 -0.01 0.02 -0.04 -0.08 -0.00 0.13 0.21 0.06 0.07 -0.02 0.04 -0.02 -0.02 -0.05 -0.03 -0.07 0.04 -0.03 0.07 0.07 -0.11 -0.05 -0.02 -0.02 0.04 -0.01 0.04 -0.06 -0.02 0.03 -0.03 -0.18 0.15 -0.12 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.07 -0.07 0.01 -0.00 0.00 -0.00 -0.06 -0.00 0.03 -0.01 0.01 0.01 0.11 -0.01 0.04 -0.03 -0.02 -0.00 -0.04 -0.03 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.06 -0.35 -0.16 0.11 0.13 0.10 0.03 -0.04 -0.12 0.14 0.32 0.35 0.12 -0.09 -0.30 -0.03 -0.05 0.10 0.14 -0.07 -0.08 -0.03 0.03 0.13 -0.00 0.01 0.00 0.05 0.01 -0.02 -0.01 0.00 0.00 0.02 0.01 -0.00 -0.16 -0.10 -0.01 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.08 -0.02 0.04 0.03 -0.10 0.02 -0.04 0.22 -0.12 0.01 0.01 -0.01 0.06 -0.12 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.04 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.02 -0.05 0.08 -0.02 0.02 -0.03 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 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 -0.00 0.09 -0.02 -0.01 0.00 -0.02 -0.02 -0.00 0.00 0.02 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.02 -0.03 0.01 0.02 0.00 -0.00 -0.02 -0.41 0.14 0.14 0.46 -0.07 -0.29 -0.22 -0.18 0.01 0.27 0.17 0.03 -0.01 -0.00 -0.00 -0.32 -0.15 0.04 0.35 0.15 -0.03 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.03 -0.05 -0.01 0.01 -0.03 0.00 -0.00 0.00 -0.10 -0.05 -0.01 0.02 -0.03 0.02 -0.02 0.01 0.02 -0.01 0.02 0.03 0.02 0.05 -0.09 -0.03 -0.16 0.03 -0.09 0.01 0.04 -0.01 -0.07 0.00 0.02 0.01 0.04 0.06 -0.02 0.05 0.18 0.07 -0.06 0.01 0.01 0.02 -0.01 -0.01 -0.02 -0.14 0.06 -0.07 0.04 -0.01 0.01 0.00 0.01 -0.02 -0.09 -0.02 -0.02 -0.00 0.01 -0.00 0.05 -0.01 -0.02 0.03 0.01 -0.02 0.09 -0.00 0.03 0.01 0.01 0.00 0.06 0.05 -0.03 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.48 0.23 0.12 -0.01 0.04 0.05 -0.07 0.00 0.00 -0.00 0.03 0.04 0.28 0.13 0.12 -0.04 0.01 0.05 0.06 0.01 -0.02 0.06 -0.00 0.02 -0.23 0.04 0.06 -0.05 -0.04 -0.02 -0.05 -0.08 -0.00 0.07 0.04 0.00 0.16 0.08 0.02 -0.12 -0.04 0.02 0.08 0.04 -0.00 0.05 -0.03 -0.02 -0.11 0.43 -0.02 0.06 0.06 -0.00 -0.04 -0.05 0.00 -0.08 0.16 0.02 -0.01 -0.01 -0.02 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.13 -0.06 -0.01 -0.01 0.02 -0.01 -0.02 0.00 0.01 0.01 -0.02 -0.03 0.00 -0.03 0.05 0.02 0.13 -0.02 0.07 -0.00 -0.04 -0.02 0.04 -0.01 0.02 -0.05 0.08 -0.04 0.01 -0.03 0.23 0.07 -0.05 -0.01 -0.03 0.01 -0.01 0.04 -0.06 0.08 -0.04 0.05 0.04 -0.01 0.01 0.01 0.01 -0.02 0.05 0.02 0.01 0.00 0.00 -0.00 -0.03 0.01 0.01 -0.03 -0.02 0.02 -0.05 0.00 -0.02 -0.00 -0.00 -0.00 -0.05 -0.04 0.03 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.52 0.03 0.05 -0.20 0.15 0.16 0.10 -0.04 -0.15 0.01 -0.02 -0.02 -0.15 -0.07 -0.03 -0.01 -0.09 0.12 0.17 -0.11 -0.12 -0.07 0.04 0.18 -0.25 0.03 0.07 -0.11 -0.05 0.01 -0.06 -0.08 -0.00 0.05 0.03 0.00 -0.05 -0.02 -0.00 -0.11 -0.03 0.02 0.05 0.03 0.00 -0.01 0.05 0.01 0.09 -0.39 0.02 -0.02 -0.05 0.01 -0.01 0.00 -0.00 0.04 -0.12 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.01 0.06 0.00 0.04 0.01 -0.02 0.00 0.02 0.00 -0.01 -0.01 -0.01 0.04 0.04 -0.00 -0.02 -0.01 0.01 -0.00 -0.03 0.01 0.00 0.01 0.00 -0.08 -0.06 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.13 0.01 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.06 0.04 0.00 0.05 0.04 -0.00 -0.02 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.08 0.01 -0.01 -0.02 -0.00 -0.00 0.04 -0.00 -0.01 0.12 -0.05 -0.02 0.08 0.08 0.15 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 0.01 0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.58 0.31 0.07 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.07 -0.02 0.07 -0.30 -0.00 0.22 -0.18 0.17 -0.34 -0.34 0.04 -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 -0.01 -0.00 -0.00 -0.03 0.04 0.10 -0.02 -0.05 -0.05 -0.06 0.03 0.02 0.02 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.01 0.00 0.00 -0.01 0.07 -0.04 -0.01 0.01 -0.02 0.03 -0.05 0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.03 0.02 0.02 0.01 0.03 -0.01 -0.03 0.02 -0.02 0.02 0.02 -0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.09 -0.13 -0.01 -0.13 0.02 0.04 0.05 -0.01 -0.03 0.16 0.09 0.16 -0.19 -0.11 -0.16 -0.01 -0.02 0.04 0.04 -0.03 -0.03 -0.02 0.01 0.05 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.19 0.09 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.15 -0.26 0.10 -0.17 0.64 0.01 0.08 -0.14 0.09 -0.18 -0.17 0.02 0.22 -0.18 -0.09 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 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.03 0.04 0.02 -0.03 0.01 -0.01 -0.00 -0.09 0.00 -0.03 -0.02 0.03 -0.03 -0.00 -0.00 -0.01 0.08 0.01 0.01 -0.01 -0.03 0.02 0.02 -0.05 0.06 0.01 -0.01 0.01 0.02 0.02 0.01 0.03 0.01 -0.01 -0.00 -0.00 0.00 0.03 0.00 -0.00 -0.01 0.00 0.00 -0.03 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.02 0.00 0.01 -0.02 -0.00 0.01 0.01 0.00 -0.00 0.29 0.25 -0.02 0.60 -0.03 -0.14 -0.36 0.00 0.11 0.04 0.04 0.05 -0.06 -0.05 -0.07 0.02 0.09 -0.12 -0.15 0.10 0.12 0.09 -0.05 -0.19 -0.12 -0.01 0.04 -0.16 -0.03 0.04 -0.14 -0.07 0.01 -0.15 -0.05 0.03 0.03 0.01 0.01 -0.13 -0.04 0.02 -0.06 -0.02 0.01 -0.04 -0.08 0.03 -0.05 0.06 0.02 0.01 -0.03 0.02 -0.03 -0.03 0.00 0.08 -0.08 -0.03 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.04 -0.02 -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 0.01 0.01 0.02 0.01 -0.01 0.01 -0.00 -0.00 -0.02 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.05 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.02 0.01 -0.00 0.00 -0.01 -0.04 -0.02 -0.09 -0.03 0.04 0.00 -0.00 0.00 -0.09 -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 -0.01 0.00 0.00 0.07 0.01 -0.03 -0.04 -0.00 0.02 -0.01 0.12 0.01 0.19 -0.00 -0.04 -0.16 -0.00 0.04 0.01 0.02 0.02 -0.03 -0.03 -0.03 -0.00 0.03 -0.03 -0.04 0.04 0.04 0.04 -0.02 -0.06 0.13 0.04 -0.05 0.21 0.03 -0.03 0.41 0.16 -0.04 0.50 0.17 -0.12 0.01 0.00 0.00 0.41 0.13 -0.06 0.19 0.09 -0.03 -0.01 -0.02 0.01 -0.01 0.00 0.01 0.01 -0.01 0.01 -0.02 -0.01 0.00 0.02 -0.02 -0.01 0.01 -0.15 -0.08 0.02 -0.06 -0.04 0.04 0.17 0.08 0.01 -0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.05 0.04 -0.08 -0.00 0.00 -0.00 -0.00 -0.02 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 0.02 -0.01 0.00 0.00 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.47 0.13 -0.10 -0.42 -0.11 0.08 0.19 -0.12 -0.09 -0.03 0.14 0.14 -0.00 -0.00 -0.00 -0.40 -0.08 0.08 0.49 0.13 -0.13 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.06 -0.00 -0.00 -0.02 0.01 0.03 0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.02 -0.03 0.03 0.07 -0.02 0.02 -0.02 -0.01 -0.03 -0.00 0.02 -0.04 -0.01 -0.01 0.02 0.01 0.02 0.03 -0.00 0.01 -0.01 -0.07 0.03 0.01 0.03 -0.00 -0.04 0.03 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.02 0.04 -0.02 -0.01 -0.03 0.01 0.04 -0.02 0.02 -0.02 -0.02 0.00 -0.07 -0.00 0.03 0.01 0.00 -0.00 -0.00 0.00 0.00 0.31 0.00 -0.02 -0.10 -0.02 -0.01 0.36 0.03 -0.06 -0.17 -0.21 -0.29 0.22 0.16 0.27 0.06 -0.04 -0.03 0.01 -0.07 -0.03 -0.08 0.02 0.02 -0.04 -0.00 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.03 0.01 -0.01 -0.06 -0.02 -0.02 0.04 0.01 -0.01 -0.00 0.00 0.00 -0.10 -0.25 0.07 -0.11 0.27 0.00 -0.05 0.12 -0.07 0.13 0.12 -0.02 0.29 -0.28 -0.11 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.04 0.01 -0.03 -0.03 0.30 -0.12 -0.16 0.02 0.02 -0.01 -0.01 -0.01 0.02 -0.02 -0.00 -0.01 -0.00 0.01 0.01 0.02 -0.00 0.00 -0.06 -0.01 0.00 0.00 0.02 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.16 -0.16 0.09 -0.23 0.14 0.10 0.02 -0.01 0.01 -0.01 -0.01 0.00 0.09 0.07 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.20 0.00 0.00 -0.15 -0.03 0.00 0.30 0.03 -0.04 -0.04 -0.11 -0.12 0.12 0.10 0.15 0.03 -0.04 -0.01 0.02 -0.05 -0.03 -0.06 0.02 0.03 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.19 0.00 -0.11 -0.34 0.10 -0.02 0.05 -0.03 0.06 0.05 -0.01 -0.32 0.39 0.11 -0.00 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.03 -0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.01 0.01 -0.06 -0.03 0.04 -0.03 -0.01 0.02 -0.09 -0.01 0.03 -0.07 -0.01 -0.02 -0.02 -0.01 -0.01 0.09 0.01 0.02 0.02 0.08 -0.03 0.02 0.04 0.01 0.01 -0.01 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 -0.01 0.00 0.06 0.01 -0.03 -0.02 0.01 -0.01 0.01 0.01 -0.00 0.04 -0.01 -0.02 0.02 -0.00 -0.01 -0.02 0.01 0.01 0.59 -0.10 -0.06 -0.01 -0.04 -0.04 0.56 0.05 -0.07 0.12 0.12 0.19 -0.05 -0.04 -0.09 0.10 -0.06 -0.07 -0.01 -0.10 -0.03 -0.11 0.02 -0.00 -0.08 0.00 0.02 -0.09 -0.02 0.03 -0.01 -0.01 0.00 0.04 0.02 -0.01 0.02 0.00 0.01 0.05 0.00 -0.01 0.01 0.00 -0.01 0.06 0.14 -0.04 0.08 -0.03 -0.03 0.02 -0.05 0.03 -0.06 -0.06 0.01 -0.15 0.14 0.06 -0.04 -0.16 -0.08 -0.00 -0.00 0.00 0.02 0.09 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 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.03 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 -0.07 0.02 0.03 0.07 -0.05 -0.06 0.09 0.01 -0.00 0.01 -0.01 -0.01 0.09 0.01 -0.01 0.02 0.02 0.03 -0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.02 -0.00 -0.02 0.00 -0.01 0.13 0.06 -0.03 -0.02 -0.02 0.00 0.06 -0.03 -0.01 0.28 0.10 -0.06 0.00 -0.00 0.00 0.07 0.08 -0.01 -0.02 0.05 0.07 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.02 0.01 0.01 0.22 0.70 0.34 0.03 -0.03 -0.03 -0.07 -0.35 -0.19 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.04 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.02 0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.03 0.01 0.00 0.01 -0.00 -0.00 0.04 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.26 -0.15 0.02 0.32 0.15 -0.00 0.56 0.25 -0.07 -0.45 -0.20 0.02 -0.00 -0.00 0.00 -0.21 0.01 0.06 0.27 0.05 -0.07 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.04 0.14 0.04 0.01 -0.01 -0.01 -0.01 -0.06 -0.02 0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.00 0.01 -0.01 0.00 0.10 -0.02 0.01 -0.01 -0.00 0.03 0.04 -0.02 0.03 -0.13 -0.02 -0.03 0.02 -0.00 0.01 -0.03 0.01 -0.04 -0.00 -0.02 -0.01 -0.07 0.05 -0.01 0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.02 0.01 0.01 0.00 -0.00 0.03 0.00 -0.02 -0.05 -0.04 0.03 -0.03 0.01 -0.02 0.02 0.02 0.00 -0.03 0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.64 0.16 -0.13 -0.09 -0.02 0.37 0.05 -0.09 0.05 0.18 0.21 -0.20 -0.19 -0.29 0.04 -0.04 -0.04 0.06 -0.06 -0.03 -0.01 0.02 -0.00 0.07 0.01 -0.01 0.07 0.01 -0.02 -0.03 -0.00 0.00 -0.02 -0.01 0.01 0.00 -0.02 0.02 -0.03 -0.02 0.00 -0.04 -0.02 0.00 0.00 -0.08 0.00 -0.05 -0.04 0.04 0.04 -0.10 0.06 -0.10 -0.10 0.02 0.11 -0.07 -0.04 -0.01 -0.02 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.04 -0.01 -0.03 -0.04 0.02 0.10 0.01 -0.03 -0.15 -0.02 0.04 0.02 0.02 0.01 -0.03 0.00 -0.01 -0.00 -0.01 0.01 0.02 0.02 0.03 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.01 0.01 0.01 -0.00 -0.03 -0.01 0.01 0.03 0.03 -0.02 0.02 -0.01 0.01 -0.01 -0.00 -0.00 0.03 -0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.43 -0.08 0.01 0.64 0.05 -0.07 0.40 0.03 -0.10 -0.11 -0.07 -0.14 -0.08 -0.06 -0.06 0.12 -0.07 -0.11 0.01 -0.16 -0.02 0.01 0.01 -0.17 0.07 0.02 -0.02 0.07 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 0.03 0.02 -0.00 -0.04 -0.02 0.01 -0.04 -0.02 -0.00 0.00 0.08 -0.01 0.03 0.05 -0.02 -0.01 0.04 -0.02 0.03 0.04 -0.01 -0.07 0.05 0.03 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.03 0.01 -0.00 -0.09 0.01 0.05 0.07 -0.03 0.04 0.02 -0.01 -0.06 -0.01 0.02 -0.09 -0.04 -0.07 -0.01 0.00 -0.00 0.01 0.05 -0.03 0.01 0.01 0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 0.02 0.01 0.00 0.00 -0.00 0.05 0.01 -0.02 -0.05 -0.05 0.03 -0.03 0.02 -0.02 0.01 -0.01 0.01 -0.06 0.05 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.17 -0.11 -0.02 0.27 0.03 -0.02 0.11 0.00 -0.03 0.36 0.15 0.37 0.40 0.32 0.41 0.04 -0.03 -0.04 -0.00 -0.05 -0.00 0.01 0.00 -0.06 0.03 0.01 -0.01 0.03 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.03 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.02 -0.17 0.02 -0.05 -0.10 0.02 0.01 -0.04 0.02 -0.02 -0.04 0.01 0.13 -0.09 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.02 0.02 -0.02 0.04 0.01 0.10 -0.01 -0.06 -0.09 0.04 0.00 -0.04 -0.03 0.02 0.01 -0.01 -0.07 -0.03 -0.07 -0.02 -0.01 -0.01 -0.00 -0.05 0.03 -0.01 -0.00 -0.00 -0.00 -0.01 0.03 -0.02 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.01 0.03 0.01 -0.00 -0.06 -0.00 0.03 0.07 0.07 -0.04 0.01 -0.00 0.00 -0.02 -0.02 0.00 0.06 -0.06 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.01 0.53 0.10 -0.15 -0.06 0.00 -0.02 0.01 -0.02 0.25 0.09 0.24 0.31 0.26 0.42 -0.01 0.00 -0.01 0.04 0.02 -0.00 0.02 0.00 0.02 0.13 0.04 -0.03 0.13 0.03 -0.02 0.01 0.02 -0.01 0.01 0.01 0.01 -0.02 0.01 -0.01 -0.08 -0.05 0.02 -0.09 -0.04 -0.00 -0.01 0.14 -0.01 0.05 0.13 -0.07 -0.02 0.05 -0.03 0.06 0.05 -0.01 -0.14 0.08 0.06 -0.02 -0.03 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.03 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 0.01 0.02 -0.01 -0.03 0.02 0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 0.06 0.00 -0.01 0.00 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.04 -0.00 -0.05 -0.04 -0.00 -0.00 -0.00 0.00 0.15 0.07 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.04 -0.02 0.01 0.01 0.01 0.00 0.06 -0.10 -0.02 -0.02 0.02 0.01 -0.04 -0.00 0.02 -0.05 -0.02 -0.06 -0.05 -0.04 -0.06 -0.02 0.02 0.03 -0.03 0.02 0.01 -0.02 -0.01 0.02 0.38 0.15 -0.11 0.40 0.11 -0.02 0.20 0.09 -0.04 0.18 0.07 -0.01 0.01 0.00 0.00 -0.40 -0.24 0.08 -0.43 -0.18 -0.02 0.00 -0.02 0.00 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.08 -0.11 -0.03 -0.03 0.05 0.04 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.05 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.03 -0.01 -0.05 0.01 0.02 0.03 -0.01 -0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.02 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.05 -0.02 -0.01 0.00 0.00 0.09 -0.11 0.09 0.00 0.00 0.00 0.00 0.00 -0.00 -0.15 0.05 -0.08 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.02 -0.02 0.01 0.17 -0.08 0.10 -0.12 -0.04 -0.02 -0.02 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.15 0.03 -0.04 -0.02 -0.00 0.02 0.01 -0.01 0.15 0.12 0.17 -0.22 -0.11 -0.08 0.02 -0.02 -0.03 0.04 -0.01 -0.01 0.03 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.27 0.24 -0.01 0.01 0.01 -0.00 0.01 0.00 0.00 0.00 -0.05 0.00 -0.01 -0.06 0.02 -0.15 0.40 -0.24 0.35 0.43 -0.07 0.04 -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 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.12 0.03 0.07 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 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 0.03 -0.04 -0.01 -0.10 0.00 0.01 -0.10 -0.02 0.02 -0.02 -0.01 -0.02 0.00 -0.00 -0.00 0.25 -0.27 -0.42 0.53 -0.19 -0.09 0.46 0.09 -0.31 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.01 0.02 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 -0.01 0.00 0.00 0.00 -0.00 -0.02 0.01 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.06 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.11 -0.06 0.00 0.13 0.04 -0.03 0.00 -0.00 0.00 -0.08 -0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.01 0.00 -0.01 0.00 0.00 0.03 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 -0.04 -0.01 -0.04 -0.02 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.47 0.21 -0.13 0.48 0.14 -0.01 -0.39 -0.04 0.04 -0.32 -0.09 0.15 -0.00 -0.00 0.00 0.15 0.17 -0.05 0.20 0.10 0.08 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.00 0.04 -0.05 -0.05 -0.02 -0.03 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.02 0.05 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.09 -0.04 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 -0.01 -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 0.01 -0.00 0.02 0.01 -0.00 -0.09 0.09 -0.01 -0.04 0.02 0.12 -0.00 -0.00 0.00 0.19 -0.26 0.03 0.07 -0.05 -0.32 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.12 0.26 0.11 -0.34 0.36 0.35 0.23 0.44 0.17 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.03 -0.04 -0.01 -0.09 0.12 -0.01 -0.07 0.01 0.01 0.00 -0.01 0.01 -0.03 -0.03 0.00 0.01 0.00 0.07 0.02 -0.03 -0.01 0.00 -0.00 0.01 0.14 -0.03 -0.00 -0.00 -0.00 -0.01 0.02 -0.03 0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.04 -0.01 -0.00 0.03 -0.01 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.02 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.44 0.08 -0.03 -0.10 -0.02 0.03 0.01 -0.08 -0.50 0.14 -0.28 -0.24 -0.11 0.51 0.00 0.01 -0.02 0.01 0.04 0.01 -0.01 -0.00 0.03 -0.03 -0.03 0.01 -0.04 -0.02 -0.02 0.02 -0.00 -0.00 0.02 0.00 -0.01 -0.02 -0.03 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.05 -0.10 0.03 0.04 -0.12 -0.02 0.01 -0.03 0.02 -0.04 -0.04 0.00 0.02 -0.03 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.04 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.04 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.00 0.01 0.01 0.01 0.06 -0.11 0.00 0.02 -0.04 -0.12 -0.00 -0.00 -0.00 -0.24 0.55 -0.05 -0.01 0.19 0.58 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.05 0.02 -0.20 0.20 0.19 0.15 0.27 0.11 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.03 -0.04 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.07 0.01 -0.06 0.50 0.11 0.04 0.01 0.52 -0.04 0.04 0.00 -0.03 -0.01 0.05 -0.10 -0.01 0.28 -0.16 -0.43 -0.10 -0.02 0.00 -0.37 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.02 0.24 0.07 0.08 -0.02 0.19 -0.01 0.01 0.00 -0.01 -0.00 0.01 -0.10 0.51 -0.41 0.45 0.18 0.01 -0.46 -0.08 -0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.05 0.02 -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.14 -0.42 0.04 -0.02 -0.16 -0.41 -0.15 0.51 -0.06 0.05 0.19 0.50 0.00 0.00 0.00 -0.06 0.11 -0.01 -0.01 0.03 0.12 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.03 -0.04 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 0.03 0.00 0.06 0.39 0.06 0.13 0.00 0.39 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.17 -0.29 -0.12 -0.06 0.45 0.12 0.27 0.04 0.50 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.02 0.00 -0.01 -0.11 0.01 0.01 -0.10 0.01 0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.03 0.02 0.03 -0.00 0.00 -0.00 -0.01 0.03 0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.14 -0.02 -0.00 0.20 -0.02 -0.00 0.00 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 0.09 0.02 -0.02 -0.01 0.00 0.01 0.00 -0.00 0.26 -0.40 -0.13 0.23 0.13 -0.42 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.16 -0.29 0.10 0.21 -0.45 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.07 -0.15 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.05 -0.04 -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.01 0.02 0.01 -0.01 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.26 0.49 -0.03 -0.06 0.18 0.52 -0.10 0.41 -0.05 0.05 0.15 0.39 0.00 0.00 0.00 -0.04 0.07 -0.01 -0.01 0.02 0.08 -0.01 -0.01 0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.03 0.04 0.01 0.05 -0.10 0.01 -0.02 -0.00 -0.00 -0.06 0.01 -0.00 0.02 0.02 -0.00 -0.00 0.01 0.03 -0.03 -0.02 0.01 -0.00 0.00 -0.00 -0.10 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 0.01 0.07 -0.01 -0.00 0.11 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.04 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.31 -0.06 0.02 -0.02 -0.00 -0.02 -0.01 -0.03 -0.24 0.57 0.31 -0.30 -0.19 0.40 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.00 0.01 -0.01 -0.03 0.00 -0.02 0.00 -0.00 -0.01 -0.02 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.08 -0.14 0.06 0.09 -0.19 -0.03 0.01 0.00 0.00 0.03 0.01 0.00 0.02 -0.07 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.05 0.02 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.07 -0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.20 0.15 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.31 0.14 0.05 0.35 -0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.09 0.01 0.02 0.11 0.09 0.13 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.02 0.03 -0.00 0.00 0.01 0.03 -0.08 -0.08 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.33 0.06 -0.14 -0.63 -0.22 -0.12 -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 -0.02 -0.02 -0.00 0.00 -0.01 -0.06 0.04 0.03 -0.02 -0.18 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 0.01 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 0.08 -0.31 -0.01 0.03 0.16 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.13 0.33 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.05 0.02 -0.02 -0.01 0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.37 0.22 -0.20 0.17 -0.19 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.56 -0.15 -0.25 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.10 -0.05 -0.01 0.00 0.00 -0.00 0.01 -0.02 -0.04 0.00 -0.00 0.00 0.36 0.32 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.26 -0.29 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.21 -0.09 -0.06 -0.16 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.16 -0.06 -0.06 0.13 0.11 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 -0.01 -0.00 -0.00 -0.00 -0.01 0.48 -0.04 0.20 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.29 -0.13 0.17 0.20 0.04 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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 0.06 -0.20 -0.34 0.01 0.02 -0.18 0.04 0.01 -0.04 0.01 0.04 -0.00 -0.00 0.06 0.04 0.01 -0.01 0.00 -0.01 -0.02 -0.03 -0.00 -0.07 -0.02 -0.11 0.24 0.65 -0.00 -0.00 -0.00 0.04 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.03 0.00 0.00 0.00 -0.00 -0.03 -0.00 0.02 -0.01 -0.07 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.38 -0.07 -0.03 -0.05 0.00 -0.10 -0.02 -0.07 -0.01 0.21 0.14 -0.01 -0.01 0.16 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.02 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.04 0.00 -0.06 0.10 0.01 0.02 -0.01 0.01 0.01 -0.00 0.00 -0.06 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 0.00 -0.03 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 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 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -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 0.02 0.36 0.21 0.02 -0.31 -0.19 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.02 0.01 -0.02 -0.01 -0.02 0.00 -0.00 0.00 -0.07 -0.16 -0.00 -0.10 -0.10 -0.10 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.29 -0.29 -0.06 -0.39 0.05 0.18 0.39 0.34 0.06 0.01 -0.04 -0.02 -0.00 0.00 0.00 0.01 -0.44 -0.25 0.00 -0.02 -0.03 0.01 -0.00 -0.03 0.00 0.01 -0.01 0.00 0.00 -0.00 0.03 -0.06 -0.04 0.00 0.02 0.01 -0.00 -0.00 -0.00 -0.06 0.68 0.41 -0.01 0.01 0.07 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.04 0.02 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 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.06 -0.03 -0.00 0.05 0.03 0.07 0.01 -0.00 -0.03 -0.03 0.01 -0.00 0.03 -0.01 0.01 0.03 0.02 0.01 0.01 0.03 -0.03 0.02 0.04 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.17 -0.04 0.01 0.12 0.02 -0.12 -0.03 -0.01 -0.01 -0.02 -0.02 0.01 0.00 -0.00 0.00 0.01 0.02 0.01 0.01 0.02 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.05 0.06 0.01 0.06 -0.00 -0.02 -0.06 -0.05 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.06 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 0.01 -0.01 -0.00 -0.05 0.03 -0.06 0.02 -0.00 0.00 -0.00 0.09 0.05 0.66 -0.27 0.64 -0.25 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 -0.01 -0.03 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 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.03 0.04 -0.08 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.07 -0.06 0.15 -0.06 0.00 -0.00 0.00 0.09 0.09 0.72 0.23 -0.57 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.41 -0.22 -0.17 0.09 -0.18 0.63 -0.06 0.55 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.02 -0.06 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.08 0.04 -0.11 0.05 0.07 0.03 0.53 -0.31 0.70 -0.29 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.05 0.12 -0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -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 -0.06 -0.03 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.05 0.00 -0.05 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.13 0.06 0.68 -0.21 0.60 -0.28 0.01 0.00 0.06 -0.05 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.04 -0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -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 -0.02 0.05 -0.21 0.11 -0.19 0.70 -0.06 0.61 -0.04 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.12 -0.07 -0.05 -0.01 0.03 -0.08 0.01 -0.02 0.00 0.01 0.00 0.05 -0.02 0.05 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.07 0.00 -0.03 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.10 -0.19 0.86 -0.00 0.01 -0.05 -0.04 0.38 -0.02 0.04 0.05 -0.07 0.01 -0.02 0.00 -0.03 -0.01 -0.01 0.02 -0.03 0.12 0.02 -0.19 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.02 0.03 -0.08 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.03 -0.23 -0.08 0.23 -0.10 0.09 0.07 0.78 0.18 -0.41 0.15 -0.00 0.00 -0.00 0.01 0.01 0.11 0.04 -0.08 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 0.01 -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 -0.03 -0.00 0.03 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.07 0.33 0.04 -0.06 0.23 0.02 -0.27 0.01 0.02 0.03 -0.03 0.01 -0.01 0.00 -0.12 -0.08 -0.04 -0.08 0.16 -0.57 -0.07 0.60 -0.01 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 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 -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 0.01 -0.01 0.06 0.03 -0.05 0.19 -0.01 0.05 -0.00 0.02 0.02 -0.03 0.01 -0.01 0.00 0.70 0.36 0.28 0.03 -0.09 0.27 -0.06 0.40 -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 0.01 0.01 -0.06 0.05 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.04 -0.17 -0.09 0.14 -0.57 -0.06 0.62 -0.02 -0.05 -0.06 0.08 -0.02 0.04 -0.00 0.04 0.01 0.02 -0.03 0.07 -0.27 -0.05 0.35 -0.01 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.08 -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 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.13 0.08 0.65 0.18 -0.57 0.24 0.03 0.03 0.28 0.08 -0.19 0.07 -0.00 0.00 -0.00 0.00 0.00 0.04 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 -0.01 -0.00 0.01 -0.01 0.05 0.02 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 0.13 0.01 -0.02 0.07 0.00 -0.06 0.00 -0.40 -0.52 0.62 -0.20 0.33 -0.04 0.01 0.01 0.01 0.00 -0.01 0.03 0.00 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.69 -0.14 -0.35 -0.38 -0.31 -0.04 0.32 -0.08 -0.17 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.02 -0.03 -0.01 0.05 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.00 0.01 0.01 0.03 -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 -0.52 0.11 0.26 -0.39 -0.32 -0.05 0.53 -0.14 -0.29 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.08 0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.17 0.21 -0.26 -0.49 0.78 -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 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.09 -0.02 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 -0.01 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 0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.10 -0.02 -0.05 0.53 0.46 0.07 0.59 -0.17 -0.33 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 0.04 -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 0.01 -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 -0.18 0.60 -0.35 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.54 -0.38 -0.01 0.12 -0.11 0.09 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.03 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.18 0.57 -0.33 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.54 0.38 0.01 -0.19 0.19 -0.15 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.07 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.30 0.16 0.13 0.06 0.02 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.47 0.75 -0.28 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.08 -0.03 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.15 -0.08 -0.06 0.85 0.28 -0.41 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 0.00 -0.05 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.07 -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 0.28 0.20 0.00 0.58 -0.56 0.47 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.01 0.00 -0.01 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.75 -0.41 -0.32 -0.15 -0.05 0.07 0.00 0.00 0.00 0.00 -0.00 0.00 0.18 0.30 -0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 345.16886 0.99911 0.0366 -0.02088 -0.0366 0.99933 4.5E-4 0.02088 3.1E-4 0.99978 asymmetric 1 0.01247 0.00902 0.00735 0.25987 0.18800 0.15305 1033367.0 15.28 34.58 42.27 62.30 67.08 72.00 86.38 111.55 115.80 133.61 144.23 147.80 173.92 189.32 212.10 240.45 253.52 293.46 312.51 319.36 341.12 362.08 366.52 463.35 499.66 523.44 538.61 609.89 635.05 709.83 742.07 769.99 814.00 826.87 876.85 888.30 922.41 949.92 974.07 1017.29 1068.92 1078.85 1093.18 1116.49 1120.06 1140.61 1148.64 1216.69 1217.83 1266.91 1273.75 1280.22 1290.33 1292.90 1296.82 1313.10 1325.07 1355.18 1365.52 1367.42 1387.82 1438.67 1460.30 1467.95 1486.18 1493.20 1535.30 1543.39 1554.25 1562.23 1595.34 1606.47 1614.33 1626.82 1642.61 1651.42 1685.35 1719.97 1756.40 1776.70 1781.07 1794.63 1827.31 1857.94 1866.90 1875.17 1881.82 1896.84 1897.85 1906.84 1914.73 1953.22 1981.74 1984.84 1993.89 2005.80 2017.42 2025.30 2058.81 2076.63 2090.10 2094.99 2117.31 2132.24 2134.53 2146.09 2153.41 2161.03 2177.83 2189.13 2224.11 2345.30 2390.27 2426.80 2449.50 4315.56 4342.17 4351.52 4367.63 4395.37 4397.43 4419.63 4429.02 4432.44 4452.11 4468.99 4475.31 4479.85 4487.52 4504.49 4569.10 4614.36 4660.85 4674.46 4680.47 4699.58 4711.14 4718.56 0.393589 0.418425 0.419369 0.334926 -1164.889422 -1164.864586 -1164.863642 -1164.948085 262.566 91.126 177.726 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 35.018 260.788 85.165 99.297 1 0.593 1.987 7.891 2 0.593 1.985 6.269 3 0.593 1.984 5.871 4 0.595 1.980 5.102 5 0.595 1.979 4.956 6 0.595 1.978 4.816 7 0.597 1.973 4.456 8 0.599 1.964 3.952 9 0.600 1.962 3.879 10 0.602 1.954 3.599 11 0.604 1.949 3.450 12 0.605 1.947 3.402 13 0.609 1.932 3.086 14 0.612 1.922 2.923 15 0.617 1.905 2.705 16 0.624 1.883 2.468 17 0.628 1.872 2.368 18 0.640 1.834 2.097 19 0.646 1.815 1.982 20 0.648 1.808 1.943 21 0.656 1.784 1.825 22 0.664 1.760 1.719 23 0.665 1.755 1.698 24 0.707 1.631 1.300 25 0.725 1.581 1.178 26 0.737 1.547 1.106 27 0.745 1.525 1.062 28 0.786 1.418 0.879 29 0.801 1.380 0.822 30 0.849 1.265 0.675 31 0.871 1.215 0.620 32 0.890 1.172 0.576 33 0.922 1.105 0.512 34 0.931 1.086 0.495 35 0.968 1.012 0.434 36 0.977 0.995 0.421 0.961530e+27 26.982963 62.130568 0.380062e+12 11.579854 26.663600 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.100371e+08 7.001607 16.121796 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.283011 4.444E-9 5.145E-6 0.3935887 0.4184252 -1164.8645858 -1164.8636416 -1164.948085 -0.0250436,12.6043184,-12.5792748,-15.6168886,-3.3942067,-4.4844164 C01 [X(C18H23N3O4)] -1.5922611 -0.7787475 1.7241137 -0.7191429 0.6211653 -0.4344464 0.5828415 -1.8618356 0.5608283 -0.4005015 0.4677099 -1.1730793 -0.9899609 -0.0234537 -0.3899529 0.0456588 -0.4641802 0.1791192 -0.4259832 0.1620494 -0.5085213 -0.6884984 0.0876252 -0.3186476 -0.1602516 -0.9186025 -0.4615028 -0.5877343 0.021733 -1.7671324 -1.1976358 -0.1066806 0.3103015 0.0271033 -0.7432604 -0.5986663 0.4612707 -0.3343259 -1.9243032 -1.688718 -0.0906175 0.4036137 0.2528723 -0.6460054 -0.1361757 0.1015608 0.1813909 -1.1477029 -1.249521 -0.5616097 -0.8204146 -0.4081425 -0.2747534 -0.3497496 -0.742407 -0.3969876 -0.9092834 -0.7015471 -0.1952811 -0.2392206 -0.1364471 -0.5311724 -0.1130723 -0.2883391 -0.1584842 -0.6636754 0.5573122 0.1586784 0.421176 0.177027 0.136852 -0.0343343 0.384628 -0.1085164 0.3404179 0.0986171 -0.0436202 -0.0676341 -0.065786 0.1187254 -0.0081969 -0.0323305 -0.0802805 0.0612199 0.2112629 -0.0277279 -0.2370578 -0.2067036 0.4826167 -0.1322167 -0.2403468 -0.2812895 1.1005594 0.8400889 -0.4093359 0.6842458 -0.1820932 1.798822 0.0429119 0.8610628 -0.3878142 2.4527869 2.9900508 0.4405435 -0.3174883 0.0774713 0.7034243 0.8360121 -0.2385618 0.6544042 2.5065043 0.1418691 0.0462847 -0.0068308 0.0270817 0.0095006 0.0023801 -0.0277312 0.0357136 0.0804173 0.6175061 0.2697389 0.2039976 0.2891154 -0.0284345 0.0521617 0.2948681 -0.1156741 0.0547969 0.5591968 -0.2302754 0.0193619 -0.2423972 1.1369539 -0.0968418 -0.0113352 0.0482764 0.4360613 0.1327263 0.106167 -0.0453361 0.0706643 0.0059019 -0.0021483 -0.070803 0.0292126 0.0175042 -0.1385616 0.0969658 -0.0211945 0.0986352 0.0005477 -0.0858504 -0.0269277 -0.0664136 -0.2196552 0.1975518 0.0778548 -0.1402933 0.0506452 0.1533909 -0.0214028 -0.162162 0.0515669 -0.1098091 0.4406436 0.1779683 0.4066517 -0.2213698 -0.201153 -0.144419 0.1879956 -0.0043633 -0.0307334 0.322151 0.3865311 0.3230049 0.4747401 0.4106593 0.3825287 0.5113937 0.4065027 0.4917727 -0.1975103 0.0107349 0.0435093 -0.0107853 -0.0238014 -0.0917656 0.0223675 -0.1142089 -0.2107994 0.3580031 -0.1731114 0.3410273 -0.2474719 0.034022 -0.1495464 0.3954564 -0.167534 0.1127275 -0.0100093 -0.2167601 0.0624492 -0.0752361 0.1374543 0.0934692 0.1299733 0.0065533 -0.0970084 -0.1324257 -0.1492892 0.2863761 -0.1597252 0.0572995 0.0058642 0.2672827 0.0328055 0.4668147 -0.3711376 -0.1740982 0.0595854 -0.2121338 -0.0420385 -0.0540089 0.0248887 0.0309587 -0.3682247 0.0214891 -0.0577162 0.0078765 -0.0111629 0.0468865 -0.0136567 0.0634162 0.0113474 0.0227368 -0.0738979 -0.008501 0.1400904 0.015148 0.0212459 0.0244408 0.0993831 0.0353873 0.010621 -0.0354707 -0.0563818 -0.1292158 -0.0237726 0.0090624 -0.0409224 -0.1383055 -0.0435868 -0.0245204 -0.0435338 0.0744669 0.0113256 0.0110002 0.0982399 0.0522952 -0.0173999 0.0914487 0.0116771 0.1280048 -0.1122417 -0.0430652 -0.0454441 0.0283257 -0.0143396 -0.0120966 0.0239984 -0.0469755 0.078608 0.0666036 -0.0298341 0.0743621 -0.0953236 0.1190212 -0.0386224 0.1384767 -0.0645195 -0.1268 -0.0005693 0.1427249 -0.0441575 0.0388621 0.0238303 0.1432321 -0.0149238 0.0086238 -0.0511043 -0.0828776 -0.1250057 -0.0527504 0.0185133 -0.0808591 -0.0963809 -0.1133052 -0.0175412 -0.0011966 0.0385766 0.099834 0.0055994 -0.0328209 0.0827288 0.1017213 -0.0155351 -0.068012 -0.1118128 -0.0781858 -0.0838328 -0.0155545 -0.0812972 -0.0056852 -0.0368948 -0.0456608 0.0648013 -0.0278042 0.0250692 0.1096322 0.0145741 0.0716118 0.0246971 0.0933544 0.0196549 -0.0672132 -0.0759403 -0.1168674 -0.0742684 -0.1034946 -0.0529841 -0.0405875 -0.0626601 -0.0254046 0.0433286 0.0743056 -0.0771987 -0.0416253 -0.0832378 0.1121002 0.0181167 -0.0231606 0.0159525 0.2149756 -0.0190279 0.0371656 0.1154736 0.0584043 0.0562935 0.0929231 0.1079985 -0.0242642 -0.1275013 -0.0789411 -0.1187041 -0.1491696 -0.0732608 -0.0532505 0.0206075 -0.0632459 -0.0507669 0.0416374 0.1613651 0.0031976 -0.0575464 0.0309845 0.0969533 -0.0440315 -0.0536628 -0.0515442 0.2092143 0.1039492 0.0215329 -0.052022 0.0435966 0.1261557 -0.0173954 -0.0619042 -0.0148695 0.1671435 0.139082 0.0289464 -0.0594007 0.0333078 0.0748715 0.1141633 -0.067278 0.1000391 0.1477282 0.100551 -0.0656473 -0.043771 -0.0470271 0.1032838 0.0680643 -0.0474226 0.0550281 0.2015256 0.0385115 0.0699696 -0.0942747 0.0445219 0.107073 -0.0187038 -0.0959762 0.0054662 0.1684146 0.1198901 0.1393432 -0.0327897 0.1257595 -0.1366851 -0.0495882 -0.0446946 -0.0166371 0.0431721 0.1281416 0.0930975 -0.120624 0.1076866 0.0379488 0.0780206 -0.1048994 0.0428236 -0.0220411 0.1693205 0.0985248 -0.0172952 0.0896049 -0.0459994 -0.0685171 -0.032086 -0.0361094 0.0910693 334.0442663|-2.097922|338.0711422|37.2478518|2.7486848|345.8014179 0.000005253 -0.000000945 -0.000000111 -0.000002969 -0.000007039 0.000005686 -0.000001038 -0.000003079 -0.000001076 -0.000005920 0.000001025 0.000008552 0.000007425 -0.000001824 -0.000004568 -0.000007354 0.000006096 0.000005127 0.000006813 0.000001137 -0.000025625 -0.000001784 -0.000007445 -0.000001787 -0.000002263 -0.000005716 -0.000006306 -0.000001225 0.000002989 0.000002115 -0.000005635 0.000001097 0.000005882 -0.000000248 0.000003114 -0.000013757 -0.000006043 0.000002493 -0.000001541 0.000016127 0.000004071 -0.000005884 -0.000000822 0.000002144 0.000003833 0.000003345 -0.000006247 0.000000098 -0.000011624 0.000000326 0.000000805 0.000000673 0.000002987 0.000003060 0.000008309 0.000016505 -0.000003008 -0.000009533 -0.000008291 -0.000000122 -0.000005786 0.000006687 -0.000001224 0.000008757 0.000003431 0.000003636 -0.000009489 -0.000005969 0.000008230 0.000006741 -0.000000788 0.000007304 0.000004021 0.000003672 0.000003970 -0.000001707 -0.000001141 -0.000002253 -0.000004761 -0.000004019 -0.000000101 -0.000001272 -0.000005264 0.000001043 -0.000000875 -0.000001010 -0.000002192 0.000000851 -0.000000043 -0.000002709 -0.000003542 -0.000006616 -0.000001426 -0.000001227 -0.000004622 -0.000003705 -0.000003935 -0.000004423 -0.000005006 0.000001292 -0.000004241 0.000002672 0.000002912 -0.000001610 0.000001961 0.000001258 0.000000385 0.000002405 0.000000328 0.000001287 0.000000517 0.000000823 0.000004601 -0.000004317 0.000001501 -0.000000218 0.000004676 0.000004539 0.000000186 0.000006146 -0.000002034 0.000001696 -0.000000137 -0.000005722 -0.000000285 -0.000002590 0.000001886 0.000003104 0.000000304 0.000002551 -0.000000108 0.000003027 0.000000057 0.000004656 -0.000002304 0.000003764 0.000002692 0.000005866 0.000003762 0.000004122 0.000002453 0.000003823 0.000000441 0.000002383 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 10-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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/water/CONF1003/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction pefurazoate CONF1003 water 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 2358.1763050763 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 -0.0584621323 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.140681 0.000000 2.250472 4.926251 0.000000 2.947833 4.980177 3.326212 0.000000 2.693073 3.229849 3.578146 2.277060 0.000000 4.007548 4.564793 5.214504 2.293726 2.371604 0.000000 6.119769 5.964329 7.427181 4.400982 4.309494 2.218558 0.000000 2.364872 3.544938 2.433144 2.722943 1.477640 3.720896 5.752347 0.000000 3.706682 4.981670 2.871745 3.184642 2.503418 4.436741 6.329560 1.531332 0.000000 3.477619 2.449166 4.756759 3.635505 1.487751 2.841982 4.208101 2.538904 3.597131 0.000000 1.327829 3.822374 1.216209 2.708606 2.487806 4.232163 6.423479 1.532070 2.557556 3.589431 0.000000 2.942091 4.138102 3.826472 1.227336 1.346455 1.435892 3.614663 2.406457 3.139672 2.503542 2.884279 0.000000 4.901775 5.363436 4.353843 4.218597 3.028795 4.849193 6.359929 2.539288 1.529052 3.635957 3.908920 3.844486 0.000000 3.281226 1.378750 5.105757 4.250602 2.487058 3.353973 4.598352 3.358022 4.714013 1.487156 3.898273 3.219040 4.986588 0.000000 1.457243 4.126286 2.724761 3.780556 4.087243 4.987319 7.036135 3.739570 4.931235 4.852738 2.393392 4.063532 6.246390 4.415376 0.000000 2.377523 4.009480 4.189417 4.470526 4.650253 5.067257 6.832428 4.706061 6.059694 5.087332 3.628850 4.530976 7.231875 4.259926 1.514648 0.000000 3.938052 2.238817 6.006670 4.749227 3.465916 3.453516 4.270091 4.505157 5.871971 2.610790 4.816722 3.767147 6.201594 1.359998 4.772544 4.191080 0.000000 3.757645 5.415503 5.185773 5.659190 6.132703 6.363038 8.022597 6.117052 7.388633 6.610188 4.886554 5.893075 8.645702 5.733408 2.515736 1.527766 5.513872 0.000000 4.401419 5.064141 5.863746 2.956856 3.510347 1.387519 2.260412 4.768101 5.623205 3.871300 4.928778 2.485592 6.186335 3.909535 5.040394 4.785011 3.535700 5.876141 0.000000 5.226730 5.212456 6.347126 3.451095 3.122378 1.372093 1.313597 4.539205 5.039946 3.170189 5.350212 2.539002 5.050554 3.876763 6.301532 6.337780 3.932529 7.651988 2.219286 0.000000 4.199840 2.239340 6.384512 5.709475 4.508111 4.739458 5.613310 5.253618 6.731959 3.719246 5.276087 4.881640 7.181607 2.244213 4.719346 3.861623 1.435394 4.992901 4.642086 5.342788 0.000000 3.744953 1.372462 5.766751 5.789110 4.354793 5.239873 6.447782 4.743817 6.236508 3.605343 4.723768 5.018681 6.711591 2.210958 4.323642 3.746666 2.236822 4.941375 5.403701 5.929357 1.357599 0.000000 5.687153 5.865489 7.168704 4.157226 4.475900 2.188565 1.387313 5.856501 6.622850 4.539759 6.200057 3.572527 6.951739 4.592580 6.358523 5.976270 4.018156 7.012648 1.363654 2.152443 5.184670 6.132497 0.000000 4.937797 5.963295 6.602092 6.683323 7.052775 6.971279 8.317570 7.254015 8.606654 7.310198 6.170264 6.774101 9.766715 6.232327 3.885479 2.560351 5.702723 1.504024 6.263620 8.159611 4.976325 5.183690 7.203235 0.000000 5.209292 5.576134 7.158104 6.839487 6.951597 6.682283 7.758580 7.375397 8.806580 6.966035 6.519171 6.711140 9.814855 5.747666 4.470460 2.970318 4.984992 2.538264 5.899779 7.733468 4.156188 4.619994 6.658539 1.333869 0.000000 2.699107 3.015468 2.946941 3.755592 2.065407 4.423794 6.314664 1.093144 2.145389 2.486369 2.092437 3.265946 2.728566 3.154194 4.063722 4.937270 4.443506 6.366681 5.456382 5.123171 5.029602 4.298630 6.476029 7.449158 7.506191 0.000000 3.956114 5.639780 3.016229 2.637100 2.763037 4.169286 6.050734 2.154123 1.092523 4.076465 2.843639 2.905719 2.170267 5.197687 5.046968 6.179527 6.205665 7.433315 5.295709 4.806736 7.152779 6.817622 6.295020 8.660321 8.908249 3.047245 0.000000 3.978867 5.455531 2.590858 3.935245 3.417531 5.429396 7.390289 2.131896 1.092135 4.455943 2.693021 4.066547 2.161625 5.429499 5.035576 6.319904 6.626735 7.549451 6.542231 6.110620 7.331585 6.679027 7.613006 8.861030 9.186172 2.476839 1.757632 0.000000 3.935089 2.597396 4.897008 4.355744 2.079852 3.842066 5.128456 2.579285 3.441767 1.088855 3.823264 3.327730 3.196271 2.128577 5.353663 5.734780 3.399732 7.258334 4.943588 4.042530 4.304272 3.904320 5.583828 8.023615 7.720334 2.147267 4.157454 4.179951 0.000000 4.399630 3.302225 5.647959 3.966386 2.119248 2.596866 3.431033 3.385401 4.186623 1.084747 4.503911 2.749297 3.970937 2.109807 5.731060 5.854816 2.821027 7.350348 3.663060 2.451913 4.131470 4.297055 4.025962 7.940247 7.485063 3.458776 4.515291 5.155196 1.745915 0.000000 5.811587 6.450959 4.946614 4.873728 4.023868 5.642540 7.051123 3.485735 2.166822 4.694297 4.711754 4.665489 1.092871 6.069300 7.087682 8.159286 7.263540 9.528413 6.981883 5.760528 8.267604 7.799555 7.705286 10.700879 10.805375 3.731376 2.503112 2.500346 4.256353 4.934308 0.000000 5.089037 5.063163 4.663523 4.974010 3.400202 5.447562 6.916946 2.798809 2.176603 3.652940 4.175332 4.469937 1.094368 4.893788 6.455567 7.398880 6.196259 8.833787 6.766323 5.627775 7.052343 6.434021 7.519902 9.925196 9.931335 2.537609 3.082180 2.513741 2.920830 4.090648 1.769361 0.000000 5.077663 5.253856 4.927690 4.027933 2.731603 4.179808 5.442004 2.818025 2.183038 3.159882 4.283775 3.441185 1.093248 4.622524 6.474133 7.285234 5.730987 8.742927 5.560561 4.153968 6.857428 6.571714 6.167702 9.752015 9.676666 3.096777 2.539589 3.080121 2.867285 3.220437 1.765504 1.769215 0.000000 2.076985 5.049150 2.655636 3.482032 4.385089 5.022194 7.093488 4.037270 4.994756 5.387407 2.625228 4.079526 6.412677 5.141840 1.092246 2.176491 5.461746 2.797174 5.008044 6.380849 5.568573 5.313102 6.358732 4.213095 4.938956 4.590765 4.885314 5.085408 5.951772 6.178423 7.148643 6.782138 6.645084 0.000000 2.081255 4.439036 2.744569 4.651900 4.752472 5.956418 8.032389 4.120813 5.233986 5.454399 2.714238 4.933343 6.557994 5.005382 1.092261 2.177969 5.481109 2.815425 6.098697 7.236197 5.255971 4.615842 7.409959 4.223129 4.934362 4.250623 5.479821 5.123441 5.777607 6.421788 7.364410 6.644675 6.935142 1.779175 0.000000 2.595022 3.291742 4.581851 5.022869 4.697561 5.332047 6.997195 4.768980 6.228722 4.835050 3.885391 4.841991 7.260805 3.792479 2.135705 1.093340 3.722138 2.164615 5.149644 6.491912 3.111006 2.815710 6.244945 2.816959 2.906517 4.765367 6.520310 6.490009 5.383598 5.645723 8.251505 7.275031 7.305853 3.063757 2.496732 0.000000 2.572532 4.040837 4.520634 3.955959 4.299331 4.245962 5.879690 4.673393 6.009351 4.726594 3.807610 3.950582 7.105698 3.934966 2.134703 1.094682 3.660346 2.165818 3.786009 5.503025 3.582036 3.819415 4.942259 2.824491 2.925882 5.043083 6.014604 6.442237 5.536251 5.336063 8.037571 7.373393 7.005917 2.506020 3.063747 1.759363 0.000000 4.571565 3.278376 6.578967 4.766702 3.768747 3.051108 3.395933 5.021566 6.266225 3.009321 5.397458 3.769067 6.534074 2.173597 5.373073 4.743285 1.079108 5.989661 2.924070 3.329138 2.261468 3.284663 3.116240 6.076818 5.285634 5.128958 6.451621 7.124495 3.928124 2.854831 7.545675 6.658268 5.917568 5.908019 6.202749 4.451109 4.002098 0.000000 4.061625 6.171262 5.178211 5.498537 6.373463 6.423534 8.104026 6.342030 7.473853 7.048767 5.035398 5.940297 8.812676 6.337933 2.744753 2.162380 6.140441 1.098147 5.872213 7.753351 5.811618 5.838808 7.036290 2.122286 3.237235 6.752706 7.366994 7.623753 7.748783 7.742083 9.621407 9.120496 8.916769 2.575670 3.143592 3.070539 2.520806 6.494506 0.000000 4.071235 5.714369 5.222433 6.298967 6.643610 7.181104 8.942580 6.407246 7.643587 7.120777 5.087434 6.559225 8.931911 6.252736 2.739037 2.161822 6.180991 1.098270 6.824758 8.478031 5.541812 5.247008 7.999570 2.121937 3.230332 6.545368 7.775267 7.656314 7.640204 7.956998 9.793335 9.037005 9.148226 3.108624 2.590393 2.524591 3.071384 6.782184 1.743171 0.000000 3.973217 5.074837 5.507227 2.910179 3.798316 2.156150 3.321841 4.841728 5.805126 4.314262 4.661218 2.756391 6.597084 4.128000 4.330473 3.974393 3.703813 4.927709 1.077110 3.242033 4.545309 5.264138 2.241516 5.323228 5.077114 5.548180 5.466503 6.607618 5.375187 4.346725 7.409772 7.161373 6.119703 4.225445 5.416587 4.485013 2.936226 3.277536 4.851909 5.911689 0.000000 5.587266 5.403136 6.465258 3.809825 3.122874 2.149188 2.138163 4.433677 4.695770 3.090040 5.498880 2.864240 4.409551 4.119678 6.802919 7.000434 4.444876 8.386927 3.247890 1.078308 5.872858 6.296491 3.205375 8.986304 8.588464 4.945562 4.533467 5.787288 3.726362 2.252905 5.043687 4.975658 3.408655 6.914127 7.654503 7.092449 6.264022 3.984225 8.517676 9.138409 4.221678 0.000000 5.001782 3.279560 7.232328 6.480314 5.489811 5.431462 6.078804 6.263746 7.749843 4.742986 6.168903 5.717606 8.236185 3.290533 5.287068 4.178416 2.259482 5.044346 5.088600 6.011300 1.078819 2.176515 5.502205 4.702764 3.668441 6.079709 8.117628 8.345361 5.364278 5.058916 9.318214 8.128341 7.885934 6.100910 5.822351 3.441874 3.868650 2.748788 5.891863 5.630809 4.905253 6.639927 0.000000 4.184357 2.083359 6.058112 6.572220 5.176170 6.242061 7.520437 5.323658 6.798721 4.504637 5.146486 5.899454 7.322269 3.206266 4.550477 3.983263 3.307095 4.979439 6.393824 6.979611 2.242835 1.077699 7.170163 5.191875 4.719763 4.761066 7.449753 7.094978 4.644888 5.271512 8.392041 6.947907 7.306401 5.612466 4.603797 2.925820 4.312418 4.339414 5.971585 5.074653 6.162526 7.319850 2.742535 0.000000 6.485204 6.607099 8.055390 5.080895 5.502959 3.243509 2.158594 6.866512 7.675044 5.503783 7.106740 4.588444 8.029537 5.381566 7.001319 6.440008 4.596224 7.313169 2.196382 3.176418 5.603368 6.690638 1.078232 7.305424 6.671619 7.468245 7.327556 8.648458 6.554132 4.986506 8.780493 8.587170 7.241423 6.981094 8.066656 6.720421 5.363523 3.617491 7.311067 8.352444 2.760169 4.192491 5.723676 7.701519 0.000000 5.882315 7.019734 7.374065 7.574024 8.081345 7.957031 9.271149 8.226025 9.536082 8.387559 7.061324 7.756049 10.748109 7.320316 4.706942 3.526131 6.777651 2.193915 7.189514 9.156758 6.016737 6.210341 8.102708 1.088971 2.087061 8.437827 9.553110 9.736009 9.094567 9.018679 11.656541 10.921175 10.765418 4.909211 4.928877 3.830049 3.830613 7.121608 2.492685 2.500611 6.208819 10.005895 5.667898 6.134969 8.130680 0.000000 6.275473 6.401274 8.243013 7.805598 7.902437 7.478635 8.333825 8.400150 9.841392 7.821018 7.590119 7.638866 10.806852 6.546272 5.554539 4.055668 5.646615 3.514915 6.595489 8.444674 4.745995 5.330637 7.198061 2.107940 1.085365 8.509679 9.938147 10.247576 8.587218 8.266058 11.809151 10.910785 10.621480 5.997763 5.994058 3.937710 3.954598 5.855265 4.123728 4.118831 5.811541 9.334660 4.047648 5.388292 7.066835 2.412417 0.000000 4.615132 4.629940 6.721192 6.208280 6.091715 5.839292 6.881319 6.624247 8.088065 5.982701 5.938819 5.925268 8.994396 4.723787 4.160436 2.665687 3.909192 2.834017 5.136559 6.828617 3.098985 3.680639 5.870284 2.125604 1.085499 6.717921 8.237432 8.541826 6.746626 6.468649 10.011548 9.085076 8.798994 4.744797 4.727143 2.407110 2.440787 4.234543 3.604787 3.591464 4.429374 7.652714 2.660364 3.936984 5.961228 3.074601 1.846054 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2598693 0.1879951 0.1530454 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= 1.46D-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= 703 702 703 703 703 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28301099596 -1165.28301100 1 1.160423324957e+03 -7.432532799474e+03 2.748693415012e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245690984 LenY= 4245181902 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. PT1592.800S Mon Jan 10 23:04:38 2022 GINC-CIBELES2-332 PAULAPLA 10-Jan-2022 0 Wavefunction pefurazoateCONF1003 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.283011 RMSD=4.662e-09 Dipole=-1.5922605,-0.7787472,1.7241155 Quadrupole=-0.0250537,12.6043255,-12.5792718,-15.6168924,-3.3942015,-4.4844195 PG=C01 [X(C18H23N3O4)] 0 -0.8735922653 -1.0459294068 -1.0611877508 0 -1.9273790428 -0.3250494005 1.8082623385 0 -1.7053131679 -0.6038998988 -3.1050748981 0 0.9559293864 1.0627140157 -2.0078623067 0 -0.6441483198 1.5713402268 -0.4696643676 0 1.6569043532 1.8664345234 0.0228632927 0 2.9609024113 3.0628341796 1.3608529828 0 -1.699528475 1.1422897483 -1.4106790535 0 -1.983567111 2.1879705323 -2.4927382828 0 -1.0277993318 1.785745168 0.951688642 0 -1.4123707412 -0.2513790099 -1.9785411286 0 0.6280665031 1.4789862135 -0.9008042031 0 -2.4799406989 3.5081585142 -1.9022144015 0 -0.8785075908 0.5697327537 1.7946936397 0 -0.4775080066 -2.391691868 -1.4556464528 0 0.2379941555 -2.9897557236 -0.26210751 0 0.1350448627 0.0984497851 2.5694184133 0 0.7375330629 -4.4030493213 -0.5572892695 0 2.7265511246 1.0495691897 0.3602002684 0 1.8551789122 3.0697063432 0.6517220715 0 -0.2996972997 -1.163447137 3.0975970032 0 -1.5482307385 -1.3741258193 2.6078483763 0 3.5055617617 1.7980904368 1.1923131921 0 1.4550229045 -5.0797553957 0.5782132266 0 1.6800266643 -4.5770682454 1.7930738817 0 -2.6028901077 1.0110709718 -0.8092771344 0 -1.0797664441 2.3466848769 -3.0856633809 0 -2.7387405277 1.7712326008 -3.1626639951 0 -2.0634965786 2.1217776375 0.9474641537 0 -0.4373818558 2.590196712 1.3770600709 0 -2.6854079563 4.2275958996 -2.6988076999 0 -3.4029711783 3.361648804 -1.3328369938 0 -1.7389865651 3.9544716632 -1.2336473922 0 0.172275362 -2.3146416938 -2.3302017768 0 -1.3743434366 -2.9535631318 -1.7258722961 0 -0.4455092379 -3.0005560502 0.5911794868 0 1.0766852546 -2.3396655358 0.006794358 0 1.0817221664 0.5896798875 2.7336419072 0 1.4077347498 -4.3863625078 -1.4270466255 0 -0.1055646644 -5.0389481729 -0.8589774228 0 2.7994180702 0.0380492541 -0.0026811218 0 1.1822410383 3.9022326053 0.5220946382 0 0.2486579028 -1.8244112029 3.7505004435 0 -2.2701287925 -2.1663027118 2.7207818756 0 4.4199900206 1.5049477709 1.6826941749 0 1.8165324448 -6.0821159809 0.3536221392 0 2.2115743949 -5.1524219377 2.544367278 0 1.3465938568 -3.5868752841 2.0874332873 Gaussian 16 10-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/water/CONF1003/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 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 CONF1003 water 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 2358.1763050763 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 -0.0584621323 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.140681 0.000000 2.250472 4.926251 0.000000 2.947833 4.980177 3.326212 0.000000 2.693073 3.229849 3.578146 2.277060 0.000000 4.007548 4.564793 5.214504 2.293726 2.371604 0.000000 6.119769 5.964329 7.427181 4.400982 4.309494 2.218558 0.000000 2.364872 3.544938 2.433144 2.722943 1.477640 3.720896 5.752347 0.000000 3.706682 4.981670 2.871745 3.184642 2.503418 4.436741 6.329560 1.531332 0.000000 3.477619 2.449166 4.756759 3.635505 1.487751 2.841982 4.208101 2.538904 3.597131 0.000000 1.327829 3.822374 1.216209 2.708606 2.487806 4.232163 6.423479 1.532070 2.557556 3.589431 0.000000 2.942091 4.138102 3.826472 1.227336 1.346455 1.435892 3.614663 2.406457 3.139672 2.503542 2.884279 0.000000 4.901775 5.363436 4.353843 4.218597 3.028795 4.849193 6.359929 2.539288 1.529052 3.635957 3.908920 3.844486 0.000000 3.281226 1.378750 5.105757 4.250602 2.487058 3.353973 4.598352 3.358022 4.714013 1.487156 3.898273 3.219040 4.986588 0.000000 1.457243 4.126286 2.724761 3.780556 4.087243 4.987319 7.036135 3.739570 4.931235 4.852738 2.393392 4.063532 6.246390 4.415376 0.000000 2.377523 4.009480 4.189417 4.470526 4.650253 5.067257 6.832428 4.706061 6.059694 5.087332 3.628850 4.530976 7.231875 4.259926 1.514648 0.000000 3.938052 2.238817 6.006670 4.749227 3.465916 3.453516 4.270091 4.505157 5.871971 2.610790 4.816722 3.767147 6.201594 1.359998 4.772544 4.191080 0.000000 3.757645 5.415503 5.185773 5.659190 6.132703 6.363038 8.022597 6.117052 7.388633 6.610188 4.886554 5.893075 8.645702 5.733408 2.515736 1.527766 5.513872 0.000000 4.401419 5.064141 5.863746 2.956856 3.510347 1.387519 2.260412 4.768101 5.623205 3.871300 4.928778 2.485592 6.186335 3.909535 5.040394 4.785011 3.535700 5.876141 0.000000 5.226730 5.212456 6.347126 3.451095 3.122378 1.372093 1.313597 4.539205 5.039946 3.170189 5.350212 2.539002 5.050554 3.876763 6.301532 6.337780 3.932529 7.651988 2.219286 0.000000 4.199840 2.239340 6.384512 5.709475 4.508111 4.739458 5.613310 5.253618 6.731959 3.719246 5.276087 4.881640 7.181607 2.244213 4.719346 3.861623 1.435394 4.992901 4.642086 5.342788 0.000000 3.744953 1.372462 5.766751 5.789110 4.354793 5.239873 6.447782 4.743817 6.236508 3.605343 4.723768 5.018681 6.711591 2.210958 4.323642 3.746666 2.236822 4.941375 5.403701 5.929357 1.357599 0.000000 5.687153 5.865489 7.168704 4.157226 4.475900 2.188565 1.387313 5.856501 6.622850 4.539759 6.200057 3.572527 6.951739 4.592580 6.358523 5.976270 4.018156 7.012648 1.363654 2.152443 5.184670 6.132497 0.000000 4.937797 5.963295 6.602092 6.683323 7.052775 6.971279 8.317570 7.254015 8.606654 7.310198 6.170264 6.774101 9.766715 6.232327 3.885479 2.560351 5.702723 1.504024 6.263620 8.159611 4.976325 5.183690 7.203235 0.000000 5.209292 5.576134 7.158104 6.839487 6.951597 6.682283 7.758580 7.375397 8.806580 6.966035 6.519171 6.711140 9.814855 5.747666 4.470460 2.970318 4.984992 2.538264 5.899779 7.733468 4.156188 4.619994 6.658539 1.333869 0.000000 2.699107 3.015468 2.946941 3.755592 2.065407 4.423794 6.314664 1.093144 2.145389 2.486369 2.092437 3.265946 2.728566 3.154194 4.063722 4.937270 4.443506 6.366681 5.456382 5.123171 5.029602 4.298630 6.476029 7.449158 7.506191 0.000000 3.956114 5.639780 3.016229 2.637100 2.763037 4.169286 6.050734 2.154123 1.092523 4.076465 2.843639 2.905719 2.170267 5.197687 5.046968 6.179527 6.205665 7.433315 5.295709 4.806736 7.152779 6.817622 6.295020 8.660321 8.908249 3.047245 0.000000 3.978867 5.455531 2.590858 3.935245 3.417531 5.429396 7.390289 2.131896 1.092135 4.455943 2.693021 4.066547 2.161625 5.429499 5.035576 6.319904 6.626735 7.549451 6.542231 6.110620 7.331585 6.679027 7.613006 8.861030 9.186172 2.476839 1.757632 0.000000 3.935089 2.597396 4.897008 4.355744 2.079852 3.842066 5.128456 2.579285 3.441767 1.088855 3.823264 3.327730 3.196271 2.128577 5.353663 5.734780 3.399732 7.258334 4.943588 4.042530 4.304272 3.904320 5.583828 8.023615 7.720334 2.147267 4.157454 4.179951 0.000000 4.399630 3.302225 5.647959 3.966386 2.119248 2.596866 3.431033 3.385401 4.186623 1.084747 4.503911 2.749297 3.970937 2.109807 5.731060 5.854816 2.821027 7.350348 3.663060 2.451913 4.131470 4.297055 4.025962 7.940247 7.485063 3.458776 4.515291 5.155196 1.745915 0.000000 5.811587 6.450959 4.946614 4.873728 4.023868 5.642540 7.051123 3.485735 2.166822 4.694297 4.711754 4.665489 1.092871 6.069300 7.087682 8.159286 7.263540 9.528413 6.981883 5.760528 8.267604 7.799555 7.705286 10.700879 10.805375 3.731376 2.503112 2.500346 4.256353 4.934308 0.000000 5.089037 5.063163 4.663523 4.974010 3.400202 5.447562 6.916946 2.798809 2.176603 3.652940 4.175332 4.469937 1.094368 4.893788 6.455567 7.398880 6.196259 8.833787 6.766323 5.627775 7.052343 6.434021 7.519902 9.925196 9.931335 2.537609 3.082180 2.513741 2.920830 4.090648 1.769361 0.000000 5.077663 5.253856 4.927690 4.027933 2.731603 4.179808 5.442004 2.818025 2.183038 3.159882 4.283775 3.441185 1.093248 4.622524 6.474133 7.285234 5.730987 8.742927 5.560561 4.153968 6.857428 6.571714 6.167702 9.752015 9.676666 3.096777 2.539589 3.080121 2.867285 3.220437 1.765504 1.769215 0.000000 2.076985 5.049150 2.655636 3.482032 4.385089 5.022194 7.093488 4.037270 4.994756 5.387407 2.625228 4.079526 6.412677 5.141840 1.092246 2.176491 5.461746 2.797174 5.008044 6.380849 5.568573 5.313102 6.358732 4.213095 4.938956 4.590765 4.885314 5.085408 5.951772 6.178423 7.148643 6.782138 6.645084 0.000000 2.081255 4.439036 2.744569 4.651900 4.752472 5.956418 8.032389 4.120813 5.233986 5.454399 2.714238 4.933343 6.557994 5.005382 1.092261 2.177969 5.481109 2.815425 6.098697 7.236197 5.255971 4.615842 7.409959 4.223129 4.934362 4.250623 5.479821 5.123441 5.777607 6.421788 7.364410 6.644675 6.935142 1.779175 0.000000 2.595022 3.291742 4.581851 5.022869 4.697561 5.332047 6.997195 4.768980 6.228722 4.835050 3.885391 4.841991 7.260805 3.792479 2.135705 1.093340 3.722138 2.164615 5.149644 6.491912 3.111006 2.815710 6.244945 2.816959 2.906517 4.765367 6.520310 6.490009 5.383598 5.645723 8.251505 7.275031 7.305853 3.063757 2.496732 0.000000 2.572532 4.040837 4.520634 3.955959 4.299331 4.245962 5.879690 4.673393 6.009351 4.726594 3.807610 3.950582 7.105698 3.934966 2.134703 1.094682 3.660346 2.165818 3.786009 5.503025 3.582036 3.819415 4.942259 2.824491 2.925882 5.043083 6.014604 6.442237 5.536251 5.336063 8.037571 7.373393 7.005917 2.506020 3.063747 1.759363 0.000000 4.571565 3.278376 6.578967 4.766702 3.768747 3.051108 3.395933 5.021566 6.266225 3.009321 5.397458 3.769067 6.534074 2.173597 5.373073 4.743285 1.079108 5.989661 2.924070 3.329138 2.261468 3.284663 3.116240 6.076818 5.285634 5.128958 6.451621 7.124495 3.928124 2.854831 7.545675 6.658268 5.917568 5.908019 6.202749 4.451109 4.002098 0.000000 4.061625 6.171262 5.178211 5.498537 6.373463 6.423534 8.104026 6.342030 7.473853 7.048767 5.035398 5.940297 8.812676 6.337933 2.744753 2.162380 6.140441 1.098147 5.872213 7.753351 5.811618 5.838808 7.036290 2.122286 3.237235 6.752706 7.366994 7.623753 7.748783 7.742083 9.621407 9.120496 8.916769 2.575670 3.143592 3.070539 2.520806 6.494506 0.000000 4.071235 5.714369 5.222433 6.298967 6.643610 7.181104 8.942580 6.407246 7.643587 7.120777 5.087434 6.559225 8.931911 6.252736 2.739037 2.161822 6.180991 1.098270 6.824758 8.478031 5.541812 5.247008 7.999570 2.121937 3.230332 6.545368 7.775267 7.656314 7.640204 7.956998 9.793335 9.037005 9.148226 3.108624 2.590393 2.524591 3.071384 6.782184 1.743171 0.000000 3.973217 5.074837 5.507227 2.910179 3.798316 2.156150 3.321841 4.841728 5.805126 4.314262 4.661218 2.756391 6.597084 4.128000 4.330473 3.974393 3.703813 4.927709 1.077110 3.242033 4.545309 5.264138 2.241516 5.323228 5.077114 5.548180 5.466503 6.607618 5.375187 4.346725 7.409772 7.161373 6.119703 4.225445 5.416587 4.485013 2.936226 3.277536 4.851909 5.911689 0.000000 5.587266 5.403136 6.465258 3.809825 3.122874 2.149188 2.138163 4.433677 4.695770 3.090040 5.498880 2.864240 4.409551 4.119678 6.802919 7.000434 4.444876 8.386927 3.247890 1.078308 5.872858 6.296491 3.205375 8.986304 8.588464 4.945562 4.533467 5.787288 3.726362 2.252905 5.043687 4.975658 3.408655 6.914127 7.654503 7.092449 6.264022 3.984225 8.517676 9.138409 4.221678 0.000000 5.001782 3.279560 7.232328 6.480314 5.489811 5.431462 6.078804 6.263746 7.749843 4.742986 6.168903 5.717606 8.236185 3.290533 5.287068 4.178416 2.259482 5.044346 5.088600 6.011300 1.078819 2.176515 5.502205 4.702764 3.668441 6.079709 8.117628 8.345361 5.364278 5.058916 9.318214 8.128341 7.885934 6.100910 5.822351 3.441874 3.868650 2.748788 5.891863 5.630809 4.905253 6.639927 0.000000 4.184357 2.083359 6.058112 6.572220 5.176170 6.242061 7.520437 5.323658 6.798721 4.504637 5.146486 5.899454 7.322269 3.206266 4.550477 3.983263 3.307095 4.979439 6.393824 6.979611 2.242835 1.077699 7.170163 5.191875 4.719763 4.761066 7.449753 7.094978 4.644888 5.271512 8.392041 6.947907 7.306401 5.612466 4.603797 2.925820 4.312418 4.339414 5.971585 5.074653 6.162526 7.319850 2.742535 0.000000 6.485204 6.607099 8.055390 5.080895 5.502959 3.243509 2.158594 6.866512 7.675044 5.503783 7.106740 4.588444 8.029537 5.381566 7.001319 6.440008 4.596224 7.313169 2.196382 3.176418 5.603368 6.690638 1.078232 7.305424 6.671619 7.468245 7.327556 8.648458 6.554132 4.986506 8.780493 8.587170 7.241423 6.981094 8.066656 6.720421 5.363523 3.617491 7.311067 8.352444 2.760169 4.192491 5.723676 7.701519 0.000000 5.882315 7.019734 7.374065 7.574024 8.081345 7.957031 9.271149 8.226025 9.536082 8.387559 7.061324 7.756049 10.748109 7.320316 4.706942 3.526131 6.777651 2.193915 7.189514 9.156758 6.016737 6.210341 8.102708 1.088971 2.087061 8.437827 9.553110 9.736009 9.094567 9.018679 11.656541 10.921175 10.765418 4.909211 4.928877 3.830049 3.830613 7.121608 2.492685 2.500611 6.208819 10.005895 5.667898 6.134969 8.130680 0.000000 6.275473 6.401274 8.243013 7.805598 7.902437 7.478635 8.333825 8.400150 9.841392 7.821018 7.590119 7.638866 10.806852 6.546272 5.554539 4.055668 5.646615 3.514915 6.595489 8.444674 4.745995 5.330637 7.198061 2.107940 1.085365 8.509679 9.938147 10.247576 8.587218 8.266058 11.809151 10.910785 10.621480 5.997763 5.994058 3.937710 3.954598 5.855265 4.123728 4.118831 5.811541 9.334660 4.047648 5.388292 7.066835 2.412417 0.000000 4.615132 4.629940 6.721192 6.208280 6.091715 5.839292 6.881319 6.624247 8.088065 5.982701 5.938819 5.925268 8.994396 4.723787 4.160436 2.665687 3.909192 2.834017 5.136559 6.828617 3.098985 3.680639 5.870284 2.125604 1.085499 6.717921 8.237432 8.541826 6.746626 6.468649 10.011548 9.085076 8.798994 4.744797 4.727143 2.407110 2.440787 4.234543 3.604787 3.591464 4.429374 7.652714 2.660364 3.936984 5.961228 3.074601 1.846054 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2598693 0.1879951 0.1530454 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= 1.46D-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= 703 702 703 703 703 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28301099596 -1165.28301099575 0.000000000208 -1165.28301100 2 1.160423322528e+03 -7.432532799093e+03 2.748693417059e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245690984 LenY= 4245181902 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.8548 255.39 0.0279 0.000 92 93 0.70130 -1165.10460198 2 Singlet-A 5.1093 242.66 0.0194 0.000 91 93 0.69213 3 Singlet-A 5.4141 229.00 0.0455 0.000 92 94 0.63601 92 95 0.28411 4 Singlet-A 5.6606 219.03 0.1243 0.000 87 93 -0.17124 88 93 0.19672 89 93 0.29338 91 94 0.11425 92 94 -0.16912 92 95 0.49608 5 Singlet-A 5.7055 217.31 0.0271 0.000 83 93 0.15824 87 93 -0.39082 88 93 0.41044 92 94 0.12408 92 95 -0.30537 6 Singlet-A 5.7130 217.02 0.0223 0.000 85 93 0.11512 85 94 0.13000 85 95 0.17631 87 93 0.12887 88 93 -0.10795 89 93 0.30063 89 94 0.28402 89 95 0.31706 91 94 0.19742 92 94 0.14810 92 95 -0.20139 7 Singlet-A 5.7638 215.11 0.0570 0.000 89 93 -0.16822 91 94 0.65127 91 95 -0.12683 8 Singlet-A 5.8182 213.10 0.0006 0.000 90 93 0.70335 9 Singlet-A 5.8865 210.62 0.0063 0.000 92 97 0.63484 92 100 0.18758 92 101 0.10405 10 Singlet-A 5.9526 208.29 0.0240 0.000 89 93 -0.21875 89 95 0.11063 91 95 0.23172 92 96 0.57475 92 97 0.12122 92 98 0.10159 PT60282.400S Mon Jan 10 23:46:44 2022 GINC-CIBELES2-332 PAULAPLA 10-Jan-2022 0 Electronic spectrum pefurazoate CONF1003 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.283011 RMSD=2.907e-09 PG=C01 [X(C18H23N3O4)] 0 -0.8735922653 -1.0459294068 -1.0611877508 0 -1.9273790428 -0.3250494005 1.8082623385 0 -1.7053131679 -0.6038998988 -3.1050748981 0 0.9559293864 1.0627140157 -2.0078623067 0 -0.6441483198 1.5713402268 -0.4696643676 0 1.6569043532 1.8664345234 0.0228632927 0 2.9609024113 3.0628341796 1.3608529828 0 -1.699528475 1.1422897483 -1.4106790535 0 -1.983567111 2.1879705323 -2.4927382828 0 -1.0277993318 1.785745168 0.951688642 0 -1.4123707412 -0.2513790099 -1.9785411286 0 0.6280665031 1.4789862135 -0.9008042031 0 -2.4799406989 3.5081585142 -1.9022144015 0 -0.8785075908 0.5697327537 1.7946936397 0 -0.4775080066 -2.391691868 -1.4556464528 0 0.2379941555 -2.9897557236 -0.26210751 0 0.1350448627 0.0984497851 2.5694184133 0 0.7375330629 -4.4030493213 -0.5572892695 0 2.7265511246 1.0495691897 0.3602002684 0 1.8551789122 3.0697063432 0.6517220715 0 -0.2996972997 -1.163447137 3.0975970032 0 -1.5482307385 -1.3741258193 2.6078483763 0 3.5055617617 1.7980904368 1.1923131921 0 1.4550229045 -5.0797553957 0.5782132266 0 1.6800266643 -4.5770682454 1.7930738817 0 -2.6028901077 1.0110709718 -0.8092771344 0 -1.0797664441 2.3466848769 -3.0856633809 0 -2.7387405277 1.7712326008 -3.1626639951 0 -2.0634965786 2.1217776375 0.9474641537 0 -0.4373818558 2.590196712 1.3770600709 0 -2.6854079563 4.2275958996 -2.6988076999 0 -3.4029711783 3.361648804 -1.3328369938 0 -1.7389865651 3.9544716632 -1.2336473922 0 0.172275362 -2.3146416938 -2.3302017768 0 -1.3743434366 -2.9535631318 -1.7258722961 0 -0.4455092379 -3.0005560502 0.5911794868 0 1.0766852546 -2.3396655358 0.006794358 0 1.0817221664 0.5896798875 2.7336419072 0 1.4077347498 -4.3863625078 -1.4270466255 0 -0.1055646644 -5.0389481729 -0.8589774228 0 2.7994180702 0.0380492541 -0.0026811218 0 1.1822410383 3.9022326053 0.5220946382 0 0.2486579028 -1.8244112029 3.7505004435 0 -2.2701287925 -2.1663027118 2.7207818756 0 4.4199900206 1.5049477709 1.6826941749 0 1.8165324448 -6.0821159809 0.3536221392 0 2.2115743949 -5.1524219377 2.544367278 0 1.3465938568 -3.5868752841 2.0874332873 Gaussian 16 10-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/water/CONF1003/op #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point pefurazoate CONF1003 water 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 2358.1763050763 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 -0.0584621323 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 3.140681 0.000000 2.250472 4.926251 0.000000 2.947833 4.980177 3.326212 0.000000 2.693073 3.229849 3.578146 2.277060 0.000000 4.007548 4.564793 5.214504 2.293726 2.371604 0.000000 6.119769 5.964329 7.427181 4.400982 4.309494 2.218558 0.000000 2.364872 3.544938 2.433144 2.722943 1.477640 3.720896 5.752347 0.000000 3.706682 4.981670 2.871745 3.184642 2.503418 4.436741 6.329560 1.531332 0.000000 3.477619 2.449166 4.756759 3.635505 1.487751 2.841982 4.208101 2.538904 3.597131 0.000000 1.327829 3.822374 1.216209 2.708606 2.487806 4.232163 6.423479 1.532070 2.557556 3.589431 0.000000 2.942091 4.138102 3.826472 1.227336 1.346455 1.435892 3.614663 2.406457 3.139672 2.503542 2.884279 0.000000 4.901775 5.363436 4.353843 4.218597 3.028795 4.849193 6.359929 2.539288 1.529052 3.635957 3.908920 3.844486 0.000000 3.281226 1.378750 5.105757 4.250602 2.487058 3.353973 4.598352 3.358022 4.714013 1.487156 3.898273 3.219040 4.986588 0.000000 1.457243 4.126286 2.724761 3.780556 4.087243 4.987319 7.036135 3.739570 4.931235 4.852738 2.393392 4.063532 6.246390 4.415376 0.000000 2.377523 4.009480 4.189417 4.470526 4.650253 5.067257 6.832428 4.706061 6.059694 5.087332 3.628850 4.530976 7.231875 4.259926 1.514648 0.000000 3.938052 2.238817 6.006670 4.749227 3.465916 3.453516 4.270091 4.505157 5.871971 2.610790 4.816722 3.767147 6.201594 1.359998 4.772544 4.191080 0.000000 3.757645 5.415503 5.185773 5.659190 6.132703 6.363038 8.022597 6.117052 7.388633 6.610188 4.886554 5.893075 8.645702 5.733408 2.515736 1.527766 5.513872 0.000000 4.401419 5.064141 5.863746 2.956856 3.510347 1.387519 2.260412 4.768101 5.623205 3.871300 4.928778 2.485592 6.186335 3.909535 5.040394 4.785011 3.535700 5.876141 0.000000 5.226730 5.212456 6.347126 3.451095 3.122378 1.372093 1.313597 4.539205 5.039946 3.170189 5.350212 2.539002 5.050554 3.876763 6.301532 6.337780 3.932529 7.651988 2.219286 0.000000 4.199840 2.239340 6.384512 5.709475 4.508111 4.739458 5.613310 5.253618 6.731959 3.719246 5.276087 4.881640 7.181607 2.244213 4.719346 3.861623 1.435394 4.992901 4.642086 5.342788 0.000000 3.744953 1.372462 5.766751 5.789110 4.354793 5.239873 6.447782 4.743817 6.236508 3.605343 4.723768 5.018681 6.711591 2.210958 4.323642 3.746666 2.236822 4.941375 5.403701 5.929357 1.357599 0.000000 5.687153 5.865489 7.168704 4.157226 4.475900 2.188565 1.387313 5.856501 6.622850 4.539759 6.200057 3.572527 6.951739 4.592580 6.358523 5.976270 4.018156 7.012648 1.363654 2.152443 5.184670 6.132497 0.000000 4.937797 5.963295 6.602092 6.683323 7.052775 6.971279 8.317570 7.254015 8.606654 7.310198 6.170264 6.774101 9.766715 6.232327 3.885479 2.560351 5.702723 1.504024 6.263620 8.159611 4.976325 5.183690 7.203235 0.000000 5.209292 5.576134 7.158104 6.839487 6.951597 6.682283 7.758580 7.375397 8.806580 6.966035 6.519171 6.711140 9.814855 5.747666 4.470460 2.970318 4.984992 2.538264 5.899779 7.733468 4.156188 4.619994 6.658539 1.333869 0.000000 2.699107 3.015468 2.946941 3.755592 2.065407 4.423794 6.314664 1.093144 2.145389 2.486369 2.092437 3.265946 2.728566 3.154194 4.063722 4.937270 4.443506 6.366681 5.456382 5.123171 5.029602 4.298630 6.476029 7.449158 7.506191 0.000000 3.956114 5.639780 3.016229 2.637100 2.763037 4.169286 6.050734 2.154123 1.092523 4.076465 2.843639 2.905719 2.170267 5.197687 5.046968 6.179527 6.205665 7.433315 5.295709 4.806736 7.152779 6.817622 6.295020 8.660321 8.908249 3.047245 0.000000 3.978867 5.455531 2.590858 3.935245 3.417531 5.429396 7.390289 2.131896 1.092135 4.455943 2.693021 4.066547 2.161625 5.429499 5.035576 6.319904 6.626735 7.549451 6.542231 6.110620 7.331585 6.679027 7.613006 8.861030 9.186172 2.476839 1.757632 0.000000 3.935089 2.597396 4.897008 4.355744 2.079852 3.842066 5.128456 2.579285 3.441767 1.088855 3.823264 3.327730 3.196271 2.128577 5.353663 5.734780 3.399732 7.258334 4.943588 4.042530 4.304272 3.904320 5.583828 8.023615 7.720334 2.147267 4.157454 4.179951 0.000000 4.399630 3.302225 5.647959 3.966386 2.119248 2.596866 3.431033 3.385401 4.186623 1.084747 4.503911 2.749297 3.970937 2.109807 5.731060 5.854816 2.821027 7.350348 3.663060 2.451913 4.131470 4.297055 4.025962 7.940247 7.485063 3.458776 4.515291 5.155196 1.745915 0.000000 5.811587 6.450959 4.946614 4.873728 4.023868 5.642540 7.051123 3.485735 2.166822 4.694297 4.711754 4.665489 1.092871 6.069300 7.087682 8.159286 7.263540 9.528413 6.981883 5.760528 8.267604 7.799555 7.705286 10.700879 10.805375 3.731376 2.503112 2.500346 4.256353 4.934308 0.000000 5.089037 5.063163 4.663523 4.974010 3.400202 5.447562 6.916946 2.798809 2.176603 3.652940 4.175332 4.469937 1.094368 4.893788 6.455567 7.398880 6.196259 8.833787 6.766323 5.627775 7.052343 6.434021 7.519902 9.925196 9.931335 2.537609 3.082180 2.513741 2.920830 4.090648 1.769361 0.000000 5.077663 5.253856 4.927690 4.027933 2.731603 4.179808 5.442004 2.818025 2.183038 3.159882 4.283775 3.441185 1.093248 4.622524 6.474133 7.285234 5.730987 8.742927 5.560561 4.153968 6.857428 6.571714 6.167702 9.752015 9.676666 3.096777 2.539589 3.080121 2.867285 3.220437 1.765504 1.769215 0.000000 2.076985 5.049150 2.655636 3.482032 4.385089 5.022194 7.093488 4.037270 4.994756 5.387407 2.625228 4.079526 6.412677 5.141840 1.092246 2.176491 5.461746 2.797174 5.008044 6.380849 5.568573 5.313102 6.358732 4.213095 4.938956 4.590765 4.885314 5.085408 5.951772 6.178423 7.148643 6.782138 6.645084 0.000000 2.081255 4.439036 2.744569 4.651900 4.752472 5.956418 8.032389 4.120813 5.233986 5.454399 2.714238 4.933343 6.557994 5.005382 1.092261 2.177969 5.481109 2.815425 6.098697 7.236197 5.255971 4.615842 7.409959 4.223129 4.934362 4.250623 5.479821 5.123441 5.777607 6.421788 7.364410 6.644675 6.935142 1.779175 0.000000 2.595022 3.291742 4.581851 5.022869 4.697561 5.332047 6.997195 4.768980 6.228722 4.835050 3.885391 4.841991 7.260805 3.792479 2.135705 1.093340 3.722138 2.164615 5.149644 6.491912 3.111006 2.815710 6.244945 2.816959 2.906517 4.765367 6.520310 6.490009 5.383598 5.645723 8.251505 7.275031 7.305853 3.063757 2.496732 0.000000 2.572532 4.040837 4.520634 3.955959 4.299331 4.245962 5.879690 4.673393 6.009351 4.726594 3.807610 3.950582 7.105698 3.934966 2.134703 1.094682 3.660346 2.165818 3.786009 5.503025 3.582036 3.819415 4.942259 2.824491 2.925882 5.043083 6.014604 6.442237 5.536251 5.336063 8.037571 7.373393 7.005917 2.506020 3.063747 1.759363 0.000000 4.571565 3.278376 6.578967 4.766702 3.768747 3.051108 3.395933 5.021566 6.266225 3.009321 5.397458 3.769067 6.534074 2.173597 5.373073 4.743285 1.079108 5.989661 2.924070 3.329138 2.261468 3.284663 3.116240 6.076818 5.285634 5.128958 6.451621 7.124495 3.928124 2.854831 7.545675 6.658268 5.917568 5.908019 6.202749 4.451109 4.002098 0.000000 4.061625 6.171262 5.178211 5.498537 6.373463 6.423534 8.104026 6.342030 7.473853 7.048767 5.035398 5.940297 8.812676 6.337933 2.744753 2.162380 6.140441 1.098147 5.872213 7.753351 5.811618 5.838808 7.036290 2.122286 3.237235 6.752706 7.366994 7.623753 7.748783 7.742083 9.621407 9.120496 8.916769 2.575670 3.143592 3.070539 2.520806 6.494506 0.000000 4.071235 5.714369 5.222433 6.298967 6.643610 7.181104 8.942580 6.407246 7.643587 7.120777 5.087434 6.559225 8.931911 6.252736 2.739037 2.161822 6.180991 1.098270 6.824758 8.478031 5.541812 5.247008 7.999570 2.121937 3.230332 6.545368 7.775267 7.656314 7.640204 7.956998 9.793335 9.037005 9.148226 3.108624 2.590393 2.524591 3.071384 6.782184 1.743171 0.000000 3.973217 5.074837 5.507227 2.910179 3.798316 2.156150 3.321841 4.841728 5.805126 4.314262 4.661218 2.756391 6.597084 4.128000 4.330473 3.974393 3.703813 4.927709 1.077110 3.242033 4.545309 5.264138 2.241516 5.323228 5.077114 5.548180 5.466503 6.607618 5.375187 4.346725 7.409772 7.161373 6.119703 4.225445 5.416587 4.485013 2.936226 3.277536 4.851909 5.911689 0.000000 5.587266 5.403136 6.465258 3.809825 3.122874 2.149188 2.138163 4.433677 4.695770 3.090040 5.498880 2.864240 4.409551 4.119678 6.802919 7.000434 4.444876 8.386927 3.247890 1.078308 5.872858 6.296491 3.205375 8.986304 8.588464 4.945562 4.533467 5.787288 3.726362 2.252905 5.043687 4.975658 3.408655 6.914127 7.654503 7.092449 6.264022 3.984225 8.517676 9.138409 4.221678 0.000000 5.001782 3.279560 7.232328 6.480314 5.489811 5.431462 6.078804 6.263746 7.749843 4.742986 6.168903 5.717606 8.236185 3.290533 5.287068 4.178416 2.259482 5.044346 5.088600 6.011300 1.078819 2.176515 5.502205 4.702764 3.668441 6.079709 8.117628 8.345361 5.364278 5.058916 9.318214 8.128341 7.885934 6.100910 5.822351 3.441874 3.868650 2.748788 5.891863 5.630809 4.905253 6.639927 0.000000 4.184357 2.083359 6.058112 6.572220 5.176170 6.242061 7.520437 5.323658 6.798721 4.504637 5.146486 5.899454 7.322269 3.206266 4.550477 3.983263 3.307095 4.979439 6.393824 6.979611 2.242835 1.077699 7.170163 5.191875 4.719763 4.761066 7.449753 7.094978 4.644888 5.271512 8.392041 6.947907 7.306401 5.612466 4.603797 2.925820 4.312418 4.339414 5.971585 5.074653 6.162526 7.319850 2.742535 0.000000 6.485204 6.607099 8.055390 5.080895 5.502959 3.243509 2.158594 6.866512 7.675044 5.503783 7.106740 4.588444 8.029537 5.381566 7.001319 6.440008 4.596224 7.313169 2.196382 3.176418 5.603368 6.690638 1.078232 7.305424 6.671619 7.468245 7.327556 8.648458 6.554132 4.986506 8.780493 8.587170 7.241423 6.981094 8.066656 6.720421 5.363523 3.617491 7.311067 8.352444 2.760169 4.192491 5.723676 7.701519 0.000000 5.882315 7.019734 7.374065 7.574024 8.081345 7.957031 9.271149 8.226025 9.536082 8.387559 7.061324 7.756049 10.748109 7.320316 4.706942 3.526131 6.777651 2.193915 7.189514 9.156758 6.016737 6.210341 8.102708 1.088971 2.087061 8.437827 9.553110 9.736009 9.094567 9.018679 11.656541 10.921175 10.765418 4.909211 4.928877 3.830049 3.830613 7.121608 2.492685 2.500611 6.208819 10.005895 5.667898 6.134969 8.130680 0.000000 6.275473 6.401274 8.243013 7.805598 7.902437 7.478635 8.333825 8.400150 9.841392 7.821018 7.590119 7.638866 10.806852 6.546272 5.554539 4.055668 5.646615 3.514915 6.595489 8.444674 4.745995 5.330637 7.198061 2.107940 1.085365 8.509679 9.938147 10.247576 8.587218 8.266058 11.809151 10.910785 10.621480 5.997763 5.994058 3.937710 3.954598 5.855265 4.123728 4.118831 5.811541 9.334660 4.047648 5.388292 7.066835 2.412417 0.000000 4.615132 4.629940 6.721192 6.208280 6.091715 5.839292 6.881319 6.624247 8.088065 5.982701 5.938819 5.925268 8.994396 4.723787 4.160436 2.665687 3.909192 2.834017 5.136559 6.828617 3.098985 3.680639 5.870284 2.125604 1.085499 6.717921 8.237432 8.541826 6.746626 6.468649 10.011548 9.085076 8.798994 4.744797 4.727143 2.407110 2.440787 4.234543 3.604787 3.591464 4.429374 7.652714 2.660364 3.936984 5.961228 3.074601 1.846054 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2598693 0.1879951 0.1530454 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= 1.10D-06 NBF= 1182 NBsUse= 1181 1.00D-06 EigRej= 9.40D-07 NBFU= 1181 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1296 1296 1296 1296 1296 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28937702940 -1165.36189816546 -0.072521136060 -1165.36193466757 -0.000036502105 -1165.36221833502 -0.000283667454 -1165.36225233586 -0.000034000834 -1165.36225758383 -0.000005247976 -1165.36225792091 -0.000000337075 -1165.36225795456 -0.000000033648 -1165.36225795734 -0.000000002789 -1165.36225795750 -0.000000000151 -1165.36225795768 -0.000000000189 -1165.36225795749 0.000000000190 -1165.36225796 12 1.160072958874e+03 -7.432600318050e+03 2.749032052709e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243140112 LenY= 4241364556 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. PT60206.200S Tue Jan 11 00:28:42 2022 GINC-CIBELES2-332 PAULAPLA 11-Jan-2022 0 Single Point pefurazoate CONF1003 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.362258 RMSD=1.701e-09 Dipole=-1.5937895,-0.7354653,1.7303866 Quadrupole=0.1018025,12.4523564,-12.5541588,-15.3067446,-3.5603331,-4.3530946 PG=C01 [X(C18H23N3O4)] 0 -0.8735922653 -1.0459294068 -1.0611877508 0 -1.9273790428 -0.3250494005 1.8082623385 0 -1.7053131679 -0.6038998988 -3.1050748981 0 0.9559293864 1.0627140157 -2.0078623067 0 -0.6441483198 1.5713402268 -0.4696643676 0 1.6569043532 1.8664345234 0.0228632927 0 2.9609024113 3.0628341796 1.3608529828 0 -1.699528475 1.1422897483 -1.4106790535 0 -1.983567111 2.1879705323 -2.4927382828 0 -1.0277993318 1.785745168 0.951688642 0 -1.4123707412 -0.2513790099 -1.9785411286 0 0.6280665031 1.4789862135 -0.9008042031 0 -2.4799406989 3.5081585142 -1.9022144015 0 -0.8785075908 0.5697327537 1.7946936397 0 -0.4775080066 -2.391691868 -1.4556464528 0 0.2379941555 -2.9897557236 -0.26210751 0 0.1350448627 0.0984497851 2.5694184133 0 0.7375330629 -4.4030493213 -0.5572892695 0 2.7265511246 1.0495691897 0.3602002684 0 1.8551789122 3.0697063432 0.6517220715 0 -0.2996972997 -1.163447137 3.0975970032 0 -1.5482307385 -1.3741258193 2.6078483763 0 3.5055617617 1.7980904368 1.1923131921 0 1.4550229045 -5.0797553957 0.5782132266 0 1.6800266643 -4.5770682454 1.7930738817 0 -2.6028901077 1.0110709718 -0.8092771344 0 -1.0797664441 2.3466848769 -3.0856633809 0 -2.7387405277 1.7712326008 -3.1626639951 0 -2.0634965786 2.1217776375 0.9474641537 0 -0.4373818558 2.590196712 1.3770600709 0 -2.6854079563 4.2275958996 -2.6988076999 0 -3.4029711783 3.361648804 -1.3328369938 0 -1.7389865651 3.9544716632 -1.2336473922 0 0.172275362 -2.3146416938 -2.3302017768 0 -1.3743434366 -2.9535631318 -1.7258722961 0 -0.4455092379 -3.0005560502 0.5911794868 0 1.0766852546 -2.3396655358 0.006794358 0 1.0817221664 0.5896798875 2.7336419072 0 1.4077347498 -4.3863625078 -1.4270466255 0 -0.1055646644 -5.0389481729 -0.8589774228 0 2.7994180702 0.0380492541 -0.0026811218 0 1.1822410383 3.9022326053 0.5220946382 0 0.2486579028 -1.8244112029 3.7505004435 0 -2.2701287925 -2.1663027118 2.7207818756 0 4.4199900206 1.5049477709 1.6826941749 0 1.8165324448 -6.0821159809 0.3536221392 0 2.2115743949 -5.1524219377 2.544367278 0 1.3465938568 -3.5868752841 2.0874332873