Gaussian 16 GINC-ESTREMERA PAULAPLA Optimization pefurazoate CONF9 gas EM64L-G16RevC.01 17-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 92 92 688 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C18H23N3O4)] C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 322.2102999999998 0 1 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-3045814/Gau-2111.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3045814/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF9/opt-b3lyp- #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization pefurazoate CONF9 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.328 1.4309 1.3503 1.3411 1.1988 1.2048 1.4612 1.4658 1.3658 1.4147 1.3771 1.3692 1.2953 1.3701 1.5289 1.5302 1.0931 1.5219 1.0899 1.0911 1.4866 1.0881 1.0943 1.0909 1.0894 1.0919 1.3565 1.5173 1.0903 1.0917 1.5299 1.0951 1.0911 1.4236 1.0777 1.4966 1.0949 1.0927 1.3576 1.0756 1.078 1.3538 1.0772 1.0769 1.0778 1.327 1.0881 1.0819 1.0844 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 48 118.4051 107.8081 117.0709 122.4918 114.742 124.4431 128.3461 106.5956 105.8489 113.2064 112.2592 107.1789 111.9792 106.5053 105.0751 112.3315 111.3011 107.3792 110.6322 109.4974 105.3982 112.9851 107.3595 111.1757 109.0738 109.7793 106.1918 124.6955 111.1331 124.0216 124.4823 119.7625 115.7332 112.7162 110.3694 111.7081 106.9611 107.5871 107.2241 118.0093 109.5818 132.406 112.6848 104.3102 109.8206 110.637 110.7747 108.3537 114.663 106.6448 109.9194 109.2271 110.0164 105.9577 106.4096 126.0456 127.5423 113.2172 107.6141 110.9488 108.9751 109.9264 105.8478 105.3128 122.1147 132.5722 111.608 122.2813 126.0795 105.7667 127.6646 126.5681 110.425 116.6693 132.9055 110.6053 121.5429 127.8514 125.4124 115.7081 118.8728 121.1162 122.4904 116.3841 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 48 1.8804 177.5748 -80.1584 159.7851 43.849 -179.5491 0.9914 -0.8126 179.3452 -55.7242 72.263 -172.8592 96.2516 -135.7613 -20.8835 -53.5338 -173.8323 70.4195 152.3379 32.0394 -83.7088 -144.5907 37.1256 7.9797 -170.3041 33.5558 -148.0739 -136.2192 42.1511 -173.346 6.8129 -1.699 178.4599 172.537 -5.5479 1.3238 -176.7612 -0.3587 177.638 -0.7751 179.4209 -56.3153 68.3675 -176.7562 175.5522 -59.7651 55.1113 61.2143 -174.103 -59.2266 53.2834 -130.9876 -178.0831 -2.3541 -62.8689 112.86 66.5719 -173.9042 -54.7091 -58.4787 61.0452 -179.7597 -174.2192 -54.6953 64.4999 105.8074 -74.8823 -134.879 44.4312 -18.9094 160.4009 -0.7803 179.7652 179.866 0.4115 -56.5245 -177.5547 68.0173 59.8149 -61.2154 -175.6434 179.9964 58.9661 -55.4618 -59.6707 179.8383 64.4759 59.9299 -60.561 -175.9234 175.8388 55.3478 -60.0146 0.2781 179.9928 179.7218 -0.5635 130.5713 -50.384 -109.7139 69.3308 5.8688 -175.0866 1.5569 -178.6546 -178.6259 1.1626 0.3263 -179.8662 -179.3925 0.415 178.9177 0.0599 -0.0993 -178.9571 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2389.7055319806 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= 1.45D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Berny optimization. local minimum Step number 14 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00285 0.00353 0.00426 0.00528 0.00550 0.00708 0.00846 0.00959 0.01134 0.01450 0.01512 0.01761 0.01769 0.01883 0.02114 0.02206 0.02273 0.02277 0.02375 0.02434 0.02476 0.02563 0.02638 0.02648 0.02712 0.02956 0.03051 0.03282 0.03453 0.03592 0.03779 0.04411 0.04562 0.04666 0.04931 0.05001 0.05262 0.05481 0.05563 0.05627 0.05664 0.06256 0.06570 0.06834 0.07301 0.08339 0.08633 0.08994 0.09525 0.10100 0.11730 0.12270 0.12725 0.12952 0.13453 0.14401 0.15202 0.15882 0.15989 0.15998 0.15999 0.16001 0.16004 0.16009 0.16016 0.16042 0.16086 0.16372 0.19683 0.20276 0.21828 0.21950 0.22054 0.22223 0.22284 0.22825 0.23210 0.23405 0.23693 0.24103 0.24586 0.25009 0.25225 0.25371 0.27004 0.29104 0.29356 0.29754 0.30305 0.30389 0.31943 0.32802 0.33251 0.34199 0.34237 0.34340 0.34361 0.34529 0.34554 0.34587 0.34680 0.34729 0.34779 0.34803 0.34842 0.34902 0.35022 0.35038 0.35329 0.35524 0.35788 0.36156 0.36269 0.36306 0.36336 0.36352 0.36383 0.36550 0.37369 0.39875 0.41176 0.44126 0.46908 0.46955 0.47998 0.48515 0.50561 0.52361 0.53837 0.54135 0.55523 0.59245 0.60823 0.62568 0.65465 0.96490 1.01478 1.05810 -1.90188858e-07 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 2.53810 2.74879 2.58995 2.56884 2.27789 2.29508 2.78945 2.80134 2.59329 2.70164 2.62537 2.61555 2.46884 2.61780 2.90221 2.90514 2.06154 2.89135 2.06184 2.06446 2.81380 2.05598 2.06680 2.06622 2.06408 2.06869 2.57382 2.87821 2.05994 2.06160 2.91064 2.07296 2.06444 2.70524 2.03801 2.84283 2.07331 2.06776 2.57814 2.03314 2.03603 2.56995 2.03766 2.03440 2.03802 2.51677 2.06102 2.05035 2.05279 2.04866 1.87402 2.05286 2.14848 2.00283 2.16301 2.24751 1.85894 1.84743 1.97147 1.96011 1.86251 1.95045 1.87897 1.83044 1.95751 1.91879 1.86850 1.94193 1.92769 1.84469 1.97613 1.85836 1.93010 1.92063 1.90830 1.86675 2.17336 1.93766 2.17003 2.17136 2.08914 2.02219 1.95404 1.93013 1.94238 1.87752 1.87656 1.88005 2.04321 1.91121 2.32875 1.95024 1.80861 1.89139 1.94594 1.94513 1.91725 1.99137 1.86865 1.90071 1.91390 1.92054 1.86380 1.86200 2.19427 2.22676 1.97999 1.87981 1.92170 1.90344 1.91706 1.85737 1.84171 2.11327 2.32815 1.94580 2.12299 2.21414 1.85180 2.22599 2.20539 1.92567 2.02588 2.33164 1.93038 2.11857 2.23423 2.18834 2.01556 2.07925 2.11284 2.13311 2.03702 0.04017 3.11400 -1.39223 2.79361 0.75757 -3.12440 0.01268 -0.00957 3.12791 -0.94641 1.27894 -3.00778 1.75622 -2.30161 -0.30515 -0.91815 -3.03094 1.23032 2.62631 0.51352 -1.50840 -2.57041 0.60511 0.14360 -2.96406 0.55495 -2.61886 -2.38483 0.72454 -3.00774 0.12447 -0.02987 3.10234 2.99104 -0.12786 0.02379 -3.09511 -0.00724 3.11021 -0.01266 3.13282 -1.01276 1.15759 -3.12986 3.04001 -1.07282 0.92292 1.03896 -3.07387 -1.07813 0.90577 -2.30343 -3.14094 -0.06695 -1.11020 1.96379 1.09057 -3.09912 -1.01014 -1.06689 1.02661 3.11560 -3.10990 -1.01641 1.07258 1.79295 -1.34279 -2.41298 0.73446 -0.36751 2.77994 -0.01080 -3.13438 3.12526 0.00168 -0.99574 -3.11667 1.15733 1.01911 -1.10182 -3.11100 -3.11475 1.04751 -0.96167 -1.08370 3.09110 1.07268 1.01204 -1.09635 -3.11478 3.05719 0.94881 -1.06962 0.00482 -3.14026 3.12797 -0.01712 2.24818 -0.90219 -1.93999 1.19282 0.08927 -3.06110 0.02679 -3.11901 -3.10374 0.03365 0.00294 -3.13355 -3.13521 0.01148 3.12645 0.00750 -0.00607 -3.12503 -0.00002 -0.00001 0.00001 -0.00001 -0.00004 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00003 -0.00003 -0.00003 -0.00004 -0.00003 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00001 0.00001 0.00002 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00000 -0.00001 0.00000 -0.00003 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00003 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00002 0.00001 -0.00002 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00002 0.00001 0.00002 -0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00003 -0.00002 0.00003 0.00005 0.00002 -0.00000 -0.00006 0.00002 0.00009 0.00004 0.00006 0.00008 0.00005 0.00009 0.00006 -0.00003 0.00000 -0.00000 -0.00002 -0.00002 -0.00001 0.00002 0.00001 0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00004 0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00003 -0.00000 -0.00000 -0.00001 -0.00001 0.00003 -0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00002 -0.00000 0.00002 0.00000 -0.00011 0.00023 0.00005 -0.00001 -0.00003 -0.00000 0.00002 0.00000 -0.00004 0.00002 0.00002 0.00008 -0.00008 -0.00004 -0.00009 0.00007 0.00003 0.00004 0.00000 -0.00002 0.00003 -0.00003 0.00015 -0.00013 0.00002 -0.00003 0.00005 -0.00003 -0.00003 -0.00008 0.00011 0.00000 0.00001 -0.00007 0.00005 -0.00002 0.00003 -0.00003 0.00001 0.00002 -0.00004 -0.00006 0.00007 0.00006 -0.00005 0.00002 -0.00006 -0.00002 0.00002 -0.00001 -0.00004 0.00012 -0.00001 -0.00001 0.00002 -0.00004 -0.00002 0.00001 -0.00001 -0.00000 0.00007 0.00003 -0.00002 -0.00002 -0.00003 0.00002 0.00002 0.00001 0.00001 -0.00002 -0.00002 0.00005 -0.00003 -0.00002 0.00004 -0.00002 0.00007 -0.00006 -0.00001 -0.00007 0.00013 -0.00005 -0.00019 -0.00035 0.00012 0.00010 0.00008 0.00014 0.00007 -0.00016 -0.00001 0.00015 0.00015 0.00004 0.00057 0.00057 0.00046 0.00016 -0.00003 -0.00005 -0.00027 -0.00046 -0.00048 -0.00058 -0.00063 -0.00021 -0.00026 0.00040 0.00045 0.00081 0.00086 0.00021 0.00031 -0.00012 -0.00002 -0.00025 -0.00032 0.00010 0.00003 -0.00004 0.00004 -0.00004 0.00001 0.00009 0.00002 0.00001 0.00012 0.00005 0.00005 0.00016 0.00009 0.00009 -0.00010 -0.00027 -0.00011 -0.00028 -0.00006 -0.00022 -0.00000 0.00007 0.00007 0.00013 0.00021 0.00021 0.00008 0.00016 0.00016 0.00024 0.00033 0.00036 0.00045 0.00039 0.00048 0.00004 -0.00004 -0.00004 -0.00012 0.00026 0.00032 0.00018 0.00020 0.00027 0.00012 0.00023 0.00029 0.00015 -0.00022 -0.00016 -0.00024 -0.00029 -0.00023 -0.00031 -0.00017 -0.00011 -0.00019 -0.00014 -0.00009 -0.00005 -0.00000 0.00027 0.00030 0.00020 0.00023 0.00028 0.00031 0.00010 0.00004 -0.00001 -0.00007 0.00018 -0.00001 0.00013 -0.00006 0.00001 -0.00029 -0.00002 -0.00032 -0.00004 -0.00001 -0.00000 -0.00004 -0.00006 -0.00003 -0.00003 0.00005 -0.00007 -0.00003 -0.00009 -0.00011 -0.00009 -0.00011 -0.00015 -0.00011 0.00003 0.00001 0.00002 0.00003 0.00006 0.00002 -0.00003 -0.00001 -0.00002 -0.00001 -0.00001 0.00006 -0.00001 -0.00001 0.00004 -0.00000 -0.00002 -0.00001 0.00002 0.00006 -0.00004 0.00001 0.00002 0.00001 0.00002 -0.00003 0.00001 -0.00000 -0.00000 0.00004 -0.00001 -0.00003 0.00001 -0.00005 -0.00001 0.00011 -0.00013 0.00001 0.00001 -0.00001 0.00001 -0.00004 -0.00009 0.00010 0.00003 -0.00008 -0.00009 0.00015 0.00005 0.00012 -0.00009 -0.00002 -0.00005 -0.00001 0.00010 0.00001 -0.00006 -0.00011 0.00009 -0.00005 0.00004 -0.00006 0.00002 0.00003 0.00007 -0.00011 -0.00002 0.00001 0.00011 -0.00008 0.00003 -0.00005 -0.00001 -0.00000 0.00001 0.00013 0.00012 -0.00012 -0.00014 0.00007 -0.00006 0.00005 0.00001 -0.00002 -0.00001 0.00011 -0.00017 -0.00001 0.00002 -0.00001 0.00005 0.00007 -0.00001 -0.00000 0.00002 -0.00014 -0.00005 0.00006 -0.00001 0.00005 0.00001 -0.00006 -0.00000 -0.00000 0.00001 0.00002 -0.00007 0.00005 0.00003 -0.00004 0.00001 -0.00005 0.00006 -0.00001 0.00008 -0.00015 0.00006 0.00012 0.00027 -0.00019 -0.00017 -0.00010 -0.00012 -0.00011 0.00013 0.00003 0.00001 -0.00010 0.00015 -0.00000 -0.00011 0.00014 -0.00020 -0.00013 -0.00005 -0.00016 -0.00008 -0.00001 -0.00033 0.00015 -0.00032 0.00016 0.00049 0.00003 0.00044 -0.00002 -0.00011 -0.00007 -0.00007 -0.00003 0.00014 0.00006 0.00010 0.00001 -0.00008 0.00001 0.00003 -0.00001 0.00006 0.00015 0.00015 0.00007 0.00016 0.00016 -0.00002 0.00007 0.00007 -0.00018 -0.00002 -0.00029 -0.00013 -0.00035 -0.00019 0.00015 0.00005 0.00006 -0.00002 -0.00013 -0.00012 0.00003 -0.00007 -0.00006 -0.00014 -0.00016 -0.00013 -0.00015 -0.00020 -0.00022 0.00005 0.00008 0.00007 0.00010 -0.00039 -0.00041 -0.00022 -0.00025 -0.00027 -0.00008 -0.00037 -0.00040 -0.00020 0.00023 0.00015 0.00028 0.00027 0.00019 0.00032 0.00013 0.00005 0.00018 0.00003 0.00007 -0.00000 0.00004 0.00015 0.00007 0.00027 0.00019 0.00011 0.00004 0.00002 0.00007 -0.00002 0.00003 -0.00010 0.00002 -0.00014 -0.00002 -0.00005 0.00025 0.00003 0.00033 -0.00002 -0.00004 -0.00002 -0.00001 -0.00002 -0.00002 -0.00003 -0.00002 -0.00006 0.00006 -0.00005 -0.00005 -0.00001 -0.00006 -0.00005 -0.00005 -0.00000 0.00001 0.00002 0.00001 0.00004 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00004 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00004 -0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00000 -0.00001 0.00000 -0.00003 -0.00000 -0.00000 0.00009 0.00006 -0.00000 -0.00005 0.00000 -0.00002 -0.00008 0.00006 0.00004 -0.00007 -0.00001 0.00007 0.00000 0.00003 -0.00003 0.00000 -0.00000 -0.00001 0.00008 0.00004 -0.00009 0.00004 -0.00004 -0.00003 0.00001 -0.00001 -0.00000 -0.00000 -0.00002 0.00001 -0.00002 0.00002 0.00003 -0.00002 0.00001 -0.00002 -0.00005 0.00001 0.00003 0.00009 0.00006 -0.00005 -0.00008 0.00002 -0.00004 -0.00001 -0.00000 -0.00000 -0.00002 0.00007 -0.00004 -0.00001 0.00000 0.00001 0.00001 0.00005 -0.00000 -0.00001 0.00001 -0.00006 -0.00002 0.00004 -0.00002 0.00002 0.00002 -0.00004 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00002 0.00001 -0.00007 -0.00008 -0.00007 -0.00006 -0.00002 0.00001 -0.00004 -0.00003 0.00002 0.00016 0.00005 0.00019 0.00057 0.00046 0.00060 -0.00004 -0.00016 -0.00010 -0.00043 -0.00055 -0.00049 -0.00091 -0.00048 -0.00053 -0.00010 0.00090 0.00049 0.00125 0.00084 0.00010 0.00024 -0.00018 -0.00005 -0.00011 -0.00026 0.00019 0.00004 -0.00011 0.00005 -0.00001 0.00000 0.00014 0.00017 0.00016 0.00018 0.00021 0.00020 0.00014 0.00017 0.00016 -0.00028 -0.00029 -0.00040 -0.00041 -0.00040 -0.00041 0.00015 0.00012 0.00013 0.00011 0.00008 0.00009 0.00012 0.00008 0.00010 0.00011 0.00017 0.00023 0.00030 0.00019 0.00026 0.00009 0.00004 0.00003 -0.00002 -0.00013 -0.00009 -0.00004 -0.00004 -0.00001 0.00005 -0.00014 -0.00010 -0.00005 0.00001 -0.00001 0.00003 -0.00002 -0.00004 0.00001 -0.00004 -0.00006 -0.00002 -0.00011 -0.00002 -0.00006 0.00004 0.00041 0.00037 0.00047 0.00042 0.00040 0.00035 0.00012 0.00011 -0.00003 -0.00004 0.00009 0.00002 -0.00000 -0.00007 -0.00004 -0.00004 0.00000 0.00000 2.53808 2.74875 2.58993 2.56883 2.27787 2.29507 2.78942 2.80132 2.59324 2.70170 2.62532 2.61550 2.46883 2.61774 2.90216 2.90510 2.06154 2.89136 2.06186 2.06447 2.81383 2.05599 2.06680 2.06622 2.06407 2.06869 2.57382 2.87825 2.05993 2.06160 2.91065 2.07296 2.06442 2.70524 2.03802 2.84286 2.07330 2.06776 2.57816 2.03314 2.03604 2.56995 2.03766 2.03440 2.03803 2.51679 2.06103 2.05034 2.05279 2.04863 1.87401 2.05285 2.14858 2.00289 2.16301 2.24746 1.85894 1.84741 1.97138 1.96017 1.86255 1.95039 1.87896 1.83051 1.95751 1.91882 1.86847 1.94193 1.92769 1.84468 1.97621 1.85840 1.93001 1.92067 1.90826 1.86672 2.17337 1.93765 2.17003 2.17136 2.08913 2.02219 1.95402 1.93015 1.94241 1.87750 1.87657 1.88003 2.04317 1.91123 2.32878 1.95033 1.80867 1.89134 1.94586 1.94514 1.91720 1.99136 1.86865 1.90071 1.91388 1.92062 1.86376 1.86198 2.19427 2.22677 1.98000 1.87986 1.92170 1.90342 1.91707 1.85731 1.84170 2.11331 2.32813 1.94582 2.12301 2.21410 1.85181 2.22600 2.20537 1.92567 2.02586 2.33165 1.93039 2.11856 2.23422 2.18835 2.01556 2.07923 2.11286 2.13309 2.03703 0.04010 3.11392 -1.39230 2.79355 0.75755 -3.12439 0.01264 -0.00960 3.12794 -0.94625 1.27899 -3.00759 1.75679 -2.30115 -0.30455 -0.91819 -3.03110 1.23022 2.62589 0.51297 -1.50889 -2.57132 0.60463 0.14307 -2.96416 0.55585 -2.61837 -2.38358 0.72538 -3.00763 0.12471 -0.03005 3.10229 2.99093 -0.12813 0.02398 -3.09508 -0.00736 3.11026 -0.01267 3.13282 -1.01262 1.15776 -3.12969 3.04019 -1.07261 0.92312 1.03910 -3.07370 -1.07797 0.90549 -2.30372 -3.14134 -0.06736 -1.11060 1.96338 1.09072 -3.09900 -1.01001 -1.06678 1.02669 3.11568 -3.10978 -1.01632 1.07267 1.79306 -1.34261 -2.41275 0.73476 -0.36732 2.78020 -0.01071 -3.13434 3.12529 0.00165 -0.99587 -3.11676 1.15730 1.01907 -1.10183 -3.11095 -3.11489 1.04740 -0.96172 -1.08369 3.09109 1.07271 1.01202 -1.09639 -3.11477 3.05715 0.94874 -1.06964 0.00472 -3.14028 3.12791 -0.01708 2.24859 -0.90182 -1.93952 1.19325 0.08967 -3.06075 0.02692 -3.11890 -3.10377 0.03360 0.00303 -3.13353 -3.13521 0.01141 3.12641 0.00745 -0.00606 -3.12502 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000044 0.000010 0.001723 0.000508 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.358998e-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 1.3431 1.4546 1.3705 1.3594 1.2054 1.2145 1.4761 1.4824 1.3723 1.4296 1.3893 1.3841 1.3065 1.3853 1.5358 1.5373 1.0909 1.53 1.0911 1.0925 1.489 1.088 1.0937 1.0934 1.0923 1.0947 1.362 1.5231 1.0901 1.091 1.5402 1.097 1.0925 1.4316 1.0785 1.5044 1.0971 1.0942 1.3643 1.0759 1.0774 1.36 1.0783 1.0766 1.0785 1.3318 1.0906 1.085 1.0863 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 117.3795 107.3732 117.62 123.0989 114.7539 123.9315 128.7728 106.5095 105.8499 112.9567 112.3058 106.7139 111.7526 107.657 104.8766 112.1569 109.9388 107.0573 111.2643 110.4487 105.6927 113.2238 106.4764 110.5865 110.0442 109.3376 106.9568 124.5241 111.0198 124.3335 124.41 119.6991 115.8627 111.9584 110.5883 111.2901 107.5742 107.519 107.7189 117.0676 109.5045 133.4273 111.7405 103.6256 108.3687 111.4942 111.4475 109.8501 114.097 107.0659 108.9028 109.6583 110.0391 106.7879 106.6846 125.7222 127.5841 113.4452 107.705 110.1053 109.0589 109.8393 106.4194 105.5225 121.0813 133.3934 111.4861 121.6384 126.8609 106.1004 127.5399 126.3593 110.3325 116.0741 133.5928 110.6026 121.3851 128.0118 125.3826 115.4832 119.1324 121.057 122.2185 116.7126 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2.3013 178.4189 -79.7689 160.0622 43.4058 -179.0148 0.7267 -0.548 179.2163 -54.2251 73.2779 -172.3328 100.6242 -131.8728 -17.4835 -52.6061 -173.6602 70.4923 150.4766 29.4225 -86.4249 -147.2736 34.6703 8.2278 -169.8283 31.7965 -150.0497 -136.6405 41.5133 -172.3306 7.1315 -1.7112 177.7509 171.3739 -7.326 1.363 -177.3369 -0.4149 178.2017 -0.7253 179.4974 -58.0271 66.325 -179.3276 174.1797 -61.4682 52.8792 59.5281 -176.1198 -61.7724 51.8967 -131.9769 -179.9624 -3.836 -63.6098 112.5166 62.485 -177.5665 -57.8765 -61.128 58.8205 178.5105 -178.1842 -58.2357 61.4543 102.7285 -76.936 -138.2538 42.0817 -21.0568 159.2786 -0.6187 -179.587 179.0644 0.0961 -57.0517 -178.5721 66.3103 58.3908 -63.1296 -178.2472 -178.4618 60.0178 -55.0998 -62.0912 177.1073 61.4598 57.9855 -62.8161 -178.4636 175.1642 54.3626 -61.2849 0.2764 -179.9237 179.2195 -0.9806 128.8113 -51.6916 -111.1535 68.3436 5.115 -175.3879 1.5351 -178.7062 -177.8309 1.9277 0.1686 -179.5392 -179.6344 0.6579 179.1325 0.4295 -0.3478 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0620414984 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3.955127 0.000000 2.238956 3.094355 0.000000 4.826513 5.107112 5.758963 0.000000 2.815380 3.372129 3.487904 2.275997 0.000000 3.799927 5.715948 5.080916 2.268212 2.354685 0.000000 4.303624 7.347180 5.917772 4.384661 4.210801 2.204227 0.000000 2.360123 3.425057 2.414810 3.539122 1.461209 2.878108 4.258032 0.000000 3.703698 3.438482 2.805840 4.190450 2.496685 3.931636 5.428833 1.528935 0.000000 3.590614 2.432778 3.859045 2.687577 1.465836 3.669780 5.606624 2.496663 3.011561 0.000000 1.327956 3.187532 1.198801 4.731526 2.484056 3.941458 4.834341 1.530188 2.535817 3.148939 0.000000 3.739405 4.640421 4.737509 1.204769 1.365827 1.414651 3.570725 2.478866 3.388171 2.385378 3.656282 0.000000 4.890656 4.515731 4.313691 3.819183 2.981027 3.825229 5.503811 2.534150 1.521860 3.516015 3.893583 3.307845 0.000000 3.280139 1.350261 3.263779 4.095715 2.461791 4.741085 6.384035 2.966553 3.497740 1.486578 2.866192 3.643158 4.453646 0.000000 1.430933 4.585448 2.705092 6.161137 4.185050 5.127601 5.279407 3.710307 4.903700 4.742733 2.370425 5.117943 6.208405 4.071289 0.000000 2.454497 5.750934 3.199979 7.203610 5.221426 5.802022 5.489998 4.429967 5.477663 5.981556 3.126693 6.067982 6.773510 5.406382 1.517331 0.000000 3.189942 2.211546 3.609218 4.877000 3.310954 5.316928 6.659468 3.797496 4.608732 2.601864 3.243030 4.389646 5.675892 1.356470 3.560927 5.026351 0.000000 2.997009 6.780458 4.180989 7.181997 5.483282 5.412317 4.554308 4.733256 5.885422 6.522424 3.803539 6.025915 6.957398 6.258650 2.565173 1.529879 5.986273 0.000000 5.089316 6.951257 6.272685 2.863022 3.597266 1.377111 2.242662 4.015384 4.798792 4.832785 5.183212 2.470092 4.312758 6.026255 6.385749 6.903137 6.666418 6.304870 0.000000 3.232147 6.084297 4.888322 3.472820 2.978424 1.369176 1.295294 3.154683 4.461526 4.354156 3.739110 2.505840 4.705426 5.092293 4.362658 4.852823 5.386195 4.248686 2.201848 0.000000 3.857389 2.213237 3.642283 6.189778 4.447512 6.547481 7.790611 4.594672 5.154191 3.700255 3.736614 5.654420 6.387498 2.226612 3.838668 5.154316 1.423626 6.379281 7.905587 6.539059 0.000000 4.237127 1.341078 3.319981 6.239788 4.417204 6.691552 8.108498 4.360525 4.511800 3.570517 3.671505 5.714767 5.738364 2.174694 4.442090 5.590629 2.215136 6.829485 7.993682 6.851606 1.353791 0.000000 5.291856 7.809371 6.670665 4.093006 4.491159 2.174164 1.370116 4.673099 5.592954 5.841971 5.590595 3.541225 5.286817 6.869418 6.423901 6.704426 7.343911 5.832419 1.357604 2.127053 8.542143 8.733996 0.000000 3.584053 7.470635 5.270623 7.346818 5.944636 5.602606 4.483089 5.527803 6.864771 6.957597 4.699267 6.291058 7.843465 6.734693 3.075178 2.526940 6.265719 1.496570 6.447997 4.307306 6.799857 7.487703 5.848901 0.000000 4.006763 7.898225 5.951483 6.881723 5.862495 5.057073 3.643890 5.669455 7.084335 6.972870 5.159782 5.918335 7.852838 6.994276 3.882501 3.654254 6.599513 2.510446 5.732539 3.705167 7.365312 8.081004 4.996944 1.327033 0.000000 2.591326 4.512173 3.015373 3.704189 2.067255 2.378732 3.391399 1.093110 2.117114 3.392284 2.099152 2.551231 2.739472 3.987707 3.929739 4.372049 4.694542 4.323684 3.350085 2.476772 5.538481 5.394348 3.807880 5.117661 5.134594 0.000000 4.032572 2.616535 2.792674 4.565206 2.842951 4.717832 6.341613 2.176259 1.089866 2.807066 2.798437 3.916997 2.161655 3.013746 5.096133 5.814690 4.206423 6.459720 5.672105 5.275027 4.563953 3.721571 6.543573 7.430974 7.744004 3.040348 0.000000 3.924878 4.059959 2.655774 5.168679 3.404105 4.559489 5.705743 2.127105 1.091055 4.019836 2.701918 4.273418 2.148219 4.288998 4.959862 5.243272 5.270833 5.639059 5.344551 4.874143 5.631113 4.938995 5.948065 6.794239 7.139395 2.398919 1.734844 0.000000 4.204755 3.215696 4.831108 2.342600 2.069904 3.795374 5.762697 3.389383 4.019367 1.088131 4.032686 2.452125 4.304152 2.109776 5.299770 6.626409 2.861892 7.084752 4.878134 4.545479 4.116273 4.216573 5.928170 7.314402 7.184518 4.135880 3.863414 5.050283 0.000000 4.434457 2.522670 4.252802 2.960272 2.122493 4.187058 6.246157 2.868008 2.806307 1.094281 3.730820 2.867203 3.031751 2.123283 5.608749 6.754534 3.418891 7.313105 5.174804 5.058550 4.283720 3.826349 6.302269 7.872886 7.905528 3.771162 2.420270 3.862429 1.745152 0.000000 5.170654 4.414856 4.847871 3.078130 2.757563 3.691717 5.651682 2.872638 2.188245 3.031723 4.299474 2.879998 1.090922 4.202977 6.534484 7.293653 5.470909 7.497437 4.167255 4.783826 6.311774 5.724384 5.329424 8.231173 8.137938 3.217746 2.528925 3.074643 3.630518 2.409989 0.000000 5.793039 4.991975 4.882021 4.770696 4.010367 4.881824 6.485929 3.475065 2.158038 4.350784 4.683156 4.368173 1.089442 5.175024 7.040989 7.525749 6.446875 7.767339 5.250660 5.753325 7.008747 6.189265 6.203419 8.752816 8.826529 3.697027 2.509275 2.453156 5.155915 3.682565 1.752259 0.000000 5.008674 5.387155 4.733258 3.849303 3.261044 3.376579 4.812674 2.766764 2.176617 4.139934 4.177648 3.261119 1.091928 5.160044 6.355362 6.773720 6.280273 6.716387 3.603536 4.223642 7.089186 6.567854 4.468989 7.564568 7.459402 2.524532 3.077992 2.536180 4.829034 3.842931 1.761329 1.756044 0.000000 2.001865 5.140699 3.712764 6.222818 4.509378 5.230022 5.237991 4.342977 5.676579 5.034544 3.199257 5.266122 6.877007 4.411041 1.090263 2.158022 3.669773 2.828253 6.473800 4.369049 4.106710 4.966354 6.443184 2.763749 3.421906 4.511832 5.881487 5.856611 5.383948 6.013246 7.080627 7.784670 6.978347 0.000000 2.073342 4.050999 2.523416 6.568494 4.493249 5.840009 6.253228 4.031106 5.017362 4.738231 2.570502 5.598802 6.426039 3.763639 1.091698 2.160827 3.131087 3.504231 7.152444 5.246063 3.034314 3.641911 7.327989 4.067444 4.936280 4.489766 4.978782 5.079648 5.341568 5.537059 6.727535 7.172993 6.742618 1.769193 0.000000 3.360030 6.370769 3.999068 8.140758 6.169648 6.803655 6.408812 5.450004 6.471846 6.809337 4.070029 7.038530 7.812838 6.075929 2.110317 1.095097 5.502747 2.154810 7.916102 5.811137 5.444086 5.998134 7.672416 2.772808 4.045600 5.453073 6.716469 6.225791 7.407255 7.612520 8.314572 8.544382 7.852754 2.453228 2.441105 0.000000 2.781995 5.575511 2.706948 7.433698 5.323104 6.067580 5.907670 4.289888 5.070808 6.055359 2.973053 6.273815 6.420171 5.464878 2.149620 1.091094 5.278663 2.161884 7.138010 5.258651 5.256210 5.435057 7.013999 3.460045 4.544189 4.267282 5.379249 4.655307 6.839278 6.685560 7.060851 7.050523 6.465629 3.057541 2.467457 1.745486 0.000000 3.225483 3.250219 4.247905 4.772587 3.492336 5.136110 6.314259 4.179163 5.232758 3.001699 3.666936 4.329360 6.204713 2.173002 3.523680 5.040826 1.077721 5.840422 6.470813 5.086037 2.249000 3.263111 7.057842 5.862788 6.064597 4.915938 4.998586 5.920203 2.955622 3.977741 5.942208 7.076356 6.676416 3.312937 3.306823 5.468871 5.502531 0.000000 3.985027 7.616360 4.812345 8.143446 6.429356 6.281534 5.247463 5.543443 6.546205 7.490402 4.618147 6.968909 7.606571 7.207918 3.477070 2.133776 6.965143 1.094869 7.062446 5.115744 7.242981 7.618716 6.482603 2.122270 3.141594 5.067013 7.144868 6.141898 8.107152 8.221915 8.246952 8.334226 7.313545 3.806182 4.284479 2.456412 2.432509 6.876308 0.000000 2.753151 6.530492 3.932905 6.440627 4.831638 4.542924 3.683531 4.023409 5.153828 6.017368 3.390526 5.264426 6.089035 5.977817 2.872552 2.174837 5.926603 1.092705 5.353752 3.420736 6.472359 6.790724 4.887761 2.132696 2.640700 3.438778 5.858565 4.916002 6.606068 6.738577 6.653933 6.908975 5.750510 3.249687 3.855819 3.069106 2.511816 5.828828 1.745324 0.000000 5.902495 7.238950 6.883913 2.763830 3.986000 2.151371 3.300808 4.514854 5.035538 5.032604 5.842084 2.763624 4.244469 6.369593 7.255518 7.838305 7.145177 7.317132 1.075645 3.227590 8.395761 8.381536 2.230682 7.506476 6.802428 3.977722 5.850992 5.657735 5.007667 5.182328 3.933883 5.075048 3.553127 7.378203 7.944999 8.867651 8.009894 7.011540 8.069436 6.350593 0.000000 2.320574 5.564675 4.249571 3.877175 2.862048 2.147851 2.117654 2.955396 4.428001 4.123660 3.106608 2.831188 5.000419 4.562840 3.340410 3.934927 4.649009 3.485582 3.231313 1.077993 5.732127 6.165092 3.178175 3.513365 3.107343 2.497052 5.114661 4.804832 4.371785 4.970502 5.119094 6.050131 4.701912 3.291797 4.248232 4.848780 4.450113 4.309042 4.463036 2.830074 4.210110 0.000000 4.416236 3.251353 4.307170 7.121925 5.401366 7.382446 8.448842 5.510721 6.136045 4.724370 4.485204 6.572291 7.418130 3.273458 4.053612 5.291783 2.249660 6.600076 8.754834 7.236692 1.077151 2.174989 9.300096 6.920986 7.579634 6.389585 5.570459 6.530266 5.055417 5.349835 7.373592 8.039359 8.087523 4.191968 3.136825 5.363497 5.469070 2.738525 7.415978 6.862107 9.304606 6.344582 0.000000 5.042800 2.062691 3.731435 7.152179 5.301241 7.583759 8.981581 5.068229 4.969239 4.472026 4.346456 6.621729 6.206180 3.171570 5.138806 6.113529 3.283338 7.435132 8.856279 7.748945 2.231047 1.076915 9.596763 8.209092 8.901055 6.089785 4.079074 5.244562 5.172775 4.549680 6.278856 6.495781 7.091489 5.759400 4.249638 6.449787 5.807414 4.315043 8.125171 7.429785 9.217502 7.073376 2.729760 0.000000 6.289874 8.862293 7.633408 5.003110 5.546098 3.228864 2.141016 5.672765 6.496605 6.888043 6.588747 4.560098 6.075705 7.941043 7.365768 7.521599 8.419781 6.514016 2.191002 3.149450 9.613759 9.796665 1.077809 6.480046 5.546150 4.755075 7.483275 6.778247 6.954418 7.299625 6.146987 6.910574 5.163668 7.369582 8.304868 8.466352 7.821310 8.116935 7.051010 5.571523 2.747340 4.161868 10.362199 10.644897 0.000000 4.192516 7.891178 5.790701 8.157379 6.708991 6.551573 5.507963 6.334808 7.665279 7.584037 5.343258 7.135980 8.734413 7.189097 3.350145 2.791702 6.539566 2.199185 7.450528 5.283246 6.931077 7.732520 6.877788 1.088088 2.083123 6.041519 8.132334 7.592667 7.907533 8.537554 9.101531 9.634204 8.529188 2.877804 4.173597 2.600002 3.790593 6.092126 2.592337 3.082776 8.502810 4.419572 6.882311 8.417790 7.508065 0.000000 4.830477 8.606022 6.875031 7.371542 6.564053 5.673705 4.221389 6.543863 8.003718 7.599343 6.055105 6.517934 8.731536 7.618818 4.627252 4.519655 7.108260 3.490780 6.282719 4.362041 7.909509 8.745034 5.507854 2.101293 1.081906 6.051234 8.631837 8.130657 7.679838 8.580173 8.930807 9.736670 8.339869 3.963489 5.622982 4.748416 5.482900 6.441076 4.053423 3.718748 7.331435 3.816720 8.045837 9.604767 5.980732 2.411685 0.000000 3.943299 7.780061 5.848728 6.231453 5.378576 4.244056 2.614002 5.188004 6.563754 6.620958 4.954011 5.269226 7.168210 6.856386 4.188781 4.025162 6.662822 2.793416 4.775830 2.877565 7.546544 8.138498 3.955987 2.117262 1.084366 4.507233 7.326712 6.639300 6.841544 7.484616 7.454507 8.143542 6.671124 3.895280 5.277173 4.642554 4.758825 6.183570 3.432193 2.473270 5.849934 2.534368 7.904919 8.975891 4.479348 3.068544 1.840941 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2591133 0.2193514 0.1456588 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.000500 0.000000 2.256562 3.141577 0.000000 4.801636 5.132048 5.806384 0.000000 2.824330 3.369387 3.519722 2.289540 0.000000 3.755595 5.729621 5.085858 2.288977 2.374611 0.000000 4.262624 7.376339 5.903501 4.420564 4.257194 2.224221 0.000000 2.376675 3.413119 2.430382 3.581132 1.476115 2.901517 4.293633 0.000000 3.725898 3.371379 2.820631 4.277589 2.511169 3.999655 5.503162 1.535786 0.000000 3.622288 2.439822 3.923903 2.706513 1.482403 3.704500 5.665133 2.530881 3.030514 0.000000 1.343105 3.216834 1.205407 4.753359 2.502985 3.932447 4.822831 1.537336 2.544019 3.196615 0.000000 3.711699 4.650142 4.764009 1.214507 1.372313 1.429647 3.606318 2.504907 3.449475 2.405076 3.663049 0.000000 4.917358 4.460842 4.333356 3.950913 3.007340 3.927174 5.607906 2.544029 1.530037 3.546600 3.907539 3.401700 0.000000 3.335889 1.370540 3.336036 4.107545 2.481011 4.770773 6.438030 2.998863 3.494749 1.488998 2.926058 3.658515 4.462659 0.000000 1.454599 4.644651 2.712083 6.150783 4.213928 5.103657 5.245186 3.742305 4.933942 4.786220 2.390966 5.110645 6.248090 4.132919 0.000000 2.465133 5.798552 3.182601 7.189349 5.239592 5.762855 5.426631 4.445446 5.498410 6.020311 3.126543 6.052786 6.797115 5.464608 1.523083 0.000000 3.276417 2.231576 3.674996 4.895366 3.359191 5.370760 6.743361 3.852478 4.618566 2.619243 3.316713 4.424420 5.703882 1.362005 3.644361 5.108748 0.000000 2.996002 6.824152 4.175886 7.149047 5.496288 5.354542 4.461154 4.752742 5.923967 6.555132 3.806156 5.997180 6.994373 6.313155 2.570553 1.540247 6.070874 0.000000 5.067475 6.986530 6.318245 2.872817 3.630624 1.389287 2.260611 4.075891 4.924379 4.875448 5.208932 2.488252 4.478417 6.067673 6.378844 6.885979 6.724478 6.262993 0.000000 3.165156 6.096036 4.847837 3.511685 3.012467 1.384090 1.306453 3.161514 4.499071 4.403088 3.699138 2.537308 4.775849 5.132955 4.312191 4.773487 5.459372 4.147030 2.222319 0.000000 3.938644 2.232062 3.687075 6.215018 4.482355 6.589066 7.855082 4.625104 5.130499 3.719692 3.790719 5.684320 6.381273 2.241422 3.923744 5.236255 1.431552 6.464038 7.959269 6.588503 0.000000 4.299178 1.359370 3.357456 6.274712 4.435407 6.719396 8.149533 4.365125 4.457595 3.592089 3.707303 5.739228 5.698679 2.199744 4.511368 5.650639 2.231288 6.890652 8.042406 6.875114 1.359961 0.000000 5.271906 7.849784 6.703682 4.112680 4.536200 2.192233 1.385280 4.734740 5.712879 5.896007 5.612580 3.569391 5.438907 6.922684 6.414432 6.679559 7.419153 5.780657 1.364292 2.148115 8.608217 8.787926 0.000000 3.637842 7.567283 5.306035 7.373541 6.030770 5.619794 4.466091 5.616191 6.963122 7.052344 4.757707 6.332281 7.951981 6.842253 3.108488 2.545439 6.401531 1.504358 6.461261 4.300651 6.928793 7.594231 5.851209 0.000000 4.041852 7.977596 5.993944 6.898323 5.948169 5.089355 3.667864 5.770981 7.205716 7.053427 5.219629 5.960263 7.993167 7.078681 3.890476 3.666303 6.704035 2.521322 5.756360 3.734420 7.463249 8.166310 5.021458 1.331820 0.000000 2.606648 4.500130 3.023684 3.729554 2.072500 2.391497 3.428653 1.090921 2.136614 3.416594 2.101111 2.563158 2.750713 4.018466 3.967608 4.394313 4.758281 4.351276 3.405714 2.477593 5.579097 5.403081 3.871357 5.218663 5.260485 0.000000 4.032152 2.506966 2.820623 4.615596 2.819240 4.752507 6.386938 2.166091 1.091079 2.780196 2.798260 3.940336 2.177692 2.959195 5.102699 5.825009 4.154816 6.485559 5.764997 5.282603 4.488800 3.629120 6.633001 7.502300 7.825085 3.045031 0.000000 3.937802 3.966162 2.626462 5.262655 3.419310 4.638959 5.792260 2.129885 1.092468 4.032593 2.686072 4.340268 2.168514 4.270470 4.973002 5.250957 5.260088 5.682671 5.498593 4.912155 5.574755 4.844982 6.097706 6.890289 7.271325 2.434738 1.740328 0.000000 4.217272 3.251672 4.887328 2.322615 2.072698 3.805759 5.801048 3.411544 4.036893 1.087979 4.067748 2.443891 4.337380 2.123983 5.328172 6.649394 2.890019 7.092883 4.880257 4.583986 4.158008 4.266653 5.946397 7.386082 7.233082 4.144324 3.840616 5.062725 0.000000 4.465754 2.515632 4.323369 3.007845 2.129292 4.229360 6.306934 2.893739 2.821882 1.093706 3.776484 2.898895 3.052789 2.119393 5.653724 6.793653 3.423867 7.346740 5.234168 5.105881 4.289226 3.834907 6.367408 7.966949 7.990483 3.785253 2.404994 3.873930 1.753275 0.000000 5.149320 4.386480 4.864004 3.156060 2.726943 3.707600 5.671699 2.838951 2.188073 3.038782 4.286716 2.901481 1.093398 4.203671 6.534626 7.276351 5.484465 7.473111 4.230089 4.782069 6.311767 5.712834 5.379976 8.274965 8.196606 3.161478 2.552805 3.088080 3.638349 2.431911 0.000000 5.829069 4.884979 4.910009 4.886631 4.020260 4.997479 6.624300 3.491643 2.170118 4.339620 4.704783 4.452195 1.092264 5.139831 7.088173 7.572683 6.429339 7.841564 5.447904 5.843353 6.953105 6.096170 6.398683 8.888182 8.996224 3.736480 2.517576 2.502413 5.147428 3.652450 1.763451 0.000000 5.052048 5.355447 4.732822 4.051001 3.337393 3.548091 4.968968 2.793615 2.180757 4.218188 4.192411 3.422331 1.094705 5.208478 6.408540 6.795123 6.356184 6.754980 3.850223 4.347245 7.117511 6.548372 4.687368 7.693066 7.640137 2.552196 3.089522 2.534303 4.916722 3.902241 1.764799 1.766137 0.000000 2.012755 5.200329 3.719991 6.187240 4.531300 5.192874 5.197784 4.371189 5.702374 5.066331 3.216331 5.242740 6.914820 4.464333 1.090071 2.173639 3.754414 2.831984 6.440639 4.320632 4.202414 5.042877 6.411901 2.798370 3.407900 4.546859 5.875530 5.869341 5.400074 6.045679 7.071312 7.825919 7.041974 0.000000 2.075137 4.087081 2.498789 6.539509 4.489371 5.798669 6.210376 4.023434 4.998874 4.750869 2.556859 5.568806 6.419771 3.795756 1.090951 2.173727 3.183082 3.516973 7.131194 5.184151 3.101591 3.692630 7.307310 4.106052 4.945397 4.489350 4.939272 5.035559 5.349785 5.550836 6.698097 7.164796 6.747056 1.784951 0.000000 3.382403 6.427405 3.974634 8.136140 6.198149 6.775828 6.355236 5.468687 6.486280 6.857246 4.072893 7.034255 7.833362 6.142613 2.122206 1.096965 5.594407 2.170826 7.905006 5.747896 5.536905 6.065923 7.652738 2.783787 4.050082 5.478819 6.719444 6.218289 7.445235 7.658470 8.301838 8.582007 7.871621 2.490860 2.470153 0.000000 2.758198 5.586025 2.649715 7.389715 5.295325 5.991118 5.811581 4.253925 5.043947 6.055884 2.926669 6.221359 6.390601 5.488741 2.142736 1.092452 5.326959 2.172318 7.094411 5.137892 5.307157 5.462830 6.963851 3.478053 4.560285 4.235552 5.357681 4.615008 6.826494 6.686832 6.999616 7.051440 6.418218 3.061785 2.465378 1.757566 0.000000 3.318886 3.270585 4.312015 4.788086 3.558700 5.208943 6.425906 4.254211 5.266123 3.022279 3.747198 4.375366 6.260766 2.175633 3.607892 5.130271 1.078468 5.936600 6.537610 5.192125 2.257375 3.279388 7.148245 6.014391 6.181143 5.005790 4.962968 5.937695 2.978187 3.986900 5.969025 7.089483 6.792933 3.403002 3.354230 5.568720 5.557462 0.000000 3.969628 7.639688 4.775087 8.085612 6.411566 6.189430 5.113990 5.521257 6.539728 7.500530 4.589132 6.911154 7.590674 7.247670 3.486680 2.145678 7.044933 1.097150 6.984696 4.979811 7.325652 7.667627 6.391950 2.131840 3.162904 5.045316 7.138941 6.137771 8.097135 8.228025 8.176674 8.361716 7.284025 3.828804 4.305515 2.490743 2.439332 6.973096 0.000000 2.696494 6.529320 3.920096 6.357605 4.793947 4.436457 3.550491 4.012203 5.184603 5.998835 3.362722 5.184829 6.115404 5.981054 2.840135 2.174471 5.955323 1.094210 5.278008 3.259030 6.506077 6.809202 4.809389 2.139555 2.649168 3.441892 5.873454 4.976214 6.553089 6.727941 6.600849 6.985703 5.783446 3.197611 3.827197 3.077050 2.518569 5.864261 1.754914 0.000000 5.878677 7.264981 6.945784 2.741726 3.999992 2.151968 3.321347 4.577036 5.179781 5.052038 5.874119 2.758565 4.441605 6.390068 7.247117 7.828859 7.174442 7.285066 1.075889 3.243473 8.428833 8.420241 2.244022 7.519157 6.818101 4.034841 5.962385 5.840384 4.974964 5.228420 4.024582 5.309413 3.842410 7.334778 7.920599 8.861897 7.980072 7.039881 8.005434 6.289713 0.000000 2.213193 5.552924 4.147254 3.915716 2.880738 2.154306 2.134579 2.913455 4.399896 4.162529 3.012402 2.854314 5.008971 4.593016 3.262165 3.819023 4.726054 3.357392 3.248281 1.077422 5.774000 6.166198 3.201479 3.518464 3.165102 2.448052 5.059078 4.760273 4.420319 4.996498 5.076959 6.068607 4.755187 3.245574 4.160120 4.761578 4.280420 4.438235 4.308096 2.619069 4.219280 0.000000 4.502382 3.271254 4.342292 7.145913 5.440664 7.427129 8.518136 5.544188 6.113521 4.745271 4.537624 6.604289 7.413729 3.288247 4.144306 5.384801 2.256796 6.698460 8.809707 7.291096 1.078282 2.179659 9.369046 7.058556 7.681167 6.437007 5.496732 6.472391 5.098549 5.356431 7.374656 7.985372 8.118389 4.302642 3.217672 5.471303 5.534804 2.746389 7.520999 6.908099 9.336893 6.396063 0.000000 5.090993 2.072032 3.746576 7.183240 5.303338 7.594301 8.999277 5.048088 4.883962 4.487592 4.360682 6.634486 6.131113 3.193905 5.198839 6.161673 3.300122 7.483555 8.891782 7.748402 2.242211 1.076556 9.633505 8.300360 8.973967 6.071420 3.971199 5.109868 5.221389 4.552671 6.249164 6.363655 7.024154 5.831090 4.297844 6.506684 5.825042 4.332680 8.159549 7.440133 9.249207 7.045047 2.742984 0.000000 6.276240 8.907812 7.677927 5.019299 5.593130 3.247975 2.153652 5.743536 6.633964 6.942704 6.620163 4.588052 6.245833 7.996186 7.360332 7.504115 8.494602 6.469660 2.199226 3.169942 9.682027 9.855520 1.078476 6.476812 5.565003 4.829575 7.591988 6.954231 6.968266 7.368378 6.211010 7.136462 5.397002 7.337787 8.289509 8.450941 7.784612 8.203671 6.968101 5.512966 2.768552 4.186276 10.432890 10.687960 0.000000 4.281501 8.028026 5.834201 8.227388 6.832364 6.602617 5.516679 6.442759 7.770931 7.722054 5.421694 7.216480 8.852902 7.341432 3.416455 2.816184 6.726651 2.205547 7.490462 5.311700 7.108642 7.878987 6.900996 1.090647 2.092256 6.154628 8.214535 7.679875 8.033811 8.669983 9.169815 9.770849 8.663046 2.975862 4.251013 2.614337 3.809535 6.301457 2.593984 3.089935 8.540660 4.468829 7.072243 8.545625 7.518849 0.000000 4.891191 8.715220 6.932883 7.431083 6.690233 5.755510 4.302383 6.675603 8.150345 7.717013 6.137971 6.605200 8.905368 7.734186 4.650362 4.536177 7.242681 3.504300 6.345906 4.453906 8.033103 8.855915 5.572838 2.107584 1.084997 6.205681 8.733806 8.280462 7.771337 8.700735 9.027259 9.933709 8.561267 3.972076 5.647637 4.753627 5.502375 6.590905 4.075996 3.730265 7.379623 3.950518 8.170679 9.701802 6.032019 2.422636 0.000000 3.929448 7.810204 5.875086 6.190653 5.412387 4.229554 2.609662 5.259037 6.671075 6.645295 4.982965 5.257443 7.294554 6.885112 4.162942 4.025660 6.707471 2.798999 4.763887 2.859324 7.591031 8.177155 3.956498 2.120477 1.086288 4.612634 7.389201 6.775810 6.821997 7.519867 7.481744 8.308962 6.847580 3.831159 5.248859 4.640215 4.765971 6.233651 3.452979 2.475901 5.832267 2.533186 7.953077 9.006161 4.486869 3.076695 1.848475 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2582792 0.2144905 0.1440531 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 711 710 710 711 711 MxSgAt= 48 MxSgA2= 48. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2379.3825523692 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 -0.0617190305 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2352.7716742820 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 -0.0599434102 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2382.5601411411 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 -0.0628329289 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2371.3304593259 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 -0.0612295372 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2376.0750720965 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 -0.0618413215 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2373.4923285922 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 -0.0614490719 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2373.3165644273 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 -0.0615029892 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.4206882489 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 -0.0615803366 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.2616321191 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 -0.0615824662 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.7287877690 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 -0.0616213058 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.8075042997 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 -0.0616429572 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.7495560512 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 -0.0616304427 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.7882718572 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 -0.0616327525 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= 1.53D-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= 710 709 709 709 710 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.55137666561 -1164.73274799238 -0.181371326777 -1165.12215956030 -0.389411567912 -1164.38070690161 0.741452658689 -1165.18780769060 -0.807100788997 -1165.25770352571 -0.069895835110 -1165.25850607414 -0.000802548427 -1165.25853371351 -0.000027639372 -1165.25853897966 -0.000005266148 -1165.25853914238 -0.000000162722 -1165.25853917633 -0.000000033948 -1165.25853918058 -0.000000004251 -1165.25853918079 -0.000000000210 -1165.25853918091 -0.000000000123 -1165.25853918098 -0.000000000062 -1165.25853918089 0.000000000085 -1165.25853918 16 1.161152688849e+03 -7.496437101156e+03 2.780382382645e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 9.57783190e-01 6.52998743e-01 2.91179359e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 0.009470146 0.004548235 -0.007792043 -0.003311877 0.011604210 0.013722171 -0.008678715 -0.006615841 0.008041212 -0.003429150 0.013565713 -0.009532956 0.000746465 -0.000576327 -0.001467171 -0.003455147 0.001057621 0.000715360 0.011939036 -0.009809028 0.000749727 0.003887365 -0.001865956 0.005926500 -0.002920689 0.000132246 0.003687012 -0.007146659 0.003091735 -0.003918837 0.001561463 0.006786669 0.002745298 -0.000748173 -0.003838437 0.003445433 0.000489233 0.004167194 0.001085045 0.008701921 0.005928298 -0.006771061 -0.003702258 -0.010752952 -0.004764472 -0.002081165 -0.002877761 0.003222329 0.003098385 -0.002993944 -0.007074074 0.002318205 0.000775748 0.002268015 0.002141461 0.011328173 0.001894740 -0.008570270 -0.014403340 -0.003456759 -0.000337765 -0.006385657 -0.004571056 -0.011866506 -0.009911853 0.003825672 0.010617726 0.006522166 0.002705304 0.000381607 -0.002252894 -0.000365255 0.002770352 0.002944261 -0.001869371 -0.000855373 -0.001009476 -0.001569388 -0.001000197 -0.001439645 -0.001959218 0.000130669 -0.001920606 0.000301790 0.001609277 0.000463266 -0.000006968 -0.000241864 -0.000609186 0.000792514 0.000115747 0.000119815 -0.002039731 -0.001092921 0.000786521 0.001747030 0.002093903 -0.000214576 -0.000081404 0.000887998 0.000982538 -0.000454615 -0.000610706 0.002235630 0.001252457 -0.000285924 -0.001451910 -0.000773628 -0.001079943 0.001758244 0.000675695 0.000675765 0.000075923 -0.000079644 0.000647534 -0.001270280 0.001219385 -0.000777735 0.001692388 -0.000354090 -0.001389425 -0.000073755 -0.000533185 -0.001459188 0.000392281 0.000769817 -0.000243034 -0.000711500 -0.000150503 0.000283536 0.000567780 0.000411975 0.000671976 0.000361986 0.000176969 -0.000781606 -0.001651448 -0.000521534 0.000912767 -0.000639844 -0.001890929 -0.000086246 0.001387574 0.000616442 0.014403340 0.004490076 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.26226293149 -1165.26226781388 -0.000004882392 -1165.26226780503 0.000000008848 -1165.26226789221 -0.000000087178 -1165.26226789685 -0.000000004639 -1165.26226789844 -0.000000001589 -1165.26226789842 0.000000000015 -1165.26226789837 0.000000000050 -1165.26226789843 -0.000000000063 -1165.26226789837 0.000000000067 -1165.26226790 10 1.160502822139e+03 -7.466210028306e+03 2.765718299163e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT75208.600S Tue Jan 18 00:12:30 2022 9.83431933e-01 7.39541293e-01 2.76459011e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2622679 2.831E-9 1.694E-5 -4.0645363,4.219658,-0.1551218,3.8849999,3.1015627,8.414937 C01 [X(C18H23N3O4)] -1.0415018 -0.6541854 0.278935 -0.000006621 0.000016957 0.000010683 -0.000019687 -0.000003226 0.000002910 0.000030147 0.000020941 -0.000024529 0.000003295 -0.000031204 -0.000027567 0.000014115 0.000029228 0.000001163 0.000047178 -0.000039089 0.000009491 -0.000020398 0.000026704 0.000003158 0.000017444 -0.000039193 -0.000007380 0.000011896 -0.000009482 -0.000055987 -0.000002409 0.000005657 0.000010028 -0.000037494 -0.000022135 0.000028991 -0.000027111 0.000040312 0.000058610 0.000007402 -0.000007389 0.000006769 -0.000013319 -0.000008425 -0.000010906 -0.000004047 0.000025951 0.000007003 0.000016069 0.000005794 -0.000000252 0.000010338 -0.000002748 -0.000001916 -0.000007054 -0.000012357 0.000000216 -0.000051084 0.000003062 -0.000014230 0.000020447 0.000050592 -0.000016845 -0.000016383 0.000006951 -0.000007961 0.000016717 -0.000000354 0.000006039 0.000009385 -0.000049455 0.000003291 -0.000012687 -0.000024714 0.000006329 0.000025578 0.000004671 -0.000035496 -0.000006827 0.000009678 0.000011238 -0.000014700 0.000001115 0.000004895 0.000004516 -0.000005924 0.000010289 -0.000003626 0.000003169 -0.000006654 0.000011729 -0.000003318 -0.000002753 -0.000005475 0.000002188 0.000003991 0.000002887 0.000004324 -0.000002918 -0.000004130 0.000007361 0.000003920 -0.000001033 -0.000014402 0.000003275 0.000001750 0.000009434 -0.000008397 -0.000007044 -0.000005341 0.000012488 -0.000008424 -0.000011479 -0.000005358 0.000004320 -0.000003625 -0.000004217 0.000004648 0.000014102 -0.000003109 0.000001727 0.000004891 0.000011866 0.000005466 0.000004928 0.000000653 0.000000501 -0.000012260 -0.000000034 0.000000217 -0.000002465 -0.000002814 0.000001629 0.000005672 0.000003659 0.000001784 -0.000002038 0.000004303 0.000003780 0.000002275 -0.000002981 -0.000002277 0.000004637 0.000005680 -0.000003139 0.000000029 0.000011368 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-ESTREMERA PAULAPLA Optimization pefurazoate CONF9 gas EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization pefurazoate CONF9 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF9/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 1.3431 1.4546 1.3705 1.3594 1.2054 1.2145 1.4761 1.4824 1.3723 1.4296 1.3893 1.3841 1.3065 1.3853 1.5358 1.5373 1.0909 1.53 1.0911 1.0925 1.489 1.088 1.0937 1.0934 1.0923 1.0947 1.362 1.5231 1.0901 1.091 1.5402 1.097 1.0925 1.4316 1.0785 1.5044 1.0971 1.0942 1.3643 1.0759 1.0774 1.36 1.0783 1.0766 1.0785 1.3318 1.0906 1.085 1.0863 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 117.3795 107.3732 117.62 123.0989 114.7539 123.9315 128.7728 106.5095 105.8499 112.9567 112.3058 106.7139 111.7526 107.657 104.8766 112.1569 109.9388 107.0573 111.2643 110.4487 105.6927 113.2238 106.4764 110.5865 110.0442 109.3376 106.9568 124.5241 111.0198 124.3335 124.41 119.6991 115.8627 111.9584 110.5883 111.2901 107.5742 107.519 107.7189 117.0676 109.5045 133.4273 111.7405 103.6256 108.3687 111.4942 111.4475 109.8501 114.097 107.0659 108.9028 109.6583 110.0391 106.7879 106.6846 125.7222 127.5841 113.4452 107.705 110.1053 109.0589 109.8393 106.4194 105.5225 121.0813 133.3934 111.4861 121.6384 126.8609 106.1004 127.5399 126.3593 110.3325 116.0741 133.5928 110.6026 121.3851 128.0118 125.3826 115.4832 119.1324 121.057 122.2185 116.7126 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2.3013 178.4189 -79.7689 160.0622 43.4058 -179.0148 0.7267 -0.548 179.2163 -54.2251 73.2779 -172.3328 100.6242 -131.8728 -17.4835 -52.6061 -173.6602 70.4923 150.4766 29.4225 -86.4249 -147.2736 34.6703 8.2278 -169.8283 31.7965 -150.0497 -136.6405 41.5133 -172.3306 7.1315 -1.7112 177.7509 171.3739 -7.326 1.363 -177.3369 -0.4149 178.2017 -0.7253 179.4974 -58.0271 66.325 -179.3276 174.1797 -61.4682 52.8792 59.5281 -176.1198 -61.7724 51.8967 -131.9769 -179.9624 -3.836 -63.6098 112.5166 62.485 -177.5665 -57.8765 -61.128 58.8205 178.5105 -178.1842 -58.2357 61.4543 102.7285 -76.936 -138.2538 42.0817 -21.0568 159.2786 -0.6187 -179.587 179.0644 0.0961 -57.0517 -178.5721 66.3103 58.3908 -63.1296 -178.2472 -178.4618 60.0178 -55.0998 -62.0912 177.1073 61.4598 57.9855 -62.8161 -178.4636 175.1642 54.3626 -61.2849 0.2764 -179.9237 179.2195 -0.9806 128.8113 -51.6916 -111.1535 68.3436 5.115 -175.3879 1.5351 -178.7062 -177.8309 1.9277 0.1686 -179.5392 -179.6344 0.6579 179.1325 0.4295 -0.3478 -179.0508 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00252 0.00287 0.00336 0.00345 0.00383 0.00562 0.00607 0.00618 0.00765 0.00920 0.01080 0.01167 0.01186 0.01243 0.01451 0.01519 0.01897 0.02118 0.02307 0.02365 0.02680 0.03154 0.03226 0.03724 0.03784 0.03887 0.03907 0.04002 0.04236 0.04391 0.04542 0.04590 0.04601 0.04673 0.04695 0.04842 0.05163 0.05186 0.05371 0.05515 0.05768 0.05974 0.06500 0.06602 0.07120 0.07182 0.07563 0.07907 0.08758 0.08807 0.09151 0.09581 0.09873 0.10047 0.10521 0.10634 0.10719 0.10763 0.11103 0.11429 0.11941 0.12204 0.12666 0.13057 0.13430 0.14140 0.14423 0.16055 0.16210 0.16732 0.17309 0.19001 0.19373 0.20289 0.20961 0.21061 0.21396 0.22251 0.22425 0.23026 0.23557 0.23806 0.24080 0.24314 0.24629 0.26190 0.27124 0.27598 0.29108 0.30207 0.30535 0.30801 0.31184 0.32110 0.32348 0.32489 0.32872 0.32910 0.33056 0.33110 0.33443 0.33450 0.33575 0.33705 0.33849 0.33934 0.34163 0.34206 0.34461 0.34577 0.34824 0.35129 0.35308 0.35450 0.35520 0.35611 0.36236 0.37077 0.37082 0.37342 0.37540 0.37750 0.37972 0.39210 0.42855 0.43329 0.44775 0.45758 0.46062 0.46496 0.52403 0.54196 0.57602 0.61250 0.62164 0.82295 0.85443 0.94685 Angle between quadratic step and forces= 73.12 degrees. 1 2 0.00085786 0.00000067 0.00000022 0.00000002 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.53810 2.74879 2.58995 2.56884 2.27789 2.29508 2.78945 2.80134 2.59329 2.70164 2.62537 2.61555 2.46884 2.61780 2.90221 2.90514 2.06154 2.89135 2.06184 2.06446 2.81380 2.05598 2.06680 2.06622 2.06408 2.06869 2.57382 2.87821 2.05994 2.06160 2.91064 2.07296 2.06444 2.70524 2.03801 2.84283 2.07331 2.06776 2.57814 2.03314 2.03603 2.56995 2.03766 2.03440 2.03802 2.51677 2.06102 2.05035 2.05279 2.04866 1.87402 2.05286 2.14848 2.00283 2.16301 2.24751 1.85894 1.84743 1.97147 1.96011 1.86251 1.95045 1.87897 1.83044 1.95751 1.91879 1.86850 1.94193 1.92769 1.84469 1.97613 1.85836 1.93010 1.92063 1.90830 1.86675 2.17336 1.93766 2.17003 2.17136 2.08914 2.02219 1.95404 1.93013 1.94238 1.87752 1.87656 1.88005 2.04321 1.91121 2.32875 1.95024 1.80861 1.89139 1.94594 1.94513 1.91725 1.99137 1.86865 1.90071 1.91390 1.92054 1.86380 1.86200 2.19427 2.22676 1.97999 1.87981 1.92170 1.90344 1.91706 1.85737 1.84171 2.11327 2.32815 1.94580 2.12299 2.21414 1.85180 2.22599 2.20539 1.92567 2.02588 2.33164 1.93038 2.11857 2.23423 2.18834 2.01556 2.07925 2.11284 2.13311 2.03702 0.04017 3.11400 -1.39223 2.79361 0.75757 -3.12440 0.01268 -0.00957 3.12791 -0.94641 1.27894 -3.00778 1.75622 -2.30161 -0.30515 -0.91815 -3.03094 1.23032 2.62631 0.51352 -1.50840 -2.57041 0.60511 0.14360 -2.96406 0.55495 -2.61886 -2.38483 0.72454 -3.00774 0.12447 -0.02987 3.10234 2.99104 -0.12786 0.02379 -3.09511 -0.00724 3.11021 -0.01266 3.13282 -1.01276 1.15759 -3.12986 3.04001 -1.07282 0.92292 1.03896 -3.07387 -1.07813 0.90577 -2.30343 -3.14094 -0.06695 -1.11020 1.96379 1.09057 -3.09912 -1.01014 -1.06689 1.02661 3.11560 -3.10990 -1.01641 1.07258 1.79295 -1.34279 -2.41298 0.73446 -0.36751 2.77994 -0.01080 -3.13438 3.12526 0.00168 -0.99574 -3.11667 1.15733 1.01911 -1.10182 -3.11100 -3.11475 1.04751 -0.96167 -1.08370 3.09110 1.07268 1.01204 -1.09635 -3.11478 3.05719 0.94881 -1.06962 0.00482 -3.14026 3.12797 -0.01712 2.24818 -0.90219 -1.93999 1.19282 0.08927 -3.06110 0.02679 -3.11901 -3.10374 0.03365 0.00294 -3.13355 -3.13521 0.01148 3.12645 0.00750 -0.00607 -3.12503 -0.00002 -0.00001 0.00001 -0.00001 -0.00004 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00003 -0.00003 -0.00003 -0.00004 -0.00003 -0.00002 -0.00000 0.00001 0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00001 0.00001 0.00002 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00000 -0.00001 0.00000 -0.00003 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00003 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00002 0.00001 -0.00002 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00002 0.00001 0.00002 -0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00004 0.00003 -0.00003 -0.00006 -0.00001 -0.00005 0.00003 -0.00014 0.00016 -0.00009 -0.00014 -0.00001 -0.00014 -0.00009 -0.00006 -0.00001 0.00002 0.00003 0.00004 0.00005 0.00001 -0.00003 0.00000 -0.00000 -0.00001 0.00001 0.00004 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00003 0.00002 0.00007 -0.00002 0.00003 0.00011 0.00001 0.00002 0.00000 0.00001 0.00000 0.00001 0.00005 -0.00001 -0.00003 0.00001 -0.00006 0.00000 0.00007 0.00019 0.00011 0.00002 -0.00010 0.00004 0.00001 -0.00011 0.00009 0.00005 -0.00007 -0.00008 0.00013 0.00008 0.00012 -0.00005 -0.00003 -0.00009 -0.00003 0.00016 0.00001 -0.00015 -0.00004 0.00001 -0.00000 0.00004 -0.00005 0.00001 0.00003 -0.00001 -0.00003 0.00000 0.00001 0.00009 -0.00008 0.00001 -0.00005 -0.00003 -0.00000 0.00003 0.00003 0.00012 -0.00005 -0.00012 0.00009 -0.00008 -0.00002 0.00004 -0.00000 0.00005 0.00009 -0.00018 -0.00001 0.00003 -0.00002 0.00006 0.00009 -0.00001 -0.00002 0.00001 -0.00015 -0.00005 0.00011 -0.00007 0.00001 0.00004 -0.00004 -0.00000 -0.00002 0.00002 0.00001 -0.00006 0.00005 -0.00001 0.00001 -0.00000 -0.00009 0.00008 0.00000 0.00009 -0.00017 0.00008 0.00010 0.00012 -0.00030 -0.00025 -0.00019 -0.00004 0.00002 -0.00010 -0.00002 -0.00003 -0.00013 0.00010 0.00098 0.00087 0.00110 0.00028 0.00022 0.00029 -0.00067 -0.00072 -0.00065 -0.00161 -0.00124 -0.00064 -0.00027 0.00165 0.00131 0.00198 0.00164 0.00015 0.00018 -0.00014 -0.00010 -0.00015 -0.00039 0.00013 -0.00010 -0.00007 0.00018 -0.00002 -0.00006 0.00006 0.00016 0.00015 0.00008 0.00018 0.00017 0.00000 0.00010 0.00010 -0.00031 -0.00028 -0.00043 -0.00041 -0.00048 -0.00046 0.00018 0.00008 0.00009 -0.00001 -0.00011 -0.00010 0.00011 0.00002 0.00003 -0.00029 -0.00037 -0.00020 -0.00028 -0.00022 -0.00030 0.00006 0.00002 0.00014 0.00009 -0.00030 -0.00038 -0.00019 -0.00020 -0.00028 -0.00009 -0.00032 -0.00040 -0.00022 0.00019 0.00011 0.00025 0.00026 0.00018 0.00032 0.00014 0.00006 0.00019 -0.00012 0.00002 -0.00008 0.00006 0.00051 0.00044 0.00065 0.00058 0.00047 0.00040 0.00010 0.00014 0.00005 0.00009 0.00014 0.00004 0.00000 -0.00010 -0.00005 -0.00003 0.00002 0.00004 -0.00003 -0.00004 0.00003 -0.00003 -0.00006 -0.00001 -0.00005 0.00003 -0.00014 0.00016 -0.00009 -0.00014 -0.00001 -0.00014 -0.00009 -0.00006 -0.00001 0.00002 0.00003 0.00004 0.00005 0.00001 -0.00003 0.00000 -0.00000 -0.00001 0.00001 0.00004 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00003 0.00002 0.00007 -0.00002 0.00003 0.00011 0.00001 0.00002 0.00000 0.00001 0.00000 0.00001 0.00005 -0.00001 -0.00003 0.00001 -0.00006 0.00000 0.00007 0.00019 0.00011 0.00002 -0.00010 0.00004 0.00001 -0.00011 0.00009 0.00005 -0.00007 -0.00008 0.00013 0.00008 0.00012 -0.00005 -0.00003 -0.00009 -0.00003 0.00016 0.00001 -0.00015 -0.00004 0.00001 -0.00000 0.00004 -0.00005 0.00001 0.00003 -0.00001 -0.00003 0.00000 0.00001 0.00009 -0.00008 0.00001 -0.00005 -0.00003 -0.00000 0.00003 0.00003 0.00012 -0.00005 -0.00012 0.00009 -0.00008 -0.00002 0.00004 -0.00000 0.00005 0.00009 -0.00018 -0.00001 0.00003 -0.00002 0.00006 0.00009 -0.00001 -0.00002 0.00001 -0.00015 -0.00005 0.00011 -0.00007 0.00001 0.00004 -0.00004 -0.00000 -0.00002 0.00002 0.00001 -0.00006 0.00005 -0.00001 0.00001 -0.00000 -0.00009 0.00008 0.00000 0.00009 -0.00017 0.00008 0.00010 0.00012 -0.00030 -0.00025 -0.00019 -0.00004 0.00002 -0.00010 -0.00002 -0.00003 -0.00013 0.00010 0.00098 0.00087 0.00110 0.00028 0.00022 0.00029 -0.00067 -0.00072 -0.00065 -0.00161 -0.00124 -0.00064 -0.00027 0.00165 0.00131 0.00198 0.00164 0.00015 0.00018 -0.00014 -0.00010 -0.00015 -0.00039 0.00013 -0.00010 -0.00007 0.00018 -0.00002 -0.00006 0.00006 0.00016 0.00015 0.00008 0.00018 0.00017 0.00000 0.00010 0.00010 -0.00031 -0.00028 -0.00043 -0.00041 -0.00048 -0.00046 0.00018 0.00008 0.00009 -0.00001 -0.00011 -0.00010 0.00011 0.00002 0.00003 -0.00029 -0.00037 -0.00020 -0.00028 -0.00022 -0.00030 0.00006 0.00002 0.00014 0.00009 -0.00030 -0.00038 -0.00019 -0.00020 -0.00028 -0.00009 -0.00032 -0.00040 -0.00022 0.00019 0.00011 0.00025 0.00026 0.00018 0.00032 0.00014 0.00006 0.00019 -0.00012 0.00002 -0.00008 0.00006 0.00051 0.00044 0.00065 0.00058 0.00047 0.00040 0.00010 0.00014 0.00005 0.00009 0.00014 0.00004 0.00000 -0.00010 -0.00005 -0.00003 0.00002 0.00004 2.53807 2.74875 2.58998 2.56880 2.27783 2.29507 2.78941 2.80136 2.59316 2.70180 2.62528 2.61541 2.46883 2.61766 2.90213 2.90509 2.06153 2.89137 2.06187 2.06451 2.81385 2.05600 2.06677 2.06623 2.06408 2.06868 2.57383 2.87825 2.05994 2.06159 2.91064 2.07298 2.06443 2.70527 2.03803 2.84289 2.07329 2.06778 2.57824 2.03315 2.03605 2.56996 2.03767 2.03440 2.03803 2.51683 2.06102 2.05032 2.05280 2.04860 1.87402 2.05293 2.14867 2.00295 2.16303 2.24741 1.85898 1.84743 1.97136 1.96020 1.86256 1.95038 1.87889 1.83057 1.95759 1.91891 1.86846 1.94189 1.92760 1.84465 1.97629 1.85837 1.92995 1.92059 1.90831 1.86675 2.17339 1.93761 2.17004 2.17139 2.08913 2.02216 1.95404 1.93014 1.94247 1.87744 1.87657 1.88000 2.04319 1.91121 2.32878 1.95028 1.80873 1.89134 1.94582 1.94522 1.91717 1.99135 1.86869 1.90071 1.91395 1.92064 1.86362 1.86199 2.19430 2.22674 1.98006 1.87989 1.92169 1.90342 1.91707 1.85722 1.84167 2.11338 2.32809 1.94581 2.12303 2.21410 1.85180 2.22597 2.20541 1.92568 2.02581 2.33168 1.93037 2.11858 2.23423 2.18825 2.01564 2.07926 2.11293 2.13294 2.03710 0.04026 3.11412 -1.39253 2.79337 0.75738 -3.12444 0.01271 -0.00967 3.12789 -0.94643 1.27881 -3.00768 1.75720 -2.30074 -0.30404 -0.91787 -3.03072 1.23062 2.62565 0.51280 -1.50905 -2.57202 0.60387 0.14297 -2.96433 0.55661 -2.61755 -2.38285 0.72618 -3.00759 0.12465 -0.03000 3.10224 2.99089 -0.12825 0.02392 -3.09522 -0.00731 3.11039 -0.01268 3.13276 -1.01271 1.15775 -3.12971 3.04009 -1.07264 0.92309 1.03896 -3.07376 -1.07803 0.90546 -2.30371 -3.14137 -0.06736 -1.11068 1.96333 1.09074 -3.09904 -1.01005 -1.06690 1.02651 3.11550 -3.10979 -1.01639 1.07261 1.79266 -1.34315 -2.41318 0.73419 -0.36773 2.77964 -0.01074 -3.13437 3.12540 0.00177 -0.99604 -3.11705 1.15714 1.01891 -1.10210 -3.11110 -3.11507 1.04711 -0.96189 -1.08350 3.09122 1.07292 1.01230 -1.09616 -3.11446 3.05733 0.94886 -1.06943 0.00470 -3.14024 3.12789 -0.01705 2.24869 -0.90175 -1.93935 1.19340 0.08974 -3.06070 0.02689 -3.11887 -3.10368 0.03374 0.00308 -3.13351 -3.13521 0.01138 3.12640 0.00747 -0.00605 -3.12498 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000044 0.000010 0.004386 0.000858 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.109214e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.7882718572 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 -0.0616327525 0.000000 4.000500 0.000000 2.256562 3.141577 0.000000 4.801636 5.132048 5.806384 0.000000 2.824330 3.369387 3.519722 2.289540 0.000000 3.755595 5.729621 5.085858 2.288977 2.374611 0.000000 4.262624 7.376339 5.903501 4.420564 4.257194 2.224221 0.000000 2.376675 3.413119 2.430382 3.581132 1.476115 2.901517 4.293633 0.000000 3.725898 3.371379 2.820631 4.277589 2.511169 3.999655 5.503162 1.535786 0.000000 3.622288 2.439822 3.923903 2.706513 1.482403 3.704500 5.665133 2.530881 3.030514 0.000000 1.343105 3.216834 1.205407 4.753359 2.502985 3.932447 4.822831 1.537336 2.544019 3.196615 0.000000 3.711699 4.650142 4.764009 1.214507 1.372313 1.429647 3.606318 2.504907 3.449475 2.405076 3.663049 0.000000 4.917358 4.460842 4.333356 3.950913 3.007340 3.927174 5.607906 2.544029 1.530037 3.546600 3.907539 3.401700 0.000000 3.335889 1.370540 3.336036 4.107545 2.481011 4.770773 6.438030 2.998863 3.494749 1.488998 2.926058 3.658515 4.462659 0.000000 1.454599 4.644651 2.712083 6.150783 4.213928 5.103657 5.245186 3.742305 4.933942 4.786220 2.390966 5.110645 6.248090 4.132919 0.000000 2.465133 5.798552 3.182601 7.189349 5.239592 5.762855 5.426631 4.445446 5.498410 6.020311 3.126543 6.052786 6.797115 5.464608 1.523083 0.000000 3.276417 2.231576 3.674996 4.895366 3.359191 5.370760 6.743361 3.852478 4.618566 2.619243 3.316713 4.424420 5.703882 1.362005 3.644361 5.108748 0.000000 2.996002 6.824152 4.175886 7.149047 5.496288 5.354542 4.461154 4.752742 5.923967 6.555132 3.806156 5.997180 6.994373 6.313155 2.570553 1.540247 6.070874 0.000000 5.067475 6.986530 6.318245 2.872817 3.630624 1.389287 2.260611 4.075891 4.924379 4.875448 5.208932 2.488252 4.478417 6.067673 6.378844 6.885979 6.724478 6.262993 0.000000 3.165156 6.096036 4.847837 3.511685 3.012467 1.384090 1.306453 3.161514 4.499071 4.403088 3.699138 2.537308 4.775849 5.132955 4.312191 4.773487 5.459372 4.147030 2.222319 0.000000 3.938644 2.232062 3.687075 6.215018 4.482355 6.589066 7.855082 4.625104 5.130499 3.719692 3.790719 5.684320 6.381273 2.241422 3.923744 5.236255 1.431552 6.464038 7.959269 6.588503 0.000000 4.299178 1.359370 3.357456 6.274712 4.435407 6.719396 8.149533 4.365125 4.457595 3.592089 3.707303 5.739228 5.698679 2.199744 4.511368 5.650639 2.231288 6.890652 8.042406 6.875114 1.359961 0.000000 5.271906 7.849784 6.703682 4.112680 4.536200 2.192233 1.385280 4.734740 5.712879 5.896007 5.612580 3.569391 5.438907 6.922684 6.414432 6.679559 7.419153 5.780657 1.364292 2.148115 8.608217 8.787926 0.000000 3.637842 7.567283 5.306035 7.373541 6.030770 5.619794 4.466091 5.616191 6.963122 7.052344 4.757707 6.332281 7.951981 6.842253 3.108488 2.545439 6.401531 1.504358 6.461261 4.300651 6.928793 7.594231 5.851209 0.000000 4.041852 7.977596 5.993944 6.898323 5.948169 5.089355 3.667864 5.770981 7.205716 7.053427 5.219629 5.960263 7.993167 7.078681 3.890476 3.666303 6.704035 2.521322 5.756360 3.734420 7.463249 8.166310 5.021458 1.331820 0.000000 2.606648 4.500130 3.023684 3.729554 2.072500 2.391497 3.428653 1.090921 2.136614 3.416594 2.101111 2.563158 2.750713 4.018466 3.967608 4.394313 4.758281 4.351276 3.405714 2.477593 5.579097 5.403081 3.871357 5.218663 5.260485 0.000000 4.032152 2.506966 2.820623 4.615596 2.819240 4.752507 6.386938 2.166091 1.091079 2.780196 2.798260 3.940336 2.177692 2.959195 5.102699 5.825009 4.154816 6.485559 5.764997 5.282603 4.488800 3.629120 6.633001 7.502300 7.825085 3.045031 0.000000 3.937802 3.966162 2.626462 5.262655 3.419310 4.638959 5.792260 2.129885 1.092468 4.032593 2.686072 4.340268 2.168514 4.270470 4.973002 5.250957 5.260088 5.682671 5.498593 4.912155 5.574755 4.844982 6.097706 6.890289 7.271325 2.434738 1.740328 0.000000 4.217272 3.251672 4.887328 2.322615 2.072698 3.805759 5.801048 3.411544 4.036893 1.087979 4.067748 2.443891 4.337380 2.123983 5.328172 6.649394 2.890019 7.092883 4.880257 4.583986 4.158008 4.266653 5.946397 7.386082 7.233082 4.144324 3.840616 5.062725 0.000000 4.465754 2.515632 4.323369 3.007845 2.129292 4.229360 6.306934 2.893739 2.821882 1.093706 3.776484 2.898895 3.052789 2.119393 5.653724 6.793653 3.423867 7.346740 5.234168 5.105881 4.289226 3.834907 6.367408 7.966949 7.990483 3.785253 2.404994 3.873930 1.753275 0.000000 5.149320 4.386480 4.864004 3.156060 2.726943 3.707600 5.671699 2.838951 2.188073 3.038782 4.286716 2.901481 1.093398 4.203671 6.534626 7.276351 5.484465 7.473111 4.230089 4.782069 6.311767 5.712834 5.379976 8.274965 8.196606 3.161478 2.552805 3.088080 3.638349 2.431911 0.000000 5.829069 4.884979 4.910009 4.886631 4.020260 4.997479 6.624300 3.491643 2.170118 4.339620 4.704783 4.452195 1.092264 5.139831 7.088173 7.572683 6.429339 7.841564 5.447904 5.843353 6.953105 6.096170 6.398683 8.888182 8.996224 3.736480 2.517576 2.502413 5.147428 3.652450 1.763451 0.000000 5.052048 5.355447 4.732822 4.051001 3.337393 3.548091 4.968968 2.793615 2.180757 4.218188 4.192411 3.422331 1.094705 5.208478 6.408540 6.795123 6.356184 6.754980 3.850223 4.347245 7.117511 6.548372 4.687368 7.693066 7.640137 2.552196 3.089522 2.534303 4.916722 3.902241 1.764799 1.766137 0.000000 2.012755 5.200329 3.719991 6.187240 4.531300 5.192874 5.197784 4.371189 5.702374 5.066331 3.216331 5.242740 6.914820 4.464333 1.090071 2.173639 3.754414 2.831984 6.440639 4.320632 4.202414 5.042877 6.411901 2.798370 3.407900 4.546859 5.875530 5.869341 5.400074 6.045679 7.071312 7.825919 7.041974 0.000000 2.075137 4.087081 2.498789 6.539509 4.489371 5.798669 6.210376 4.023434 4.998874 4.750869 2.556859 5.568806 6.419771 3.795756 1.090951 2.173727 3.183082 3.516973 7.131194 5.184151 3.101591 3.692630 7.307310 4.106052 4.945397 4.489350 4.939272 5.035559 5.349785 5.550836 6.698097 7.164796 6.747056 1.784951 0.000000 3.382403 6.427405 3.974634 8.136140 6.198149 6.775828 6.355236 5.468687 6.486280 6.857246 4.072893 7.034255 7.833362 6.142613 2.122206 1.096965 5.594407 2.170826 7.905006 5.747896 5.536905 6.065923 7.652738 2.783787 4.050082 5.478819 6.719444 6.218289 7.445235 7.658470 8.301838 8.582007 7.871621 2.490860 2.470153 0.000000 2.758198 5.586025 2.649715 7.389715 5.295325 5.991118 5.811581 4.253925 5.043947 6.055884 2.926669 6.221359 6.390601 5.488741 2.142736 1.092452 5.326959 2.172318 7.094411 5.137892 5.307157 5.462830 6.963851 3.478053 4.560285 4.235552 5.357681 4.615008 6.826494 6.686832 6.999616 7.051440 6.418218 3.061785 2.465378 1.757566 0.000000 3.318886 3.270585 4.312015 4.788086 3.558700 5.208943 6.425906 4.254211 5.266123 3.022279 3.747198 4.375366 6.260766 2.175633 3.607892 5.130271 1.078468 5.936600 6.537610 5.192125 2.257375 3.279388 7.148245 6.014391 6.181143 5.005790 4.962968 5.937695 2.978187 3.986900 5.969025 7.089483 6.792933 3.403002 3.354230 5.568720 5.557462 0.000000 3.969628 7.639688 4.775087 8.085612 6.411566 6.189430 5.113990 5.521257 6.539728 7.500530 4.589132 6.911154 7.590674 7.247670 3.486680 2.145678 7.044933 1.097150 6.984696 4.979811 7.325652 7.667627 6.391950 2.131840 3.162904 5.045316 7.138941 6.137771 8.097135 8.228025 8.176674 8.361716 7.284025 3.828804 4.305515 2.490743 2.439332 6.973096 0.000000 2.696494 6.529320 3.920096 6.357605 4.793947 4.436457 3.550491 4.012203 5.184603 5.998835 3.362722 5.184829 6.115404 5.981054 2.840135 2.174471 5.955323 1.094210 5.278008 3.259030 6.506077 6.809202 4.809389 2.139555 2.649168 3.441892 5.873454 4.976214 6.553089 6.727941 6.600849 6.985703 5.783446 3.197611 3.827197 3.077050 2.518569 5.864261 1.754914 0.000000 5.878677 7.264981 6.945784 2.741726 3.999992 2.151968 3.321347 4.577036 5.179781 5.052038 5.874119 2.758565 4.441605 6.390068 7.247117 7.828859 7.174442 7.285066 1.075889 3.243473 8.428833 8.420241 2.244022 7.519157 6.818101 4.034841 5.962385 5.840384 4.974964 5.228420 4.024582 5.309413 3.842410 7.334778 7.920599 8.861897 7.980072 7.039881 8.005434 6.289713 0.000000 2.213193 5.552924 4.147254 3.915716 2.880738 2.154306 2.134579 2.913455 4.399896 4.162529 3.012402 2.854314 5.008971 4.593016 3.262165 3.819023 4.726054 3.357392 3.248281 1.077422 5.774000 6.166198 3.201479 3.518464 3.165102 2.448052 5.059078 4.760273 4.420319 4.996498 5.076959 6.068607 4.755187 3.245574 4.160120 4.761578 4.280420 4.438235 4.308096 2.619069 4.219280 0.000000 4.502382 3.271254 4.342292 7.145913 5.440664 7.427129 8.518136 5.544188 6.113521 4.745271 4.537624 6.604289 7.413729 3.288247 4.144306 5.384801 2.256796 6.698460 8.809707 7.291096 1.078282 2.179659 9.369046 7.058556 7.681167 6.437007 5.496732 6.472391 5.098549 5.356431 7.374656 7.985372 8.118389 4.302642 3.217672 5.471303 5.534804 2.746389 7.520999 6.908099 9.336893 6.396063 0.000000 5.090993 2.072032 3.746576 7.183240 5.303338 7.594301 8.999277 5.048088 4.883962 4.487592 4.360682 6.634486 6.131113 3.193905 5.198839 6.161673 3.300122 7.483555 8.891782 7.748402 2.242211 1.076556 9.633505 8.300360 8.973967 6.071420 3.971199 5.109868 5.221389 4.552671 6.249164 6.363655 7.024154 5.831090 4.297844 6.506684 5.825042 4.332680 8.159549 7.440133 9.249207 7.045047 2.742984 0.000000 6.276240 8.907812 7.677927 5.019299 5.593130 3.247975 2.153652 5.743536 6.633964 6.942704 6.620163 4.588052 6.245833 7.996186 7.360332 7.504115 8.494602 6.469660 2.199226 3.169942 9.682027 9.855520 1.078476 6.476812 5.565003 4.829575 7.591988 6.954231 6.968266 7.368378 6.211010 7.136462 5.397002 7.337787 8.289509 8.450941 7.784612 8.203671 6.968101 5.512966 2.768552 4.186276 10.432890 10.687960 0.000000 4.281501 8.028026 5.834201 8.227388 6.832364 6.602617 5.516679 6.442759 7.770931 7.722054 5.421694 7.216480 8.852902 7.341432 3.416455 2.816184 6.726651 2.205547 7.490462 5.311700 7.108642 7.878987 6.900996 1.090647 2.092256 6.154628 8.214535 7.679875 8.033811 8.669983 9.169815 9.770849 8.663046 2.975862 4.251013 2.614337 3.809535 6.301457 2.593984 3.089935 8.540660 4.468829 7.072243 8.545625 7.518849 0.000000 4.891191 8.715220 6.932883 7.431083 6.690233 5.755510 4.302383 6.675603 8.150345 7.717013 6.137971 6.605200 8.905368 7.734186 4.650362 4.536177 7.242681 3.504300 6.345906 4.453906 8.033103 8.855915 5.572838 2.107584 1.084997 6.205681 8.733806 8.280462 7.771337 8.700735 9.027259 9.933709 8.561267 3.972076 5.647637 4.753627 5.502375 6.590905 4.075996 3.730265 7.379623 3.950518 8.170679 9.701802 6.032019 2.422636 0.000000 3.929448 7.810204 5.875086 6.190653 5.412387 4.229554 2.609662 5.259037 6.671075 6.645295 4.982965 5.257443 7.294554 6.885112 4.162942 4.025660 6.707471 2.798999 4.763887 2.859324 7.591031 8.177155 3.956498 2.120477 1.086288 4.612634 7.389201 6.775810 6.821997 7.519867 7.481744 8.308962 6.847580 3.831159 5.248859 4.640215 4.765971 6.233651 3.452979 2.475901 5.832267 2.533186 7.953077 9.006161 4.486869 3.076695 1.848475 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2582792 0.2144905 0.1440531 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= 1.53D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 712 711 712 712 712 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26226789853 -1165.26226789835 0.000000000183 -1165.26226790 2 1.160502822114e+03 -7.466210029593e+03 2.765718300476e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 14851 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 78.71% of shell-pairs survive, threshold= 0.20 IRatSp=79. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 5.48D-14 1.00D-09 XBig12= 2.19D+02 4.68D+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= 5.55D+01 1.02D+00. 144 vectors produced by pass 2 Test12= 5.48D-14 1.00D-09 XBig12= 5.60D-01 6.77D-02. 144 vectors produced by pass 3 Test12= 5.48D-14 1.00D-09 XBig12= 2.68D-03 3.64D-03. 144 vectors produced by pass 4 Test12= 5.48D-14 1.00D-09 XBig12= 5.99D-06 1.99D-04. 125 vectors produced by pass 5 Test12= 5.48D-14 1.00D-09 XBig12= 9.32D-09 5.21D-06. 37 vectors produced by pass 6 Test12= 5.48D-14 1.00D-09 XBig12= 1.11D-11 2.45D-07. 3 vectors produced by pass 7 Test12= 5.48D-14 1.00D-09 XBig12= 1.14D-14 1.00D-08. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 885 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 237.11 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 263.869 19.321 253.680 11.379 -0.617 193.766 366.048 26.939 375.268 27.148 10.980 313.910 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT66385.100S Tue Jan 18 02:31:09 2022 9.83431818e-01 7.39541342e-01 2.76459144e-01 2.63869033e+02 1.93214734e+01 2.53679855e+02 1.13786789e+01 -6.16516593e-01 1.93766402e+02 -2.9896 -0.0005 -0.0003 0.0002 0.8231 4.0985 27.4098 35.3660 44.0842 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 27.4083 35.3614 44.0800 58.3205 61.6604 70.6370 73.6368 78.6975 84.1434 101.3827 108.2456 112.9998 129.2773 135.4636 159.3528 184.6941 195.5828 218.9215 244.3073 246.4569 262.0208 299.7720 323.6713 332.4516 343.9382 352.8442 376.9269 405.7121 422.4834 452.0769 498.5812 526.0728 562.9109 601.0805 611.9011 640.9534 644.6992 665.3353 672.9522 716.5527 752.0547 755.6751 761.4886 773.2931 784.8575 793.2820 835.3736 851.0299 857.7785 867.9762 877.3017 890.0268 890.9679 907.3989 907.9425 918.5914 920.4173 937.3745 946.9831 968.7737 971.2465 985.2161 1008.9430 1028.2325 1034.5566 1042.4490 1053.0511 1075.1162 1084.5775 1086.1212 1100.1190 1106.2779 1122.6267 1140.5447 1149.0692 1168.2757 1180.9576 1201.4710 1219.8082 1236.6921 1242.3683 1252.1357 1269.9117 1279.1909 1300.9011 1303.7694 1307.6302 1320.2541 1325.7674 1332.2811 1352.1000 1358.0127 1378.0646 1386.5793 1393.7306 1402.6051 1419.6343 1424.4555 1425.6441 1433.1104 1463.9345 1483.7410 1488.6469 1491.6368 1494.3053 1505.4657 1506.1853 1509.4402 1516.4997 1519.7729 1551.9066 1627.5114 1700.7723 1743.6629 1788.1410 3007.6969 3020.2376 3023.4384 3051.9482 3059.9071 3064.1822 3069.2709 3077.1923 3083.9350 3084.7976 3098.2805 3099.1466 3113.2214 3121.7118 3125.8088 3128.8803 3206.5523 3239.0699 3243.1827 3250.2720 3264.7033 3278.6711 3284.9308 4.6693 5.5906 4.4680 5.4041 4.0806 4.5115 4.1968 4.7607 5.2547 4.6389 4.9552 4.7617 2.9141 3.2222 3.6907 2.7918 2.5687 2.5547 4.2515 5.0868 1.7832 5.2298 2.9709 4.6115 2.8337 2.3316 2.8711 2.8004 6.1354 2.1125 3.1931 3.0707 4.5394 5.2202 2.9800 2.5300 1.8822 4.5827 4.2154 4.0440 1.3909 1.3213 2.8366 5.6411 1.6997 2.2523 1.3666 2.9928 2.6798 1.2961 2.5247 1.4053 1.3820 3.2278 4.1387 4.5544 2.6732 2.1741 2.7212 1.7704 2.2931 1.3915 2.4094 1.9944 1.7237 1.1753 2.2222 2.0413 1.6971 1.7171 1.9353 2.9932 1.9467 2.7185 1.9213 1.9136 3.5666 2.8811 2.9011 2.9137 1.3965 1.8166 1.3193 1.8944 1.3976 1.5598 2.4411 1.3595 1.2514 1.2073 1.7769 1.3621 1.6475 1.3972 1.4382 3.2402 1.3534 1.8726 1.4668 1.8616 1.1707 1.0860 1.0727 1.1238 1.0999 1.4559 1.5754 1.0956 1.8629 1.6703 4.4514 6.3041 4.3145 12.2792 11.6210 1.0669 1.0680 1.0375 1.0688 1.0934 1.0677 1.0600 1.0950 1.0928 1.0864 1.0996 1.0836 1.0987 1.0664 1.1095 1.0947 1.1163 1.0922 1.0943 1.0986 1.0986 1.1052 1.1039 0.0021 0.0041 0.0051 0.0108 0.0091 0.0133 0.0134 0.0174 0.0219 0.0281 0.0342 0.0358 0.0287 0.0348 0.0552 0.0561 0.0579 0.0721 0.1495 0.1820 0.0721 0.2769 0.1834 0.3003 0.1975 0.1710 0.2403 0.2716 0.6452 0.2544 0.4677 0.5007 0.8475 1.1112 0.6574 0.6124 0.4609 1.1952 1.1248 1.2234 0.4635 0.4446 0.9691 1.9875 0.6169 0.8351 0.5619 1.2771 1.1617 0.5753 1.1449 0.6559 0.6464 1.5658 2.0102 2.2643 1.3343 1.1255 1.4378 0.9790 1.2745 0.7958 1.4451 1.2424 1.0870 0.7525 1.4519 1.3902 1.1762 1.1935 1.3800 2.1583 1.4455 2.0836 1.4946 1.5389 2.9307 2.4504 2.5433 2.6255 1.2700 1.6781 1.2535 1.8264 1.3936 1.5621 2.4592 1.3962 1.2959 1.2626 1.9140 1.4800 1.8434 1.5827 1.6460 3.7557 1.6071 2.2387 1.7565 2.2527 1.4783 1.4086 1.4006 1.4732 1.4470 1.9442 2.1057 1.4708 2.5243 2.2730 6.3166 9.8383 7.3531 21.9961 21.8926 5.6865 5.7399 5.5876 5.8656 6.0320 5.9062 5.8834 6.1091 6.1236 6.0911 6.2189 6.1320 6.2740 6.1232 6.3870 6.3142 6.7627 6.7516 6.7816 6.8379 6.8988 6.9996 7.0184 0.0767 0.4070 0.6249 0.7635 0.0698 0.3903 0.6825 2.1225 0.7438 0.6913 3.6904 1.0863 0.6635 0.3628 0.2416 0.3683 0.5699 0.7222 2.1155 2.6862 1.8620 9.6375 5.9329 6.5336 0.5790 9.9451 3.7795 12.9978 3.6403 1.1476 7.1384 7.4307 5.2522 2.8727 10.3490 3.1753 13.6585 6.8066 10.4472 41.1424 48.7849 45.0667 3.1595 11.5983 6.7091 25.3174 18.4417 2.0231 19.5175 29.3394 9.1402 3.7735 0.7222 4.1768 15.0489 3.6777 12.9861 1.0088 15.8096 17.5235 5.1395 45.7952 45.5524 45.9123 44.0527 18.1380 9.3596 3.0585 11.1897 34.1074 9.3766 6.1274 54.1537 29.4997 10.8700 13.0841 55.0817 33.4934 147.0248 71.2664 3.5151 19.7221 10.0872 202.6857 21.1918 63.6147 23.8319 12.3534 24.6044 3.6784 102.5084 1.9144 17.4861 9.6782 12.0759 95.1155 12.3948 106.6335 39.8701 76.6295 3.6757 7.7028 8.6271 3.6436 13.0777 15.1988 50.2804 0.9876 22.4522 1.6351 16.0332 0.1065 7.1496 473.8707 186.1972 20.8955 23.7120 18.4163 16.6276 16.3559 4.7085 13.0703 12.1659 17.1988 3.8480 31.3233 29.4851 18.4116 16.5971 12.5273 2.2532 8.9921 2.5053 4.9565 0.0357 30.9368 0.1122 2.8943 -0.03 0.02 -0.08 0.02 -0.02 0.04 0.01 0.06 -0.12 0.05 -0.05 0.04 0.01 -0.00 -0.01 0.01 -0.02 -0.05 -0.01 -0.04 -0.11 -0.03 0.04 -0.03 -0.07 0.08 0.02 0.03 -0.03 0.04 -0.02 0.04 -0.08 0.02 -0.03 0.00 -0.09 0.09 0.07 0.03 -0.04 0.03 -0.04 0.02 -0.11 0.07 0.05 -0.05 0.06 -0.05 0.01 0.08 0.04 0.12 0.02 -0.03 -0.05 -0.00 -0.03 -0.08 0.05 -0.05 0.01 0.03 -0.03 0.03 0.00 -0.04 -0.10 -0.07 0.02 0.20 -0.12 0.00 0.27 -0.04 0.06 -0.06 -0.06 0.06 0.05 -0.09 0.11 -0.00 0.06 -0.06 0.05 0.00 -0.02 0.08 -0.06 0.05 0.10 -0.11 0.11 0.10 -0.10 0.11 0.04 -0.13 -0.00 -0.08 -0.04 0.01 -0.21 0.03 0.04 -0.10 0.17 0.08 -0.10 0.07 -0.06 -0.01 0.16 0.04 0.16 0.11 0.04 0.13 0.03 -0.03 -0.03 -0.01 -0.03 -0.09 0.07 -0.06 -0.01 0.02 -0.02 0.04 0.00 -0.05 -0.11 -0.14 0.03 0.20 -0.22 -0.01 0.33 -0.05 -0.01 0.28 -0.01 0.02 -0.07 0.03 -0.11 0.06 -0.02 0.03 -0.05 -0.05 0.10 -0.13 -0.02 0.04 -0.07 -0.02 0.02 0.00 -0.02 -0.04 0.19 -0.00 0.03 -0.06 -0.01 0.01 -0.07 -0.03 0.04 -0.09 -0.01 0.03 -0.06 -0.03 0.06 -0.08 -0.03 0.01 -0.08 0.04 0.01 0.02 -0.02 0.02 -0.07 -0.03 0.02 -0.08 0.13 0.07 0.09 -0.02 -0.01 -0.05 0.03 -0.01 0.09 -0.04 0.00 0.07 0.17 -0.02 0.18 0.10 -0.13 0.15 0.03 -0.04 0.20 -0.04 -0.08 -0.05 -0.09 -0.10 0.03 -0.00 0.03 -0.05 -0.01 -0.01 -0.08 0.01 0.01 -0.07 -0.05 0.14 -0.13 -0.06 -0.03 -0.16 -0.04 0.02 -0.09 -0.04 -0.00 -0.09 -0.03 0.03 -0.08 -0.03 0.01 -0.07 -0.03 0.03 -0.08 -0.06 0.01 -0.10 -0.01 0.05 -0.08 0.16 0.16 0.08 -0.02 0.01 -0.06 0.01 -0.01 -0.01 0.06 0.00 0.07 -0.09 0.02 0.03 0.24 -0.01 0.25 0.10 -0.22 0.20 0.06 -0.07 0.29 -0.03 -0.10 -0.11 -0.11 -0.14 0.03 -0.10 -0.07 0.09 -0.01 -0.03 0.00 -0.09 0.10 0.05 -0.05 -0.04 0.04 0.00 0.04 -0.09 -0.02 -0.01 0.01 -0.01 -0.04 -0.01 -0.03 -0.10 0.08 -0.04 -0.03 0.01 -0.04 -0.04 0.01 -0.01 0.03 0.01 -0.04 -0.03 0.03 -0.01 0.00 -0.04 -0.03 -0.05 -0.02 -0.04 0.04 0.01 0.09 -0.04 -0.08 0.17 0.09 -0.12 -0.04 0.02 -0.02 0.15 0.16 -0.03 0.02 -0.07 -0.04 -0.03 -0.06 0.06 -0.08 0.06 0.01 -0.12 0.11 0.05 0.01 -0.11 0.02 0.13 0.03 -0.04 0.09 -0.03 0.08 -0.04 -0.04 0.00 -0.04 -0.03 0.03 -0.06 -0.06 0.02 0.01 0.02 0.01 0.01 0.04 0.01 -0.01 -0.03 -0.02 -0.04 -0.06 -0.02 -0.04 -0.06 -0.04 0.09 -0.08 -0.08 0.12 -0.12 -0.12 0.21 0.07 -0.22 0.19 0.16 -0.12 -0.00 -0.02 -0.05 0.20 0.28 -0.08 0.12 0.19 0.11 0.05 -0.06 -0.09 -0.06 -0.04 0.09 -0.09 0.06 -0.01 -0.16 0.15 0.08 0.02 -0.14 0.02 0.15 -0.02 -0.17 0.07 -0.13 0.06 0.06 0.01 0.21 -0.07 0.03 0.03 0.05 -0.10 -0.08 0.04 0.00 -0.07 0.05 -0.14 0.16 -0.04 0.02 -0.04 -0.01 -0.09 0.04 -0.03 -0.10 -0.06 -0.01 0.01 -0.03 0.03 0.01 -0.06 -0.06 0.05 -0.09 -0.01 0.01 -0.03 0.00 -0.08 0.06 0.07 0.00 -0.08 -0.04 0.04 -0.01 -0.03 0.02 0.01 0.01 0.07 0.01 -0.09 0.14 0.13 -0.01 0.14 0.01 -0.00 -0.10 0.04 -0.02 -0.10 -0.02 -0.02 0.06 0.15 0.06 -0.09 0.02 -0.01 -0.11 -0.02 0.02 0.16 0.00 0.10 0.15 -0.07 0.00 0.00 -0.00 0.02 0.03 -0.09 0.05 -0.01 -0.05 -0.10 0.12 -0.12 -0.05 -0.00 -0.16 0.07 0.02 -0.09 0.09 0.01 -0.09 0.08 -0.03 -0.06 -0.04 0.02 0.01 -0.02 -0.01 -0.02 0.07 0.06 0.00 0.01 0.05 0.01 -0.16 0.26 0.21 0.01 0.17 0.00 -0.05 0.14 0.01 0.01 -0.10 0.08 -0.03 -0.10 -0.03 -0.04 0.11 0.26 0.13 -0.19 -0.01 -0.02 -0.11 -0.04 -0.02 0.18 0.05 0.12 0.15 -0.08 0.14 0.13 -0.12 0.03 0.02 -0.06 -0.10 0.06 0.06 -0.01 -0.03 -0.02 0.04 -0.09 0.04 0.00 -0.00 -0.06 0.03 -0.02 -0.03 0.05 0.03 -0.04 -0.02 -0.00 -0.07 -0.07 -0.03 -0.04 0.01 -0.00 -0.05 0.01 -0.01 -0.05 0.03 -0.05 -0.02 -0.13 -0.02 -0.06 0.00 0.01 -0.03 0.02 0.03 0.02 0.01 -0.04 0.05 0.04 -0.02 -0.06 0.02 -0.06 0.03 0.05 0.01 0.21 0.04 -0.01 -0.17 -0.04 0.03 0.01 -0.12 0.08 0.09 0.06 0.04 0.20 0.02 0.03 0.05 0.05 0.07 -0.03 -0.03 0.02 -0.10 -0.06 -0.07 -0.00 -0.09 -0.03 -0.04 0.03 0.01 -0.05 0.01 -0.00 -0.04 -0.09 -0.03 -0.05 -0.18 -0.05 -0.03 -0.15 0.01 -0.12 0.02 0.07 0.02 0.02 0.04 0.03 0.00 -0.03 0.12 0.01 -0.09 0.05 0.11 -0.06 -0.13 0.01 -0.13 0.07 0.03 -0.08 -0.06 0.04 0.00 0.37 0.04 -0.04 -0.33 -0.03 0.03 0.01 -0.20 0.12 0.16 0.07 0.07 0.34 0.00 0.07 0.13 0.05 0.13 -0.01 0.06 0.04 -0.11 -0.05 -0.04 -0.00 0.01 0.02 0.04 0.00 0.00 -0.06 0.00 0.08 -0.15 0.03 -0.04 0.02 0.02 -0.02 -0.01 0.00 -0.09 0.12 0.00 -0.02 0.01 -0.01 0.02 0.03 0.05 -0.05 0.05 -0.02 -0.02 -0.02 0.02 0.02 -0.06 -0.00 0.02 0.07 0.04 -0.04 0.02 -0.08 -0.03 -0.01 -0.04 -0.04 0.02 0.05 -0.08 -0.04 -0.07 0.03 0.01 0.05 -0.06 -0.03 -0.01 -0.04 0.08 0.03 -0.05 -0.06 0.00 0.01 -0.01 0.04 -0.10 0.05 -0.07 0.21 0.06 0.01 0.28 -0.12 -0.00 -0.03 -0.01 -0.00 0.02 0.05 -0.03 0.04 0.02 0.08 -0.09 0.07 0.04 -0.02 0.10 0.00 -0.00 0.08 -0.00 0.04 0.08 -0.00 0.02 0.07 -0.12 -0.04 0.01 -0.08 -0.02 -0.05 0.01 -0.03 0.07 -0.05 -0.10 0.01 0.08 -0.14 -0.07 -0.02 -0.04 0.08 -0.12 0.01 -0.11 0.08 -0.05 -0.10 -0.04 -0.02 0.11 0.03 -0.07 -0.10 -0.02 0.05 0.00 0.06 -0.14 0.06 -0.12 0.28 0.24 0.00 0.40 -0.07 0.07 0.22 -0.29 -0.00 -0.09 -0.04 -0.07 -0.00 0.08 -0.03 0.00 -0.02 -0.04 -0.02 0.01 0.02 -0.05 0.02 -0.00 0.03 0.02 0.03 0.10 -0.04 0.06 -0.05 0.02 0.14 -0.00 -0.02 0.00 -0.03 -0.03 -0.00 -0.04 -0.01 -0.01 -0.02 0.02 0.27 -0.03 -0.03 -0.01 -0.02 0.01 -0.03 -0.09 -0.11 0.02 -0.04 -0.11 0.00 -0.01 0.03 0.02 -0.01 -0.04 -0.04 0.06 0.01 0.04 0.05 -0.01 -0.07 0.02 0.11 -0.11 0.03 0.14 -0.03 0.11 -0.03 -0.06 0.05 0.03 -0.10 0.09 0.03 0.07 -0.09 0.06 0.12 0.08 -0.05 0.12 -0.03 -0.01 -0.03 0.02 -0.05 0.02 -0.06 -0.08 0.27 0.00 -0.05 0.34 0.01 -0.07 0.30 -0.12 0.02 -0.07 -0.14 -0.10 -0.03 -0.09 -0.17 0.03 -0.05 -0.15 0.06 -0.01 -0.12 0.05 -0.02 -0.01 0.08 -0.03 0.01 0.01 -0.02 -0.07 -0.08 0.05 0.03 0.07 0.03 -0.00 -0.08 0.04 0.15 -0.17 0.05 0.20 -0.04 0.14 -0.05 -0.08 0.07 0.07 -0.16 0.13 0.08 -0.08 0.07 -0.02 0.02 0.04 0.00 -0.13 0.05 0.09 -0.09 0.03 0.10 0.01 -0.05 0.13 -0.05 0.06 -0.02 -0.03 -0.03 0.05 -0.05 -0.05 -0.01 -0.00 0.03 0.00 0.04 0.01 -0.04 -0.07 0.06 -0.07 -0.03 0.03 0.04 -0.02 -0.01 0.06 0.10 -0.01 -0.11 -0.01 0.03 -0.05 0.01 0.04 0.03 -0.01 0.02 0.04 0.21 -0.05 -0.18 -0.01 0.01 0.02 -0.03 -0.04 -0.04 -0.04 -0.04 0.07 0.22 -0.08 -0.12 0.00 -0.02 0.04 -0.04 -0.06 -0.08 0.00 0.01 0.01 0.02 0.01 -0.01 0.01 0.01 0.04 0.03 0.05 -0.06 0.04 -0.04 -0.01 -0.11 0.12 -0.08 -0.07 0.01 -0.13 0.11 0.03 -0.13 0.12 -0.02 -0.13 0.11 -0.07 -0.10 0.02 0.06 0.03 0.00 0.05 0.05 -0.02 0.02 0.05 -0.02 0.02 0.04 0.36 -0.09 -0.31 -0.02 -0.00 0.02 -0.00 0.01 0.01 -0.02 -0.04 -0.08 -0.04 -0.03 0.12 0.37 -0.15 -0.20 -0.08 -0.01 0.13 -0.05 -0.07 -0.15 -0.01 0.02 0.03 0.03 0.02 -0.01 0.03 0.01 -0.02 0.05 0.04 -0.02 -0.10 0.01 0.06 0.23 0.02 -0.19 -0.03 -0.03 0.05 -0.00 -0.00 -0.02 -0.01 -0.01 0.03 -0.00 -0.01 0.10 0.06 0.04 -0.04 0.03 0.03 -0.03 -0.02 -0.02 -0.07 0.13 0.03 -0.10 -0.02 -0.01 0.03 -0.09 0.07 0.06 -0.01 -0.02 -0.03 0.01 0.05 0.02 -0.01 -0.03 0.06 0.01 -0.01 -0.02 -0.00 -0.08 0.02 -0.04 -0.02 -0.15 0.01 -0.00 0.17 -0.09 0.03 0.09 -0.16 0.04 0.14 -0.04 -0.02 -0.10 0.03 -0.06 0.00 0.08 -0.05 -0.06 0.06 0.11 -0.01 0.04 -0.07 -0.06 0.10 0.09 -0.05 -0.06 0.02 -0.08 -0.03 -0.05 -0.10 -0.16 0.01 0.08 -0.11 0.05 0.07 -0.10 0.17 0.09 -0.00 0.08 0.03 0.00 0.08 0.03 -0.04 -0.02 0.14 -0.02 -0.09 0.06 0.07 -0.03 -0.07 -0.04 -0.12 0.02 0.02 -0.09 -0.02 -0.06 -0.01 -0.29 0.02 0.01 0.29 -0.10 0.05 0.13 -0.24 0.07 0.22 -0.05 -0.03 -0.20 0.02 -0.04 0.04 0.11 -0.04 -0.07 0.09 -0.07 -0.10 -0.14 0.01 0.19 -0.03 0.01 0.05 0.21 -0.05 -0.13 -0.00 0.02 -0.03 0.02 -0.01 0.00 0.01 0.02 -0.01 0.00 0.01 -0.07 0.01 -0.02 0.01 0.00 -0.05 0.01 0.03 -0.03 0.02 0.04 -0.02 0.02 0.01 0.01 -0.01 0.04 -0.06 -0.07 0.03 -0.04 0.01 -0.08 -0.01 0.08 -0.07 0.10 0.01 0.07 -0.07 -0.05 -0.10 0.20 0.00 0.02 0.02 0.06 -0.00 0.01 -0.09 0.03 -0.04 -0.03 -0.03 0.01 0.03 0.02 0.02 0.02 -0.03 0.02 -0.09 -0.04 -0.08 0.05 0.01 -0.02 -0.00 0.01 -0.00 0.04 -0.03 -0.09 0.03 0.04 -0.05 0.03 0.01 -0.02 0.04 0.09 -0.02 -0.08 0.03 -0.08 -0.06 0.04 -0.11 -0.11 -0.06 -0.06 0.07 -0.07 -0.04 0.08 0.00 0.09 -0.05 -0.11 0.13 0.04 0.12 -0.12 -0.10 -0.11 0.37 -0.11 -0.17 0.25 0.18 0.04 0.02 0.13 -0.01 0.01 -0.12 0.04 -0.06 -0.06 -0.08 0.05 0.07 0.02 0.02 0.05 0.03 -0.06 -0.27 0.01 -0.22 -0.03 -0.09 -0.01 0.23 -0.03 0.01 -0.04 -0.03 -0.02 0.02 -0.02 0.03 -0.05 -0.09 0.13 -0.15 -0.02 -0.02 0.03 -0.03 0.00 0.07 -0.10 -0.06 -0.18 -0.01 0.02 0.01 0.04 0.11 0.02 -0.03 -0.01 0.01 -0.03 0.02 -0.04 -0.05 0.04 -0.02 0.17 0.10 0.09 -0.02 -0.02 0.01 -0.02 0.02 0.02 0.03 -0.03 0.09 -0.00 -0.02 0.00 0.03 -0.04 0.09 0.01 -0.02 0.14 -0.09 -0.02 -0.12 -0.00 -0.03 0.01 -0.02 -0.02 0.02 -0.04 -0.06 -0.01 0.09 -0.06 0.05 0.23 -0.10 -0.05 -0.01 0.00 0.02 0.03 0.18 -0.01 0.02 0.14 -0.00 -0.04 -0.00 0.01 -0.02 -0.02 -0.01 0.16 0.07 0.10 0.25 0.18 0.07 0.20 0.03 0.16 -0.06 0.07 0.05 -0.01 0.01 -0.01 0.03 -0.02 0.14 0.06 -0.08 0.07 0.01 -0.02 -0.01 0.01 -0.03 0.07 0.04 -0.03 0.10 0.06 -0.01 0.27 -0.12 -0.02 -0.19 0.00 -0.03 0.01 -0.03 -0.02 0.03 -0.03 -0.08 -0.01 0.05 -0.04 0.09 0.30 -0.11 -0.10 0.25 -0.11 -0.09 -0.07 0.06 -0.05 0.02 -0.04 0.02 -0.14 0.02 -0.00 0.05 -0.09 0.03 0.00 -0.02 -0.04 0.00 0.00 -0.15 0.09 0.07 0.17 -0.05 0.01 -0.06 -0.04 0.08 -0.03 0.04 -0.09 0.06 -0.10 0.03 -0.05 0.02 -0.04 -0.05 0.12 0.04 -0.09 0.03 -0.08 0.03 -0.06 0.07 0.02 -0.02 0.05 0.07 -0.03 -0.09 0.02 -0.03 0.08 0.08 -0.02 0.03 -0.12 0.07 0.03 0.04 -0.07 -0.05 0.01 -0.03 -0.02 0.01 0.03 0.07 0.07 0.02 -0.01 0.03 0.16 -0.10 -0.02 -0.05 -0.02 -0.07 -0.05 0.21 0.04 -0.16 0.03 -0.02 0.11 -0.16 0.08 0.00 -0.04 0.16 0.25 0.08 -0.09 0.12 0.10 -0.06 0.12 -0.10 -0.16 -0.08 0.12 0.04 -0.05 0.05 0.01 -0.01 0.06 0.08 -0.01 0.02 0.05 -0.05 -0.13 0.03 -0.04 0.15 0.03 -0.05 0.10 0.15 -0.07 0.02 -0.23 0.09 0.02 0.06 -0.11 -0.04 0.01 -0.03 0.02 -0.00 0.03 0.10 0.14 -0.03 -0.02 -0.00 0.22 -0.18 -0.07 0.21 -0.10 0.01 -0.08 -0.07 0.04 -0.03 0.01 -0.02 -0.06 -0.01 0.02 0.01 -0.03 -0.02 0.01 -0.02 -0.02 0.02 -0.01 -0.02 0.06 0.06 0.01 0.03 -0.05 0.00 0.07 -0.03 -0.02 -0.02 0.04 -0.10 -0.04 -0.04 0.02 0.01 -0.03 -0.01 -0.09 0.03 0.18 -0.02 0.05 -0.05 -0.08 -0.07 -0.02 -0.01 0.00 -0.02 0.04 0.06 -0.04 -0.03 0.07 0.05 -0.02 0.02 -0.01 0.07 0.01 -0.00 0.07 0.02 -0.00 0.02 -0.01 0.00 0.01 0.07 0.00 -0.03 0.01 0.04 0.11 -0.06 -0.01 0.04 -0.09 0.03 0.06 -0.19 -0.15 0.24 0.09 -0.07 -0.07 0.12 -0.12 0.01 0.00 -0.18 -0.33 -0.08 0.20 -0.00 0.02 0.11 -0.06 0.20 0.39 -0.13 -0.12 -0.01 -0.08 -0.08 -0.09 0.03 -0.01 -0.08 0.02 0.03 -0.03 0.07 0.09 -0.06 0.01 0.15 0.02 -0.06 0.09 0.12 -0.06 0.01 -0.02 0.10 -0.01 0.00 0.11 0.02 0.01 0.01 -0.05 0.03 -0.00 0.11 0.01 -0.11 0.02 0.05 0.12 -0.11 -0.04 0.19 -0.08 -0.02 -0.05 -0.06 0.01 0.01 0.07 0.03 0.08 0.00 -0.10 0.00 0.02 0.03 -0.02 0.02 0.05 -0.02 0.01 0.02 -0.00 0.04 0.02 -0.04 -0.00 0.05 -0.08 -0.04 0.05 -0.01 0.07 0.06 0.00 -0.02 -0.01 -0.01 0.01 0.03 -0.01 -0.08 -0.12 -0.02 0.08 0.06 -0.06 -0.08 -0.10 0.01 -0.04 -0.07 0.01 0.06 0.03 0.03 -0.07 0.04 -0.04 0.02 0.00 0.00 0.02 0.03 0.07 0.03 -0.04 0.07 0.03 -0.03 -0.03 0.04 0.00 -0.04 -0.02 0.09 0.14 -0.06 -0.07 -0.05 0.03 0.02 -0.07 0.05 0.14 -0.19 -0.14 0.10 0.01 0.05 0.07 0.01 0.09 0.07 0.17 0.01 -0.15 -0.10 -0.11 -0.06 -0.05 -0.18 -0.30 -0.14 -0.14 -0.07 -0.06 -0.07 -0.20 -0.02 -0.05 -0.12 0.09 0.00 -0.10 -0.00 0.06 0.03 0.08 -0.12 0.09 0.07 -0.09 -0.01 -0.05 0.02 -0.01 0.02 0.01 0.04 0.11 -0.00 -0.08 0.10 0.02 -0.07 -0.03 0.06 -0.01 -0.22 0.05 0.25 0.12 -0.01 -0.04 0.29 -0.12 -0.22 0.04 0.03 0.02 0.03 -0.06 -0.02 -0.05 0.07 0.11 -0.04 0.06 -0.01 0.05 0.03 -0.01 0.04 0.02 0.13 -0.01 -0.02 -0.06 0.08 0.03 -0.01 0.05 -0.05 -0.04 0.04 -0.08 -0.01 0.03 0.05 0.04 0.02 0.04 0.03 -0.10 -0.04 -0.12 0.06 -0.10 -0.04 -0.02 0.03 -0.04 -0.04 0.09 -0.09 -0.01 -0.09 -0.01 -0.02 0.04 0.02 0.05 0.00 0.05 0.01 0.01 0.05 -0.10 -0.02 0.03 -0.06 -0.01 0.02 0.02 -0.02 -0.06 -0.13 0.03 0.08 0.09 -0.06 -0.04 0.08 0.03 -0.00 0.06 -0.14 -0.05 0.11 -0.08 -0.02 0.01 -0.10 -0.00 -0.00 -0.09 0.01 -0.14 -0.02 -0.14 -0.18 -0.14 -0.12 -0.13 0.06 -0.16 -0.03 -0.04 -0.05 -0.03 0.07 -0.06 -0.09 0.07 -0.20 0.00 0.21 -0.09 -0.03 -0.11 -0.01 0.03 0.02 0.06 0.04 0.04 0.02 0.08 0.01 0.08 0.01 0.02 0.08 -0.17 0.01 0.07 -0.09 0.03 0.04 0.01 -0.04 -0.14 -0.37 0.10 0.21 0.02 -0.07 0.00 0.30 -0.13 -0.16 0.02 0.07 0.09 -0.05 -0.02 0.00 0.08 -0.06 0.04 0.03 -0.01 -0.04 -0.04 -0.00 -0.00 -0.02 -0.04 -0.10 0.02 -0.00 0.02 -0.04 -0.00 0.01 -0.01 0.02 0.01 -0.04 0.01 -0.00 0.02 0.00 0.05 -0.01 -0.02 -0.04 0.07 0.02 0.08 -0.05 0.01 0.00 0.10 0.07 0.04 -0.01 0.13 -0.09 -0.02 0.00 -0.00 0.04 -0.06 -0.05 -0.02 -0.02 -0.03 0.01 -0.03 -0.06 0.01 -0.02 -0.01 -0.01 -0.04 -0.00 0.00 0.00 0.05 -0.12 0.00 0.06 0.00 -0.03 -0.04 -0.04 0.00 0.01 -0.02 0.06 -0.00 -0.02 0.04 0.00 -0.04 0.02 -0.01 -0.04 0.01 -0.01 0.02 0.00 0.08 0.16 0.07 0.03 0.10 -0.03 0.18 0.23 0.04 -0.02 0.11 0.03 0.15 -0.14 0.11 -0.23 -0.01 0.31 -0.06 -0.01 0.02 -0.01 0.03 -0.22 0.05 0.20 -0.10 -0.16 -0.04 -0.03 -0.03 0.02 -0.04 -0.09 0.04 -0.03 -0.01 -0.01 -0.05 0.00 0.01 0.02 0.11 -0.36 0.09 0.24 -0.14 0.04 0.06 0.21 -0.11 -0.21 0.02 0.02 -0.03 -0.05 -0.02 -0.03 -0.02 -0.02 0.01 -0.02 0.02 -0.10 0.02 -0.07 0.03 0.05 -0.09 0.12 0.09 0.04 -0.03 -0.01 -0.01 -0.01 -0.08 0.04 0.08 -0.01 0.01 -0.06 -0.00 -0.00 -0.02 0.02 -0.06 0.01 0.00 0.01 0.01 -0.04 0.02 -0.04 0.02 0.04 0.02 -0.01 0.02 0.02 -0.00 0.04 -0.02 -0.02 0.04 -0.01 -0.03 -0.03 0.04 0.12 -0.05 0.07 0.02 0.00 0.01 -0.00 -0.04 -0.00 -0.00 0.05 -0.05 -0.02 0.02 -0.01 -0.02 -0.00 0.02 -0.02 0.02 -0.04 -0.06 0.12 0.21 -0.25 0.01 0.07 -0.06 0.04 -0.06 0.04 0.02 -0.11 0.45 0.00 0.11 -0.28 0.11 0.29 -0.10 -0.10 -0.42 0.05 0.06 0.02 0.01 0.04 0.06 0.00 0.02 0.03 -0.04 0.00 0.03 0.01 0.08 -0.03 -0.02 0.06 -0.02 -0.04 0.04 0.01 -0.10 -0.05 0.05 0.18 -0.08 0.08 0.06 0.00 0.03 -0.00 -0.08 0.01 -0.04 0.11 -0.13 -0.03 0.01 -0.03 -0.04 -0.03 0.02 0.00 -0.00 0.04 -0.01 -0.04 0.05 -0.02 -0.06 -0.08 0.01 0.01 0.04 0.02 0.00 0.08 0.03 0.03 0.00 -0.01 0.10 -0.09 -0.06 -0.03 0.02 0.02 0.00 0.02 -0.04 0.02 0.08 -0.00 -0.00 -0.08 0.01 -0.01 0.05 0.01 0.06 0.00 0.02 0.01 0.06 0.02 -0.03 -0.12 -0.02 -0.05 -0.02 0.01 -0.02 -0.02 0.03 0.02 -0.06 0.01 -0.02 0.01 0.07 0.04 -0.05 -0.08 0.06 -0.04 -0.02 0.02 0.04 -0.05 -0.04 0.03 0.04 -0.04 0.03 0.01 -0.01 0.01 0.02 0.00 -0.01 0.01 -0.00 -0.03 -0.02 0.07 0.18 -0.16 0.01 0.07 -0.07 -0.01 -0.06 0.02 -0.01 -0.10 0.47 -0.04 0.18 -0.28 0.13 0.37 -0.09 -0.08 -0.37 -0.06 -0.10 -0.01 -0.02 -0.05 -0.06 0.00 -0.03 -0.04 0.03 -0.00 -0.02 0.05 0.06 -0.08 0.02 -0.01 0.01 0.00 -0.02 0.02 0.14 0.06 -0.07 -0.14 0.09 -0.04 -0.03 0.05 0.11 -0.08 -0.06 0.08 0.07 -0.11 0.07 0.02 -0.01 0.02 0.04 0.02 -0.02 -0.01 0.00 -0.02 0.17 -0.01 -0.12 0.08 0.08 0.03 0.02 -0.10 0.04 -0.11 -0.08 0.03 0.01 -0.05 -0.05 -0.06 0.03 -0.02 -0.10 -0.02 0.01 0.03 -0.05 -0.06 0.01 -0.03 -0.03 0.06 -0.00 0.01 0.07 -0.05 -0.06 -0.04 -0.03 -0.02 0.04 -0.02 0.08 0.06 0.04 0.04 0.05 0.01 0.02 -0.03 -0.03 0.00 0.05 0.03 0.03 -0.09 0.14 0.00 -0.05 0.01 0.00 -0.10 0.01 -0.01 0.03 0.06 -0.01 0.05 0.09 -0.00 -0.07 -0.02 0.02 -0.14 0.08 0.02 0.03 -0.07 0.01 0.02 -0.01 -0.06 0.02 -0.03 -0.01 -0.01 0.03 -0.06 0.13 -0.01 -0.00 0.06 0.02 0.04 0.26 -0.12 0.18 -0.11 0.11 0.26 -0.01 -0.04 -0.12 0.11 0.06 0.00 0.03 0.10 0.11 0.08 -0.03 0.05 -0.10 -0.09 0.03 0.03 0.01 0.04 -0.00 0.27 -0.03 -0.20 0.17 0.11 -0.03 0.01 0.00 -0.12 0.02 -0.01 -0.00 0.06 -0.03 0.06 0.12 -0.02 -0.05 -0.04 0.04 -0.34 0.10 0.04 -0.04 -0.18 0.01 0.22 -0.09 0.02 0.21 -0.03 -0.09 -0.14 -0.05 0.02 0.06 0.11 0.06 0.13 0.07 -0.03 -0.04 0.01 0.10 -0.01 -0.03 -0.13 0.04 -0.01 0.00 0.05 0.05 0.09 0.05 -0.02 0.05 -0.11 0.02 0.02 0.13 0.06 0.02 0.01 0.02 0.00 -0.00 -0.02 -0.04 -0.15 0.01 0.04 -0.05 -0.02 -0.06 -0.03 -0.10 0.02 -0.11 -0.00 0.03 -0.09 0.11 0.03 0.01 -0.02 -0.05 0.02 -0.02 -0.10 -0.01 -0.08 -0.03 -0.03 -0.11 -0.03 0.03 -0.01 0.05 -0.05 0.05 -0.01 0.02 -0.03 0.02 0.04 0.14 0.12 0.05 -0.05 0.03 0.09 -0.06 0.08 -0.16 0.08 0.01 -0.07 -0.00 -0.06 -0.08 0.04 -0.09 0.03 -0.11 -0.11 0.01 -0.00 0.01 -0.17 -0.07 -0.02 -0.09 0.15 -0.16 0.10 -0.08 0.14 -0.04 -0.24 0.00 -0.12 0.03 0.04 -0.01 0.28 -0.03 -0.25 0.15 0.15 0.01 -0.02 -0.04 0.03 -0.03 -0.14 0.07 -0.12 -0.06 0.01 -0.15 -0.05 0.05 0.01 0.14 -0.06 0.03 -0.07 0.05 -0.13 -0.03 0.06 -0.01 0.10 0.04 -0.00 -0.04 0.00 -0.03 -0.06 0.01 -0.04 -0.01 -0.01 0.01 0.02 0.02 0.01 0.01 0.02 0.03 0.03 0.01 -0.00 -0.00 -0.06 -0.00 0.01 -0.13 0.01 0.08 0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.02 0.01 0.02 -0.03 0.01 0.02 -0.01 -0.09 0.01 0.00 -0.00 -0.00 -0.02 0.01 0.04 0.02 -0.05 -0.02 0.03 -0.00 0.04 0.01 0.01 0.01 0.02 0.03 -0.00 0.03 0.03 -0.02 -0.01 0.02 0.02 -0.01 -0.02 -0.03 0.02 0.00 0.00 -0.02 0.00 -0.08 0.02 -0.06 -0.12 0.12 0.18 -0.27 -0.04 0.09 -0.01 -0.06 0.01 0.03 0.04 0.02 -0.34 0.10 -0.15 0.41 -0.10 -0.34 0.17 -0.14 0.46 0.03 0.02 -0.01 0.01 0.02 0.02 0.03 -0.02 0.04 -0.02 -0.07 0.01 0.05 0.06 -0.06 0.00 0.07 -0.01 -0.06 0.04 0.03 0.05 0.02 0.00 -0.00 0.03 0.04 -0.02 0.06 0.09 -0.05 -0.03 0.06 0.02 -0.02 -0.04 -0.08 0.02 0.00 -0.01 -0.05 0.00 0.05 -0.02 0.01 -0.06 0.01 -0.06 -0.16 0.01 0.07 -0.06 -0.05 -0.08 -0.10 -0.04 0.06 0.07 -0.09 0.02 0.10 0.18 0.04 0.01 -0.03 -0.01 0.02 -0.04 -0.03 0.03 -0.02 -0.02 0.00 -0.02 0.00 -0.05 -0.05 -0.08 0.03 0.03 0.01 -0.01 -0.02 -0.01 -0.17 0.07 0.09 0.08 0.03 0.06 0.01 0.03 0.02 -0.13 0.05 0.07 0.01 0.01 -0.03 0.23 0.09 -0.01 -0.00 0.13 0.04 0.05 -0.08 -0.05 0.01 -0.09 -0.04 0.15 -0.05 -0.05 -0.04 0.01 0.00 0.00 -0.02 -0.00 0.02 -0.09 -0.03 0.03 -0.06 -0.04 0.06 -0.01 -0.03 0.02 0.01 -0.01 0.10 0.03 -0.03 -0.02 -0.04 0.00 -0.04 -0.02 0.01 -0.02 0.02 -0.02 0.23 0.15 0.02 0.11 -0.06 0.23 0.02 0.03 0.02 -0.04 0.03 0.05 -0.13 0.08 0.07 0.00 -0.02 -0.01 0.03 0.01 -0.05 0.37 0.13 -0.04 -0.09 0.18 0.09 0.18 -0.14 -0.13 0.08 -0.16 -0.09 0.19 -0.17 -0.11 -0.15 0.04 0.05 -0.07 -0.03 0.04 0.09 -0.05 -0.03 -0.06 -0.05 -0.02 0.03 -0.02 -0.00 -0.02 -0.04 -0.07 0.11 0.09 0.03 -0.06 0.13 -0.02 0.01 -0.01 0.03 0.02 0.01 -0.01 -0.06 0.01 0.03 0.02 0.03 -0.05 -0.06 0.04 0.01 -0.08 -0.04 0.00 0.01 0.06 0.02 -0.01 0.05 -0.01 0.04 -0.04 -0.00 0.12 -0.06 0.06 0.07 -0.11 0.04 0.01 -0.05 -0.01 0.02 0.04 -0.09 -0.00 -0.00 0.02 0.02 -0.00 0.02 -0.04 -0.01 0.01 -0.02 0.01 0.00 0.00 0.02 -0.01 -0.09 0.06 -0.03 -0.00 -0.06 0.03 -0.04 -0.05 0.07 0.00 0.01 -0.14 0.11 0.05 -0.05 -0.09 0.08 -0.00 -0.14 -0.04 -0.02 0.09 -0.00 0.04 -0.10 0.07 0.08 -0.04 0.07 -0.13 0.25 0.06 0.02 0.14 -0.17 0.21 0.22 -0.09 0.23 -0.06 -0.32 0.07 -0.00 -0.09 -0.01 0.06 0.03 -0.06 -0.06 0.04 -0.11 -0.01 -0.00 0.03 0.04 -0.01 0.02 -0.08 -0.00 0.01 -0.03 0.03 0.00 -0.01 0.03 -0.03 -0.33 0.11 0.05 -0.20 -0.14 0.12 0.25 -0.10 0.01 -0.07 -0.00 -0.04 0.01 -0.01 -0.07 -0.09 0.18 -0.12 0.00 -0.00 -0.02 0.08 -0.17 0.18 -0.06 -0.02 -0.08 -0.05 -0.00 0.02 0.08 -0.02 0.11 0.10 -0.05 0.10 0.06 -0.03 0.03 -0.04 0.02 -0.04 0.01 -0.05 0.04 -0.05 -0.06 -0.06 0.02 0.02 -0.09 0.10 0.04 0.10 0.02 0.04 0.05 0.06 0.06 -0.06 0.03 0.01 -0.05 -0.08 -0.01 -0.04 -0.06 -0.02 -0.06 0.03 0.06 0.03 -0.00 0.01 0.02 -0.06 0.00 0.05 -0.03 0.03 -0.01 -0.00 -0.02 0.01 0.08 -0.04 0.13 0.11 -0.12 0.07 0.16 -0.10 0.14 -0.02 -0.08 0.06 0.19 0.04 -0.01 -0.13 0.05 -0.14 -0.09 -0.24 -0.12 -0.07 0.04 -0.07 0.27 0.18 0.05 0.13 -0.08 0.29 0.04 0.04 0.06 -0.06 0.03 0.09 0.09 0.11 -0.07 -0.01 -0.07 -0.02 0.07 -0.01 -0.11 -0.10 -0.02 -0.04 -0.06 -0.03 -0.09 0.02 0.08 0.10 -0.03 -0.02 0.07 -0.05 0.02 0.12 -0.17 0.06 0.04 -0.12 -0.05 0.07 0.13 -0.05 -0.01 -0.00 -0.03 0.07 -0.06 -0.01 -0.04 0.03 -0.07 0.07 -0.05 -0.04 -0.02 0.01 -0.03 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.03 -0.02 0.05 0.14 -0.04 0.06 -0.04 0.12 0.02 -0.02 0.03 -0.01 -0.02 -0.02 -0.04 0.18 -0.11 -0.05 0.03 -0.07 0.00 -0.07 -0.01 0.03 -0.06 -0.00 0.01 0.08 -0.03 0.01 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.05 0.02 0.03 -0.01 -0.04 0.02 -0.01 -0.00 0.00 -0.02 0.02 -0.01 0.00 -0.01 0.01 0.02 0.01 0.01 0.05 0.15 -0.03 0.03 0.14 -0.04 0.21 -0.37 0.23 0.12 0.22 0.40 -0.12 0.23 -0.16 -0.09 0.04 -0.15 -0.06 0.27 -0.12 -0.02 -0.10 -0.00 0.00 -0.07 -0.04 0.08 -0.06 0.05 0.01 -0.13 -0.01 0.04 0.15 -0.05 0.03 0.02 -0.02 -0.04 0.01 -0.02 -0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.10 0.02 0.07 -0.02 -0.10 0.06 -0.01 0.00 0.01 -0.07 0.03 0.01 -0.04 -0.03 0.03 0.06 -0.02 0.01 0.02 0.02 -0.05 -0.05 -0.03 -0.05 -0.01 0.02 -0.04 0.03 0.02 0.01 -0.05 0.08 -0.04 0.01 -0.01 0.02 0.01 0.00 -0.01 -0.03 -0.02 0.01 0.02 -0.11 -0.07 0.02 -0.00 0.16 -0.02 0.01 -0.01 -0.00 0.02 -0.01 0.04 -0.12 0.08 -0.03 0.02 -0.07 -0.01 0.04 -0.01 -0.02 0.03 0.00 0.01 0.05 -0.05 -0.01 -0.00 0.02 0.00 -0.01 0.02 0.02 -0.01 0.02 0.02 0.02 0.03 -0.02 -0.04 0.03 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.02 -0.02 0.04 0.01 -0.16 -0.15 0.15 -0.08 -0.07 0.19 -0.38 0.28 0.01 0.24 0.50 0.15 -0.25 0.18 -0.02 0.03 0.21 0.02 -0.12 0.01 -0.01 0.05 -0.01 -0.01 0.06 -0.01 -0.05 0.03 -0.02 0.00 0.05 -0.00 0.03 0.12 -0.05 -0.02 -0.00 0.01 0.01 -0.00 0.02 -0.00 -0.01 0.02 0.02 -0.01 0.02 0.05 0.03 0.09 -0.03 -0.08 0.06 -0.00 0.01 -0.03 0.05 -0.02 -0.01 0.03 0.02 -0.02 -0.04 0.01 0.00 -0.04 0.02 0.10 -0.01 0.01 0.02 0.00 0.16 0.03 -0.11 -0.06 -0.02 0.00 0.02 -0.09 0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.04 0.02 -0.05 -0.06 -0.04 0.01 0.02 -0.02 -0.02 0.05 0.08 0.04 -0.02 -0.02 -0.05 0.02 -0.07 0.06 -0.01 0.01 0.02 -0.04 0.00 -0.02 0.07 -0.05 0.07 -0.02 0.01 0.02 0.06 -0.01 -0.12 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.02 0.07 -0.06 0.01 -0.04 0.05 0.02 0.08 -0.09 -0.03 -0.02 0.12 -0.16 -0.04 -0.01 0.10 -0.06 -0.01 0.00 0.02 0.06 0.03 -0.09 0.07 0.10 0.02 0.04 0.05 -0.14 0.12 -0.20 -0.05 0.04 -0.03 -0.00 -0.20 0.19 -0.02 0.32 0.00 -0.34 0.05 -0.02 0.01 0.02 0.00 -0.17 -0.05 0.08 -0.05 -0.29 0.00 -0.01 -0.02 0.03 -0.02 -0.01 0.03 -0.02 -0.03 0.02 -0.00 -0.02 0.01 0.00 0.00 -0.23 0.11 0.01 -0.24 -0.15 0.16 0.26 -0.07 0.08 -0.00 -0.09 0.03 -0.03 0.01 0.02 -0.03 0.16 -0.03 -0.01 -0.02 -0.01 -0.01 0.08 -0.12 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.07 0.02 -0.06 -0.04 0.02 0.02 0.02 -0.01 -0.01 0.06 0.00 0.00 -0.01 0.01 -0.04 0.01 0.01 0.01 -0.01 0.00 0.01 0.12 -0.12 0.10 -0.01 -0.04 -0.05 -0.03 0.00 0.02 -0.03 0.02 0.08 -0.02 -0.01 0.01 0.01 -0.02 0.01 0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.02 0.01 -0.00 -0.02 -0.06 0.05 -0.02 0.02 -0.05 0.05 0.07 -0.09 -0.01 0.07 0.18 -0.21 0.02 -0.01 0.12 -0.08 0.00 -0.03 0.04 0.11 -0.02 0.03 -0.01 0.06 0.02 -0.03 0.03 -0.03 0.07 0.39 -0.03 0.00 0.14 -0.20 0.37 -0.04 -0.07 -0.26 -0.02 0.18 -0.01 -0.04 0.00 0.03 0.06 0.23 -0.00 -0.12 0.07 0.27 -0.05 -0.02 0.02 0.01 -0.02 0.00 0.02 -0.03 -0.03 0.02 -0.02 -0.02 -0.02 0.02 -0.01 0.07 -0.07 0.03 0.12 0.13 -0.10 -0.16 0.02 -0.12 -0.04 0.01 0.00 -0.10 0.00 0.04 -0.03 -0.08 0.03 0.33 0.09 0.01 0.15 -0.01 -0.08 -0.04 0.01 0.05 -0.16 0.03 0.01 0.13 -0.02 -0.15 -0.03 -0.01 0.02 0.15 -0.06 -0.06 0.04 -0.04 -0.08 0.11 0.03 0.01 0.00 -0.02 0.02 -0.05 0.02 0.01 -0.05 0.02 0.00 0.00 0.04 0.02 -0.09 0.03 0.04 0.03 -0.01 -0.05 -0.13 0.04 0.08 -0.13 0.01 0.07 0.02 -0.05 -0.03 -0.00 -0.06 -0.02 -0.16 0.04 -0.00 0.01 0.03 -0.03 0.02 -0.01 0.03 0.11 -0.02 -0.22 0.02 0.03 0.23 -0.24 -0.00 -0.02 0.22 -0.10 -0.05 0.18 0.02 0.01 -0.06 -0.02 0.01 0.08 -0.01 -0.03 0.03 -0.04 0.11 -0.12 0.01 0.03 -0.05 0.01 -0.08 0.00 0.04 0.04 -0.00 0.01 0.02 -0.09 0.05 0.05 -0.04 -0.15 0.01 0.09 -0.05 -0.17 -0.19 0.02 0.15 -0.15 0.03 0.12 0.10 -0.09 -0.07 0.03 -0.10 -0.04 -0.17 0.02 -0.05 -0.05 0.04 -0.01 -0.07 -0.07 0.06 0.10 -0.01 0.07 0.02 -0.05 -0.03 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.02 0.00 0.01 -0.02 0.03 -0.02 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 0.02 -0.02 0.01 0.01 0.02 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.02 -0.01 0.00 -0.00 0.00 -0.02 -0.04 0.05 -0.13 0.01 -0.05 0.00 -0.00 -0.00 -0.06 -0.07 -0.04 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.06 0.15 -0.02 0.11 0.01 0.14 0.01 0.01 0.01 0.01 0.03 0.05 -0.03 0.01 0.01 0.00 -0.01 0.01 -0.03 0.01 0.03 -0.01 0.03 -0.02 -0.01 -0.01 -0.02 -0.00 0.02 -0.01 0.11 -0.03 -0.01 -0.03 -0.01 0.18 -0.23 -0.02 -0.25 -0.11 0.24 -0.02 -0.00 -0.00 0.00 -0.09 -0.33 0.10 -0.00 -0.14 -0.35 0.01 -0.01 -0.01 0.02 -0.01 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.19 0.10 -0.11 0.11 -0.30 0.04 0.16 0.10 0.44 0.01 -0.06 -0.08 0.00 -0.00 0.01 -0.04 -0.08 -0.02 -0.07 0.03 0.04 -0.04 0.13 -0.07 -0.01 -0.03 -0.01 0.04 -0.01 -0.01 0.13 -0.03 0.01 0.10 0.01 0.16 -0.04 0.03 0.01 0.02 -0.08 -0.07 -0.04 0.05 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.01 -0.09 -0.00 0.08 0.04 0.13 0.10 -0.00 -0.01 0.00 0.07 0.03 -0.02 -0.01 -0.04 -0.03 0.04 -0.03 -0.04 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.02 0.01 -0.04 -0.04 -0.04 -0.01 -0.04 0.15 -0.05 0.08 0.14 0.06 0.37 -0.16 -0.01 0.13 0.03 -0.04 0.03 -0.11 0.05 0.12 -0.08 0.13 -0.08 -0.07 -0.19 -0.06 -0.04 0.10 -0.04 -0.30 0.02 0.17 -0.09 0.00 -0.15 0.05 0.09 -0.07 0.01 0.25 0.14 -0.02 -0.01 0.02 -0.10 -0.06 -0.05 0.19 0.02 -0.05 -0.02 -0.04 -0.06 0.07 -0.05 -0.07 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.02 0.02 0.06 -0.17 0.01 0.05 -0.21 0.11 0.10 0.06 -0.07 -0.18 0.10 -0.12 -0.02 0.02 -0.00 -0.02 -0.00 0.09 -0.01 0.07 -0.03 -0.03 -0.03 -0.08 0.05 0.01 0.03 0.00 -0.03 0.00 0.00 -0.10 -0.00 -0.01 -0.09 0.02 -0.13 -0.03 0.01 0.02 0.06 -0.03 0.02 0.01 -0.05 -0.02 0.01 0.04 -0.02 -0.01 0.00 0.00 -0.08 -0.10 0.14 0.03 0.10 0.10 0.02 -0.01 -0.02 0.06 0.03 -0.03 0.03 0.04 0.04 -0.02 0.04 0.04 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 -0.03 0.02 -0.02 -0.05 -0.02 -0.01 -0.02 -0.12 0.10 -0.03 -0.13 0.01 -0.28 0.07 0.06 -0.12 -0.06 0.04 0.02 0.00 -0.01 -0.04 0.06 -0.03 0.04 0.06 0.18 0.02 0.02 -0.03 0.01 -0.29 -0.11 0.23 -0.09 -0.05 -0.10 0.02 0.03 -0.25 -0.02 0.39 0.17 0.03 -0.00 -0.02 -0.11 -0.07 -0.06 0.16 0.01 -0.07 0.06 0.04 0.07 -0.04 0.05 0.08 -0.02 0.02 0.03 -0.01 0.01 0.02 0.01 -0.03 -0.08 -0.17 0.04 0.06 -0.23 0.08 0.13 0.11 -0.06 -0.13 -0.01 -0.03 -0.01 -0.04 0.02 0.02 -0.01 -0.03 0.02 -0.11 0.18 0.12 0.12 -0.01 0.08 -0.01 -0.05 0.07 0.07 -0.01 0.00 -0.02 0.06 -0.07 -0.11 -0.01 -0.15 0.10 -0.06 -0.03 0.03 -0.00 -0.03 -0.00 0.13 0.17 0.01 -0.01 -0.00 0.02 -0.01 -0.03 -0.02 -0.05 0.04 0.00 0.01 0.01 -0.04 0.03 0.03 0.01 0.01 -0.00 -0.06 -0.08 -0.17 0.04 -0.08 -0.14 0.03 -0.01 -0.02 0.00 -0.01 -0.00 0.02 0.00 0.10 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.06 0.13 -0.17 -0.13 -0.05 -0.26 0.05 0.01 -0.13 -0.02 -0.03 -0.03 0.15 -0.07 -0.10 0.07 -0.14 0.09 0.11 0.23 0.05 0.05 -0.13 0.08 -0.02 -0.01 0.04 -0.01 -0.06 0.03 0.00 -0.01 -0.09 -0.01 0.10 0.03 -0.06 0.06 0.05 -0.02 0.01 -0.02 0.02 0.01 0.01 -0.12 -0.08 -0.35 0.07 -0.12 -0.32 0.07 -0.03 -0.05 0.01 -0.03 -0.01 0.02 0.07 0.24 -0.04 0.01 0.02 -0.06 0.03 0.04 0.03 -0.01 -0.03 0.13 -0.01 -0.05 -0.07 0.03 0.06 0.07 0.05 -0.10 -0.05 -0.04 0.01 0.09 0.09 -0.09 0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.15 -0.08 0.15 0.03 0.02 0.05 0.17 -0.05 -0.11 -0.23 0.01 0.24 0.06 0.05 -0.07 -0.00 0.04 -0.01 0.11 -0.05 -0.09 0.00 0.02 0.01 -0.00 0.02 0.03 -0.12 0.06 0.09 -0.01 0.00 0.00 -0.04 -0.01 0.02 -0.00 -0.04 0.01 0.05 -0.05 -0.05 -0.01 -0.01 0.00 -0.04 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.13 -0.44 0.05 -0.03 0.03 -0.16 0.20 0.03 0.07 0.12 -0.07 -0.10 0.14 -0.06 -0.09 0.00 0.12 -0.06 -0.09 -0.09 -0.02 -0.04 0.08 -0.10 -0.14 -0.04 0.05 -0.03 0.12 -0.12 -0.03 0.01 -0.04 -0.00 0.10 0.04 -0.22 0.11 0.18 -0.04 -0.01 -0.01 -0.00 0.00 -0.01 -0.08 -0.03 0.06 0.01 -0.04 0.03 0.15 -0.11 -0.13 -0.00 -0.02 -0.00 -0.05 0.02 -0.02 -0.02 0.01 0.00 -0.04 0.00 0.02 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.12 -0.06 -0.10 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.03 -0.00 0.01 0.02 -0.00 -0.03 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.06 0.09 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.01 0.17 -0.10 -0.16 -0.16 0.10 0.14 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.05 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.03 -0.02 0.01 -0.02 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.27 0.17 0.25 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 0.02 0.00 0.01 0.01 0.21 -0.13 -0.20 -0.50 0.31 0.45 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.02 0.00 0.02 -0.03 -0.02 0.00 0.02 -0.02 0.04 -0.04 -0.04 -0.01 0.01 -0.04 0.05 0.01 0.17 -0.05 0.01 -0.05 -0.02 -0.03 0.01 0.01 0.00 0.01 -0.00 0.05 0.01 -0.02 -0.02 0.03 0.04 -0.06 -0.00 -0.00 0.01 -0.00 -0.03 0.03 0.04 0.02 -0.00 0.00 0.05 0.05 0.03 0.01 -0.02 -0.02 0.01 0.02 0.01 -0.02 0.03 -0.14 -0.05 0.03 -0.05 -0.01 -0.02 0.00 -0.02 -0.01 0.01 0.01 0.00 0.12 -0.11 0.03 0.03 -0.02 -0.02 -0.03 -0.01 -0.08 0.01 0.01 0.03 0.02 -0.02 0.01 -0.00 0.05 0.05 0.00 -0.00 0.07 0.03 -0.01 0.03 -0.01 -0.02 -0.02 -0.01 -0.01 0.04 -0.02 -0.07 -0.04 0.03 0.02 -0.01 -0.10 0.13 0.05 0.09 0.02 -0.04 0.03 0.02 -0.06 -0.04 0.03 -0.22 0.18 0.16 -0.04 -0.20 -0.07 0.03 -0.42 -0.09 0.03 -0.15 -0.03 -0.00 0.03 -0.05 0.02 0.03 0.05 -0.03 0.22 0.13 -0.07 -0.19 0.35 -0.15 -0.30 -0.25 0.06 0.12 0.00 0.03 0.00 0.02 -0.02 -0.01 0.01 0.00 -0.00 0.02 -0.03 -0.03 0.00 0.01 -0.02 0.03 0.01 0.10 -0.04 0.00 -0.04 -0.00 -0.01 0.01 0.02 -0.00 0.02 0.00 0.04 0.01 -0.03 0.02 0.02 0.03 -0.04 -0.01 -0.00 -0.00 0.00 -0.02 0.03 0.03 -0.02 0.02 -0.01 -0.07 -0.05 -0.03 0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.01 0.02 -0.08 -0.03 0.02 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.08 0.13 -0.03 -0.04 0.02 0.02 0.04 0.00 -0.05 0.01 0.02 0.00 0.03 -0.00 -0.01 0.02 0.04 0.04 -0.00 0.01 0.05 0.02 -0.01 0.01 -0.01 -0.02 -0.03 -0.00 -0.01 0.02 -0.01 0.05 0.02 -0.03 -0.03 0.06 0.08 -0.16 -0.06 -0.10 -0.02 0.05 -0.03 0.02 -0.04 -0.03 -0.04 0.27 -0.22 -0.20 0.05 0.24 -0.04 0.02 -0.25 -0.05 0.02 -0.05 -0.03 -0.00 0.02 -0.04 0.02 0.03 0.03 -0.02 0.15 -0.17 0.09 0.23 -0.42 0.18 0.36 0.30 -0.07 -0.14 0.02 -0.00 -0.01 0.07 -0.12 -0.06 0.01 0.00 -0.01 -0.08 0.01 0.03 0.12 0.02 -0.01 0.00 -0.02 -0.02 0.03 0.00 0.17 -0.00 -0.01 -0.01 -0.01 -0.00 -0.02 0.12 0.18 0.02 -0.05 0.00 0.04 0.06 0.06 -0.01 -0.00 0.00 -0.00 -0.14 0.17 0.18 0.00 -0.00 0.00 0.00 0.00 0.01 0.03 -0.08 -0.11 -0.00 0.00 0.00 -0.02 -0.02 0.08 -0.01 -0.05 -0.12 -0.08 -0.07 0.01 -0.06 -0.06 0.02 -0.06 0.00 -0.13 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.11 -0.09 -0.01 -0.01 -0.03 0.02 0.01 -0.02 0.19 0.28 -0.04 0.23 0.22 -0.04 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.02 0.00 0.00 -0.01 0.00 0.02 0.01 0.14 -0.26 -0.23 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.04 -0.03 0.19 -0.02 -0.06 -0.21 -0.14 -0.01 0.13 -0.20 0.06 0.13 -0.11 0.02 -0.34 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.03 0.05 0.03 -0.00 -0.00 0.01 0.05 -0.02 -0.05 -0.06 -0.00 -0.01 0.04 0.02 0.16 0.02 0.02 0.28 -0.00 0.01 0.01 0.02 -0.00 0.02 -0.07 -0.06 -0.00 0.02 0.00 -0.02 0.00 -0.08 0.03 0.00 -0.00 0.00 0.07 -0.08 -0.08 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.03 0.05 0.00 -0.00 -0.00 0.03 0.04 0.03 -0.07 0.02 -0.27 0.03 0.03 -0.01 0.02 0.03 -0.01 -0.02 -0.01 -0.15 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 0.03 0.02 0.01 0.03 0.00 -0.01 0.02 -0.08 -0.12 0.02 -0.13 -0.08 0.05 -0.01 0.01 -0.01 -0.01 -0.04 -0.01 -0.00 0.02 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.07 0.11 0.11 -0.00 0.03 -0.02 -0.01 0.01 0.02 0.03 0.04 -0.17 -0.13 0.01 -0.55 0.06 -0.00 -0.06 0.09 -0.02 -0.06 -0.06 -0.06 -0.51 -0.03 0.01 0.03 -0.05 0.02 0.04 0.02 -0.00 -0.01 -0.10 -0.03 -0.07 -0.03 -0.03 0.06 0.02 -0.07 0.08 -0.06 -0.10 -0.08 0.04 0.09 0.04 0.04 -0.00 -0.03 -0.05 0.00 -0.01 -0.01 0.18 0.08 -0.02 0.00 0.04 0.07 0.19 0.03 0.08 0.06 -0.10 0.13 -0.08 -0.00 -0.00 -0.04 0.01 0.15 -0.01 -0.09 -0.03 -0.05 0.02 0.01 0.01 0.01 -0.07 0.00 -0.01 0.02 0.01 0.00 -0.01 0.04 -0.01 -0.02 -0.01 0.03 -0.04 -0.07 -0.01 -0.04 -0.05 0.02 -0.03 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.05 0.37 0.03 -0.06 -0.20 -0.23 0.36 0.01 0.10 0.01 0.19 0.04 0.09 0.17 -0.02 0.10 0.03 -0.01 0.07 0.02 -0.02 0.02 -0.21 0.00 0.10 0.10 -0.01 -0.00 -0.15 0.15 0.06 -0.01 -0.04 -0.00 0.02 0.02 -0.22 -0.02 0.11 -0.00 -0.05 0.03 0.07 -0.00 -0.05 -0.06 0.02 0.07 -0.07 0.01 0.01 0.09 -0.12 -0.06 0.11 -0.09 -0.15 -0.02 -0.02 0.04 0.00 -0.01 -0.02 0.03 0.00 -0.03 -0.03 -0.00 -0.01 0.02 0.01 0.02 0.03 -0.02 -0.02 -0.01 0.01 -0.02 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.04 -0.03 0.00 -0.00 -0.03 -0.01 0.04 0.01 -0.01 -0.02 0.01 0.00 -0.01 0.03 0.00 0.01 -0.01 0.02 -0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.03 0.00 0.02 -0.10 0.05 0.09 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.06 -0.01 0.02 0.07 0.08 -0.13 -0.03 -0.03 0.00 0.03 0.02 -0.00 0.05 0.02 -0.04 -0.05 0.02 -0.01 0.02 0.02 -0.00 0.07 0.02 -0.03 -0.03 0.01 0.00 0.03 -0.05 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.07 -0.08 0.00 0.02 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.05 0.00 0.00 0.01 0.41 -0.26 -0.36 0.49 -0.28 -0.45 0.01 -0.00 0.02 0.00 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 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.00 0.01 -0.01 0.01 0.00 0.02 -0.00 0.00 0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.01 -0.04 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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.13 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.01 0.01 0.03 0.04 -0.06 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.02 -0.02 -0.03 0.01 -0.01 0.01 0.01 -0.00 0.03 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.01 0.03 0.00 0.01 -0.00 -0.01 0.00 0.00 0.13 0.01 0.85 -0.04 0.00 -0.16 -0.05 0.03 0.04 -0.05 0.03 0.05 0.09 -0.01 0.41 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 0.02 0.04 -0.02 -0.00 0.06 -0.02 0.02 -0.04 -0.04 0.05 -0.05 -0.01 0.02 0.01 -0.02 0.01 -0.10 -0.01 -0.01 -0.01 0.04 -0.07 -0.06 0.01 -0.01 -0.08 -0.01 0.13 0.02 -0.04 -0.04 0.03 0.05 -0.14 0.22 0.00 0.01 -0.02 0.09 -0.01 -0.06 0.02 0.02 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.02 -0.01 -0.01 -0.00 0.02 0.02 0.05 -0.00 0.02 -0.01 -0.00 -0.05 -0.02 0.03 -0.05 -0.03 0.00 -0.00 0.02 -0.00 0.01 -0.00 0.00 0.00 0.00 0.07 -0.15 -0.00 0.05 0.20 0.23 -0.37 -0.11 -0.08 -0.00 0.05 0.05 -0.01 0.17 0.08 -0.11 -0.18 0.08 -0.03 0.10 0.05 -0.00 0.19 0.08 -0.08 -0.06 0.02 0.01 0.07 -0.10 -0.04 -0.01 -0.01 0.01 0.02 -0.00 -0.25 0.06 0.18 0.02 0.03 -0.02 -0.05 -0.00 0.03 -0.01 0.03 -0.27 0.01 0.04 0.15 -0.20 0.09 0.19 -0.18 0.12 0.14 -0.02 -0.03 -0.18 0.01 0.01 0.00 -0.00 -0.02 -0.01 0.01 0.01 0.02 -0.06 -0.04 -0.15 0.03 0.01 -0.08 0.11 -0.05 0.06 -0.03 0.04 -0.09 -0.01 0.09 -0.09 -0.01 0.01 -0.10 -0.02 -0.01 -0.01 0.04 0.15 0.02 0.01 0.01 0.01 0.02 -0.21 -0.07 -0.13 0.14 0.12 0.07 -0.20 0.26 -0.01 -0.04 0.00 -0.16 0.01 0.11 -0.03 -0.06 0.02 0.02 -0.00 0.03 0.04 0.01 0.04 0.01 0.01 0.01 0.03 0.04 0.02 -0.01 0.03 0.01 0.02 0.07 0.02 0.00 0.06 0.02 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.04 0.02 -0.02 0.03 -0.01 0.06 0.00 -0.09 0.06 0.04 -0.19 -0.08 -0.05 -0.20 0.01 -0.00 -0.11 0.05 0.02 0.02 0.02 0.01 -0.05 0.05 0.08 0.15 0.01 -0.00 -0.16 0.14 0.05 -0.03 -0.12 0.02 0.12 0.05 0.41 -0.11 -0.29 -0.02 -0.07 0.04 0.05 -0.01 -0.06 0.02 0.05 -0.10 -0.03 0.04 0.06 0.15 -0.04 -0.17 0.07 -0.05 -0.01 -0.00 -0.04 -0.11 -0.02 -0.00 -0.03 0.01 -0.01 -0.02 -0.02 -0.01 -0.01 0.01 0.08 0.05 0.00 0.00 -0.01 -0.04 -0.02 -0.03 -0.00 0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.01 0.05 0.01 -0.02 -0.01 -0.01 -0.00 -0.06 0.01 -0.01 0.02 -0.00 -0.02 0.01 -0.01 0.00 0.01 0.06 -0.02 0.04 0.09 -0.09 0.03 -0.00 0.00 0.00 -0.01 -0.07 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 -0.05 0.06 -0.03 -0.01 0.00 -0.02 -0.02 0.06 -0.02 -0.01 -0.11 -0.09 0.18 0.07 0.04 0.01 -0.02 -0.01 0.00 -0.02 0.00 0.05 0.09 -0.05 0.01 -0.08 -0.03 -0.00 -0.11 -0.04 -0.30 -0.04 0.19 0.04 0.05 -0.33 -0.21 -0.14 -0.36 0.13 0.38 0.09 0.05 -0.02 -0.04 0.14 0.16 -0.06 -0.29 -0.02 0.14 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.02 0.05 -0.03 0.00 -0.20 -0.10 0.05 0.04 0.14 0.04 -0.01 0.08 0.01 -0.00 -0.01 -0.07 0.03 -0.03 -0.01 0.04 -0.02 -0.02 0.05 -0.07 -0.01 0.00 -0.04 0.00 -0.01 0.00 -0.05 -0.08 0.03 -0.04 0.01 0.08 0.04 -0.03 -0.04 0.08 -0.10 -0.06 0.02 -0.08 0.13 -0.01 0.04 0.02 -0.02 0.01 0.02 0.00 0.04 -0.03 -0.05 0.04 -0.03 -0.00 0.00 0.00 -0.01 0.02 -0.01 0.01 0.01 0.00 -0.00 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.03 -0.03 0.02 0.01 0.00 0.02 -0.09 0.03 -0.06 -0.09 -0.26 -0.31 0.40 0.25 0.01 0.09 -0.08 -0.02 0.02 0.01 0.04 0.15 0.34 -0.15 0.06 -0.12 -0.12 -0.00 -0.24 -0.12 0.06 -0.11 -0.08 -0.02 0.09 0.03 0.06 0.08 0.23 -0.08 -0.24 -0.07 0.08 -0.05 -0.08 -0.05 -0.03 0.00 0.09 0.01 -0.03 0.03 0.01 0.01 0.01 0.02 0.05 0.03 -0.02 -0.03 0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 -0.02 0.03 -0.00 0.10 0.06 -0.01 -0.02 -0.06 0.01 -0.00 0.02 0.01 -0.01 0.00 -0.02 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 0.02 0.01 -0.00 -0.02 0.01 0.02 0.00 0.02 -0.02 -0.03 0.01 0.01 -0.02 0.01 -0.00 -0.01 0.04 -0.01 -0.03 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.09 0.05 0.07 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.04 0.01 0.03 0.05 -0.03 -0.05 -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 0.11 0.05 -0.09 -0.08 0.01 -0.04 0.00 0.01 -0.00 0.00 -0.01 -0.06 -0.10 0.04 -0.03 0.03 0.04 -0.00 0.11 0.03 -0.00 -0.03 -0.00 0.00 0.01 -0.02 0.00 0.01 0.02 -0.01 -0.02 -0.00 0.50 -0.31 -0.47 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.26 -0.16 -0.23 -0.30 0.18 0.26 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.06 -0.10 -0.02 0.00 0.00 0.00 0.02 0.02 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.03 0.01 -0.03 -0.01 -0.01 -0.01 0.01 0.00 0.03 -0.02 0.03 -0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.00 -0.00 -0.00 0.14 0.05 -0.16 0.07 0.11 0.11 -0.00 -0.00 0.00 -0.16 -0.05 0.17 -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 -0.01 0.03 0.04 -0.11 -0.03 0.00 -0.05 0.02 -0.01 -0.00 -0.02 -0.07 -0.03 0.01 0.04 -0.03 -0.00 -0.01 0.01 -0.01 0.01 0.01 0.04 0.06 -0.01 0.05 0.07 -0.03 0.01 -0.06 -0.00 0.12 0.01 -0.16 0.20 -0.17 -0.23 -0.17 0.14 0.17 0.29 0.13 0.00 -0.00 -0.00 0.00 -0.36 -0.14 0.12 -0.16 -0.08 0.04 -0.00 -0.00 0.00 0.02 0.01 0.11 0.02 -0.01 -0.01 -0.02 0.01 0.02 0.01 0.00 0.05 -0.05 0.10 0.04 -0.35 -0.21 0.07 0.20 0.02 0.12 0.03 -0.00 0.07 -0.04 0.03 -0.08 -0.07 -0.01 -0.03 -0.05 -0.04 -0.02 0.05 0.11 0.01 0.06 -0.01 -0.02 -0.03 -0.00 -0.00 -0.05 0.03 0.11 0.02 -0.01 -0.04 0.02 -0.10 0.05 0.07 -0.07 -0.09 0.14 0.02 -0.02 0.02 -0.00 -0.03 -0.06 -0.02 0.05 0.03 0.02 -0.02 -0.01 0.03 -0.00 0.05 -0.02 0.01 -0.03 -0.00 0.00 -0.02 0.04 -0.00 -0.01 -0.05 0.02 0.04 0.03 -0.01 -0.02 0.02 0.02 -0.04 0.02 0.02 0.01 -0.01 0.00 0.00 0.00 0.01 -0.08 0.10 0.06 -0.01 0.29 0.06 -0.17 -0.25 0.08 -0.16 0.19 -0.04 -0.05 -0.33 -0.18 -0.15 -0.29 0.12 -0.09 0.10 0.11 0.00 0.30 0.07 -0.03 -0.11 -0.01 0.03 0.05 -0.10 -0.01 0.04 0.09 -0.02 -0.06 -0.01 -0.06 0.13 0.12 -0.05 -0.00 -0.01 -0.01 -0.00 0.01 -0.11 0.01 0.03 -0.07 -0.04 -0.11 -0.12 0.10 0.08 0.11 -0.18 -0.04 -0.05 -0.02 -0.11 0.01 0.00 0.02 -0.02 0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.02 0.00 0.01 -0.00 0.02 0.01 0.00 0.03 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.00 -0.00 0.04 -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.08 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.02 0.02 -0.01 0.01 0.00 -0.01 -0.02 0.00 -0.03 0.03 -0.00 -0.01 -0.04 -0.02 -0.00 -0.02 0.01 0.00 0.03 0.01 0.00 0.01 0.01 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.00 0.00 0.01 0.01 0.00 0.04 0.02 -0.02 -0.00 0.01 0.01 -0.03 -0.00 -0.13 0.11 0.06 0.76 -0.01 0.01 -0.00 0.00 -0.02 0.01 0.10 0.03 0.58 0.01 -0.01 -0.00 0.04 0.00 -0.02 0.00 -0.00 -0.01 0.04 -0.01 0.01 -0.03 0.02 -0.05 -0.00 -0.01 -0.04 -0.03 -0.03 -0.01 0.08 0.03 0.04 0.05 -0.00 -0.02 -0.02 -0.01 0.00 0.15 -0.00 -0.08 -0.06 -0.00 -0.01 -0.14 0.01 0.13 -0.09 -0.01 0.07 0.09 0.02 -0.03 -0.05 0.03 0.00 0.01 -0.05 -0.00 0.01 0.01 0.01 -0.02 0.00 -0.01 0.03 -0.01 0.04 0.00 0.00 -0.02 -0.02 0.02 -0.01 -0.01 -0.04 -0.00 -0.00 0.05 0.02 0.02 0.00 -0.02 -0.03 0.01 0.03 0.00 -0.01 0.02 0.01 0.00 0.01 0.16 -0.14 -0.10 0.00 -0.36 0.01 0.07 0.21 -0.12 -0.24 0.15 0.09 -0.15 -0.14 -0.06 0.21 0.20 -0.05 0.20 0.18 -0.12 0.03 -0.42 0.01 -0.05 -0.05 0.02 0.00 0.04 -0.05 0.00 0.01 0.04 -0.06 -0.03 0.01 0.03 0.03 0.05 0.01 0.02 -0.03 0.00 0.01 -0.00 -0.09 0.00 0.07 -0.04 -0.01 0.04 0.12 -0.06 -0.17 -0.11 -0.01 0.14 -0.05 -0.02 -0.13 0.01 -0.01 0.01 0.05 0.05 0.00 -0.02 -0.01 -0.02 0.02 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.00 0.02 0.02 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.01 0.02 0.00 0.08 0.01 -0.00 0.09 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.02 0.00 -0.13 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.02 -0.02 0.01 -0.03 0.01 0.01 0.02 -0.00 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.02 0.01 -0.00 0.02 0.01 -0.01 0.00 -0.04 0.00 -0.00 -0.05 -0.00 0.01 0.01 -0.03 0.03 0.01 0.02 -0.00 -0.02 -0.01 0.02 -0.01 -0.02 -0.05 -0.03 0.02 0.02 -0.00 -0.03 -0.04 0.00 -0.40 -0.09 -0.06 -0.59 -0.03 0.02 0.03 0.01 -0.01 -0.01 0.12 0.03 0.64 -0.01 -0.00 0.00 -0.03 0.03 0.03 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 0.01 -0.00 0.00 0.02 -0.01 -0.01 0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.02 0.01 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.07 -0.04 -0.06 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.09 0.05 0.08 0.05 -0.02 -0.04 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.02 0.00 -0.00 0.05 -0.01 -0.01 -0.03 0.02 0.03 0.00 -0.02 0.02 -0.00 -0.01 -0.03 -0.02 0.01 -0.03 -0.03 0.02 -0.00 0.06 -0.00 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.38 0.22 0.35 0.01 0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.04 -0.01 -0.00 -0.06 0.48 -0.29 -0.44 -0.25 0.14 0.23 0.01 0.00 0.06 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.08 0.11 0.06 -0.01 -0.10 0.06 -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.02 0.09 -0.05 0.04 0.04 0.02 -0.00 0.01 -0.01 -0.07 0.03 -0.03 -0.01 0.00 -0.01 0.00 -0.07 0.02 0.03 -0.01 0.04 0.00 -0.15 -0.00 0.01 -0.01 -0.01 0.08 0.03 0.05 -0.07 0.08 0.11 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 0.01 0.16 -0.07 -0.11 -0.05 -0.10 0.00 -0.00 0.02 0.04 -0.01 -0.05 -0.00 -0.02 -0.01 -0.01 0.07 -0.03 0.04 0.04 0.02 0.05 0.01 0.04 0.03 -0.05 0.01 0.00 0.04 0.04 -0.04 -0.06 0.01 -0.05 -0.13 0.02 -0.01 -0.01 -0.00 0.10 -0.23 -0.06 -0.03 -0.01 0.07 0.24 -0.04 -0.07 0.11 -0.07 -0.07 -0.05 -0.12 0.14 -0.25 -0.33 0.27 0.16 -0.03 -0.26 0.01 0.00 0.07 0.03 0.02 0.23 0.17 0.15 -0.01 -0.14 -0.01 -0.10 -0.02 0.00 -0.07 -0.08 -0.01 -0.08 -0.19 0.11 0.14 -0.01 -0.04 -0.09 -0.07 -0.09 -0.05 -0.01 -0.15 0.09 0.03 0.03 0.05 -0.01 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.08 0.06 -0.03 -0.03 -0.02 0.00 -0.00 -0.01 0.07 -0.02 0.02 0.02 0.00 0.00 0.00 0.06 -0.02 0.04 -0.02 0.06 -0.01 0.12 0.00 -0.00 0.00 0.01 0.11 0.06 0.09 0.06 -0.06 -0.09 0.00 0.00 0.01 0.00 -0.01 0.02 0.04 0.23 -0.12 -0.18 -0.07 -0.15 -0.00 0.00 -0.01 -0.04 0.01 0.04 0.00 0.02 0.01 -0.01 -0.06 0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.03 0.04 -0.07 0.02 -0.01 0.04 0.06 0.02 0.03 0.00 0.03 0.12 -0.01 0.01 0.03 0.01 -0.07 0.19 0.04 0.02 0.01 -0.05 -0.20 0.03 0.06 -0.08 0.06 0.05 0.02 -0.24 0.12 0.21 0.27 -0.22 -0.13 0.03 0.22 -0.02 0.00 -0.05 -0.02 -0.03 -0.17 0.17 0.29 0.06 -0.17 -0.06 -0.18 0.01 -0.00 0.06 0.07 0.01 0.06 0.16 -0.10 -0.12 0.02 0.04 0.08 0.02 -0.02 0.02 0.03 -0.01 0.03 -0.03 -0.03 -0.03 0.00 -0.01 -0.01 -0.02 -0.00 0.02 -0.03 -0.12 0.00 -0.20 0.26 0.02 0.06 0.10 0.04 -0.01 0.00 -0.01 0.02 -0.02 -0.06 -0.05 -0.02 0.01 -0.03 -0.00 -0.01 -0.02 0.01 -0.02 -0.02 0.02 -0.00 0.07 -0.01 -0.01 -0.02 0.04 0.01 -0.00 0.00 -0.02 -0.05 -0.01 -0.07 0.12 -0.15 -0.02 -0.12 -0.06 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.24 0.10 -0.03 0.01 -0.02 0.05 0.02 0.00 0.04 0.07 0.10 0.09 0.01 -0.08 0.05 0.01 -0.09 0.05 0.06 -0.14 -0.01 0.04 0.09 0.05 0.05 -0.10 0.06 0.09 0.23 0.01 0.02 -0.10 0.09 -0.12 -0.12 0.05 0.07 -0.01 -0.24 -0.02 0.06 0.11 -0.16 -0.03 0.06 -0.04 0.03 0.01 -0.07 0.05 -0.11 -0.07 0.01 -0.01 -0.12 -0.22 0.06 0.16 -0.19 0.13 0.02 -0.01 0.02 0.02 0.06 -0.05 0.34 -0.16 -0.15 0.01 -0.03 0.05 0.13 0.13 0.03 -0.05 -0.01 -0.05 0.02 -0.03 0.02 0.04 -0.02 0.06 -0.03 -0.04 -0.04 0.02 -0.02 -0.01 -0.03 -0.01 0.01 -0.01 0.05 0.02 0.09 -0.11 -0.01 0.07 0.13 0.06 -0.01 0.00 -0.01 0.01 -0.02 -0.08 -0.06 -0.02 0.01 -0.04 -0.00 -0.03 -0.03 0.00 -0.03 -0.03 0.03 -0.01 0.10 -0.01 -0.02 -0.03 0.06 0.01 -0.01 0.01 -0.03 -0.07 -0.01 -0.10 -0.05 0.05 -0.00 0.05 0.04 -0.02 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.09 -0.05 0.02 0.01 -0.03 0.07 0.04 0.01 0.06 0.08 0.16 0.13 0.02 -0.07 0.06 0.02 -0.13 0.07 0.09 -0.22 -0.01 0.05 0.15 0.09 0.05 -0.14 0.08 0.10 0.28 0.02 0.03 -0.11 0.11 -0.18 -0.15 0.08 0.11 -0.04 -0.36 -0.04 0.09 0.15 -0.24 -0.03 0.10 -0.06 0.04 0.01 -0.11 0.07 -0.17 -0.11 0.01 -0.01 0.10 0.09 0.01 -0.04 0.10 0.04 0.02 -0.01 0.03 0.03 0.11 -0.07 -0.14 0.07 0.02 0.02 -0.04 0.07 0.19 0.20 0.04 -0.08 -0.02 -0.08 0.03 0.02 0.03 0.06 -0.02 0.07 -0.03 -0.01 -0.03 -0.00 -0.02 -0.00 -0.00 0.02 0.02 0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.06 0.01 0.10 -0.04 -0.04 -0.02 -0.03 -0.03 -0.09 -0.01 -0.04 -0.01 0.03 0.02 -0.02 -0.03 0.07 -0.05 -0.05 0.02 -0.02 -0.08 0.04 0.02 0.00 -0.05 -0.03 -0.01 0.01 -0.04 0.08 0.00 0.10 -0.00 0.02 0.00 0.00 -0.02 0.00 -0.01 -0.02 0.01 0.01 0.02 0.00 -0.01 0.00 0.00 -0.01 0.03 -0.06 -0.03 -0.00 -0.07 0.08 -0.02 0.14 -0.01 -0.14 0.06 -0.02 -0.15 0.04 0.01 -0.30 0.01 0.01 0.15 0.12 0.09 -0.08 0.08 0.15 0.43 -0.00 0.04 -0.11 0.12 0.12 0.02 -0.06 -0.12 0.14 0.28 0.03 -0.05 -0.06 0.20 -0.05 -0.13 -0.01 0.09 -0.02 0.14 -0.04 0.16 0.13 -0.01 0.06 -0.02 0.02 0.00 -0.00 -0.02 -0.02 0.01 -0.03 0.00 0.04 0.16 -0.09 -0.01 -0.02 0.00 0.01 0.04 -0.05 -0.21 -0.22 -0.04 0.10 0.03 0.11 0.02 0.01 0.01 -0.08 0.03 -0.11 -0.02 -0.01 -0.02 0.04 -0.01 -0.02 -0.07 0.02 -0.01 -0.09 0.01 0.03 0.04 -0.00 -0.01 0.07 0.03 0.05 -0.02 -0.04 -0.01 0.17 0.01 0.08 -0.03 -0.02 0.01 -0.13 -0.05 -0.00 -0.03 0.06 -0.03 0.08 0.00 0.05 -0.02 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.02 0.03 -0.00 0.03 -0.00 -0.06 -0.00 0.01 0.10 -0.01 0.01 0.02 -0.01 -0.03 -0.04 -0.00 0.03 -0.03 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.02 0.11 0.06 0.21 0.03 -0.18 0.12 -0.04 -0.12 0.04 0.12 0.47 -0.09 0.09 -0.27 -0.22 0.10 -0.04 0.05 0.14 0.34 -0.01 0.04 -0.14 0.10 0.03 -0.02 -0.01 -0.04 0.06 0.07 0.01 -0.01 0.00 0.05 -0.03 -0.04 -0.04 -0.13 0.04 0.05 -0.01 0.04 0.05 -0.00 0.03 0.15 -0.03 -0.00 0.05 0.08 -0.04 0.04 0.02 0.02 -0.06 -0.25 0.12 -0.01 0.06 -0.02 0.01 0.01 -0.00 -0.09 -0.07 0.00 0.01 0.02 0.06 -0.05 0.06 -0.03 0.01 -0.00 0.01 0.02 0.02 0.03 -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 -0.10 0.05 -0.03 -0.07 -0.00 0.00 -0.01 0.00 0.05 0.01 -0.02 0.01 0.00 0.00 -0.01 0.09 -0.02 -0.00 0.00 -0.00 0.02 -0.01 -0.02 0.04 -0.08 0.02 -0.00 0.01 -0.01 -0.07 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 0.02 -0.01 0.01 0.04 -0.05 0.05 0.01 -0.14 0.08 -0.01 -0.12 0.04 -0.05 -0.08 -0.00 -0.01 0.00 -0.00 -0.01 -0.03 -0.01 0.06 0.06 0.01 0.07 0.21 -0.02 0.02 -0.00 0.03 -0.05 0.14 0.03 0.02 0.00 -0.06 -0.01 -0.13 -0.27 0.07 0.19 0.04 0.00 0.02 -0.01 -0.12 -0.19 0.13 -0.13 -0.00 -0.36 -0.01 0.00 -0.00 0.00 -0.01 -0.03 0.02 0.00 0.02 0.00 0.02 -0.01 0.00 -0.01 0.00 -0.14 -0.08 -0.23 0.08 0.43 0.18 -0.25 -0.11 -0.27 -0.00 0.00 0.00 -0.09 0.03 -0.11 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.04 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.03 -0.01 -0.01 0.00 -0.03 0.11 -0.12 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.05 0.02 0.00 0.00 -0.00 0.00 -0.01 0.00 0.09 -0.10 0.17 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.01 0.01 -0.00 0.04 0.04 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 -0.01 -0.00 -0.02 0.03 -0.07 0.04 0.18 -0.31 0.02 0.06 0.44 0.24 -0.00 -0.05 0.02 0.01 0.08 0.02 0.01 0.03 0.03 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.00 0.05 -0.24 0.20 -0.00 -0.01 0.01 -0.01 -0.00 -0.02 0.00 0.01 0.00 0.00 -0.01 0.01 -0.38 -0.05 -0.36 0.03 -0.27 0.18 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.01 0.02 0.00 -0.01 -0.01 -0.02 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.01 0.01 -0.00 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 -0.02 -0.04 -0.13 0.04 0.10 0.01 -0.02 0.02 0.01 -0.03 0.02 -0.01 -0.01 0.00 0.01 0.02 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.02 0.04 -0.00 0.00 -0.01 0.01 0.04 -0.00 -0.03 -0.01 -0.01 0.03 0.02 -0.01 -0.03 0.05 0.01 -0.01 -0.00 0.00 -0.00 -0.08 -0.02 -0.01 0.01 -0.00 -0.02 0.02 0.02 -0.01 0.02 -0.03 -0.03 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.17 0.05 0.10 0.56 -0.19 -0.38 0.48 -0.19 -0.37 0.01 -0.14 0.06 0.00 0.00 -0.00 -0.02 -0.01 -0.03 0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.09 -0.02 0.01 0.10 -0.02 0.00 -0.00 -0.00 -0.03 -0.06 0.03 -0.01 -0.00 -0.01 -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 0.19 -0.03 -0.01 -0.09 0.02 -0.00 -0.00 -0.00 0.06 0.06 0.04 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.04 -0.04 -0.01 -0.04 0.03 0.02 0.17 -0.02 -0.01 0.16 -0.06 0.02 0.15 -0.05 0.01 -0.00 -0.00 0.01 0.01 0.00 -0.05 -0.07 -0.01 -0.06 -0.19 0.01 -0.03 -0.05 -0.02 0.01 0.05 -0.04 -0.01 0.20 0.07 -0.32 -0.08 -0.10 0.21 0.14 -0.05 -0.02 -0.05 0.01 0.18 -0.08 0.19 -0.13 0.01 -0.22 0.03 0.00 -0.01 0.02 -0.00 -0.01 0.02 0.01 0.04 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.13 -0.06 -0.35 0.10 0.26 0.06 -0.07 -0.15 -0.33 0.00 -0.00 -0.00 -0.01 0.05 -0.04 0.00 0.00 0.00 -0.00 0.02 0.02 -0.06 -0.03 0.00 0.04 -0.02 -0.01 -0.04 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.02 -0.01 -0.03 -0.01 0.02 -0.01 -0.02 0.01 0.00 -0.01 0.00 0.01 0.03 0.02 0.02 0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.07 -0.05 -0.04 0.00 -0.00 0.00 0.04 0.16 -0.01 0.02 -0.15 -0.00 0.05 0.04 0.03 0.00 -0.02 0.02 -0.03 0.03 0.00 -0.02 0.00 0.01 0.00 0.00 -0.01 0.03 0.00 0.12 0.03 -0.03 0.06 -0.06 0.05 -0.05 0.09 -0.03 -0.03 -0.03 0.01 0.04 0.03 0.04 -0.01 0.03 0.00 -0.03 -0.00 -0.08 -0.00 -0.01 -0.01 0.01 0.01 -0.02 -0.02 0.02 0.01 0.02 -0.03 -0.01 0.01 -0.27 -0.53 0.05 0.02 0.00 0.01 0.01 0.00 0.02 0.06 0.18 -0.00 0.10 -0.20 0.03 0.39 0.10 0.37 -0.00 -0.10 0.06 0.07 -0.21 -0.00 0.16 -0.05 -0.08 -0.09 0.01 0.05 0.08 -0.02 -0.03 -0.00 -0.00 -0.00 -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 0.01 0.01 -0.07 -0.01 0.01 0.01 -0.01 -0.00 -0.03 0.00 0.00 0.00 -0.01 -0.00 0.01 0.02 -0.02 0.07 -0.00 0.02 -0.00 0.01 0.00 -0.03 -0.00 -0.00 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.07 0.06 0.03 0.00 -0.00 -0.00 0.04 0.12 -0.01 0.02 -0.11 -0.00 -0.06 -0.05 -0.03 -0.02 -0.01 -0.01 -0.02 0.01 0.00 -0.02 0.01 0.02 0.00 -0.00 -0.00 0.05 0.00 0.15 0.04 -0.02 0.08 -0.08 0.09 -0.08 0.06 0.14 -0.04 0.04 -0.07 -0.05 0.04 0.06 -0.02 0.03 -0.03 -0.03 -0.01 -0.12 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.02 -0.00 0.01 0.02 -0.02 -0.01 0.01 0.26 0.52 -0.05 0.03 0.00 0.01 -0.01 0.00 0.01 0.11 0.15 -0.01 0.10 -0.16 0.01 -0.37 -0.11 -0.35 -0.02 0.02 -0.03 0.05 -0.17 -0.00 0.21 -0.07 -0.14 -0.09 0.02 0.06 0.13 -0.04 -0.08 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.00 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.04 0.02 -0.03 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 0.02 0.03 -0.01 -0.00 -0.00 -0.00 0.02 -0.02 0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.04 0.00 -0.01 0.04 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.05 0.02 0.03 -0.02 0.00 0.00 -0.04 0.02 -0.10 -0.02 -0.03 -0.03 0.06 -0.09 0.07 -0.02 -0.01 0.01 -0.01 0.01 0.00 -0.02 -0.01 0.01 -0.02 0.03 0.02 0.01 0.10 0.00 -0.03 -0.03 0.02 0.02 -0.02 -0.06 -0.03 0.02 0.05 -0.08 -0.02 0.02 -0.02 -0.03 0.00 0.07 -0.02 0.05 -0.01 0.01 0.03 -0.00 -0.04 -0.00 -0.01 0.04 -0.02 0.03 0.01 0.03 0.00 0.01 -0.00 -0.02 0.06 0.00 0.57 -0.19 -0.39 -0.20 0.02 0.12 0.47 -0.16 -0.31 -0.02 0.04 -0.02 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 -0.02 -0.01 -0.01 0.05 0.04 -0.00 0.01 0.00 0.01 0.00 -0.00 0.03 -0.08 0.11 0.02 0.17 -0.11 0.02 -0.01 -0.04 0.05 0.01 -0.04 0.03 0.00 -0.01 -0.08 -0.12 0.03 -0.02 0.00 0.00 -0.01 -0.03 0.01 0.02 0.01 -0.01 -0.00 -0.02 0.00 -0.03 -0.01 -0.01 -0.02 -0.07 0.01 -0.01 0.07 0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.02 -0.00 0.01 0.00 0.12 -0.29 0.33 0.05 0.20 0.06 -0.22 0.39 -0.27 -0.04 -0.10 0.00 0.05 0.04 0.01 0.07 -0.02 -0.02 0.07 -0.07 -0.07 -0.04 -0.41 0.01 -0.00 0.04 0.02 -0.01 -0.04 0.01 0.12 0.00 -0.03 -0.01 -0.02 0.00 -0.05 -0.09 0.02 -0.07 -0.00 -0.04 -0.01 -0.01 0.02 -0.06 -0.08 0.01 -0.05 0.08 -0.05 0.03 0.01 0.03 0.01 -0.00 0.00 -0.04 0.09 0.00 0.21 -0.05 -0.05 -0.06 -0.02 0.03 0.17 -0.03 -0.06 0.04 -0.02 0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.01 0.02 -0.01 -0.00 0.00 0.02 -0.01 0.00 0.01 -0.01 -0.03 0.02 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.12 0.06 0.03 0.18 0.04 -0.02 -0.00 0.00 -0.00 -0.12 -0.08 -0.08 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.03 -0.00 0.05 0.03 0.00 0.03 -0.02 0.07 -0.07 -0.02 0.00 -0.04 0.06 -0.04 0.06 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.05 0.02 -0.02 0.02 0.02 0.01 0.05 0.02 0.17 0.10 -0.08 -0.12 0.02 0.35 0.33 0.02 -0.12 0.46 -0.03 -0.18 0.00 -0.00 -0.00 -0.30 0.06 -0.27 -0.28 -0.04 0.01 0.10 0.03 -0.01 0.05 -0.03 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.20 -0.05 -0.01 0.05 0.11 0.06 0.03 -0.02 -0.04 -0.03 -0.03 -0.02 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.01 -0.01 0.03 0.01 -0.01 -0.05 0.01 0.01 -0.01 0.07 -0.00 0.02 -0.00 0.02 -0.02 0.00 -0.01 -0.02 0.00 0.01 0.01 -0.00 0.01 0.02 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.04 0.07 0.08 0.01 -0.04 -0.11 -0.00 -0.00 0.00 -0.07 0.03 0.03 0.03 -0.03 -0.01 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.07 -0.04 0.02 0.04 -0.04 -0.00 -0.01 0.02 -0.02 -0.01 0.01 -0.05 -0.04 0.05 -0.06 0.02 0.02 -0.01 -0.03 -0.01 0.01 -0.01 0.01 0.00 -0.03 0.00 -0.01 -0.03 -0.05 0.01 -0.00 0.06 -0.02 -0.25 0.07 0.20 0.03 0.12 -0.19 0.31 -0.06 -0.11 -0.17 -0.09 -0.03 0.00 -0.01 -0.00 0.00 -0.10 0.15 0.16 -0.01 -0.06 0.63 0.12 -0.08 0.17 -0.11 -0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.14 0.12 0.01 0.03 0.02 0.15 -0.09 -0.11 -0.01 0.10 0.03 0.08 0.02 0.03 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.04 0.00 -0.02 -0.05 0.01 0.01 -0.02 0.08 -0.00 -0.01 -0.02 0.01 0.01 0.03 0.01 -0.03 0.00 0.01 0.01 0.01 -0.02 0.02 -0.00 0.00 -0.02 -0.01 -0.02 -0.00 -0.00 -0.00 -0.03 -0.08 -0.08 -0.03 0.03 0.10 -0.00 -0.00 -0.00 0.07 -0.02 -0.02 0.03 -0.04 -0.01 0.02 -0.03 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.07 -0.04 0.02 -0.03 0.03 -0.00 0.01 -0.02 0.01 -0.01 -0.12 -0.02 0.01 0.01 -0.00 0.04 -0.01 0.04 -0.02 -0.00 0.01 -0.03 -0.00 0.01 0.02 -0.09 0.04 0.03 0.10 0.01 0.01 -0.06 0.05 0.20 -0.07 -0.17 -0.01 -0.13 0.13 -0.30 0.05 0.11 0.08 0.09 0.05 -0.01 -0.01 -0.00 0.03 0.08 -0.11 -0.09 0.02 0.05 0.69 0.12 -0.09 0.17 -0.11 -0.01 0.02 0.00 0.01 0.01 0.02 -0.00 -0.16 0.14 0.01 -0.07 0.00 -0.10 0.07 0.08 0.00 -0.13 -0.01 -0.02 0.02 0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.02 -0.02 -0.00 -0.03 -0.02 -0.04 0.05 0.09 -0.00 0.00 0.01 -0.00 0.01 0.00 0.03 0.04 0.00 -0.04 -0.14 -0.10 0.05 -0.02 -0.04 -0.03 0.01 0.01 0.03 0.01 -0.01 0.07 0.07 0.10 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.04 -0.00 -0.00 0.01 -0.00 0.01 0.02 -0.00 0.02 0.02 0.01 -0.02 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.04 0.21 0.12 -0.00 -0.06 0.12 -0.29 0.07 -0.26 -0.11 -0.10 0.02 0.11 0.04 -0.03 -0.02 0.48 -0.18 -0.07 -0.44 -0.08 -0.04 0.14 -0.25 0.05 -0.05 -0.04 -0.01 -0.01 0.05 -0.05 0.02 0.03 0.06 0.01 -0.01 -0.06 -0.10 0.02 -0.01 0.02 -0.04 -0.05 -0.00 0.02 0.16 0.00 -0.02 -0.02 0.02 0.01 -0.05 0.01 -0.06 0.03 -0.02 0.03 -0.07 0.13 0.00 -0.01 -0.00 -0.03 0.02 0.03 0.00 -0.03 -0.01 -0.02 0.00 -0.00 0.00 0.06 0.20 -0.06 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.03 -0.02 0.00 0.04 -0.05 -0.01 0.01 -0.01 0.03 0.01 -0.00 0.01 0.01 0.02 -0.02 -0.06 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.10 -0.01 0.11 0.00 -0.00 -0.00 0.00 -0.03 -0.00 -0.01 0.00 0.00 -0.03 -0.12 0.05 -0.17 -0.15 -0.09 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.03 0.01 -0.02 0.04 -0.06 0.01 -0.05 0.06 -0.08 -0.01 -0.00 0.12 0.06 0.00 0.09 -0.03 -0.00 -0.07 -0.02 -0.01 0.01 -0.04 0.01 -0.02 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.26 0.37 0.05 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.07 -0.01 -0.01 -0.03 0.02 0.01 0.41 -0.07 0.48 -0.16 0.19 -0.29 -0.05 0.12 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.03 -0.03 -0.01 0.00 0.00 0.00 -0.02 -0.12 0.01 -0.06 0.01 -0.03 0.05 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.03 0.01 0.01 -0.03 0.01 -0.00 0.01 0.01 0.00 0.00 0.02 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.06 -0.04 -0.01 -0.06 -0.07 0.01 -0.00 0.01 -0.01 0.01 0.00 0.01 0.05 0.19 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.04 0.05 0.09 -0.07 0.13 -0.04 -0.04 0.01 0.04 0.03 -0.02 -0.05 -0.03 0.02 0.07 0.01 0.02 0.06 0.09 -0.03 0.00 -0.13 0.03 -0.02 -0.02 0.01 0.00 0.02 0.00 0.02 -0.00 -0.00 0.01 -0.01 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.21 -0.00 -0.02 -0.29 0.04 0.05 -0.03 0.00 -0.04 0.01 -0.04 0.04 -0.21 0.80 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.02 0.08 -0.03 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.01 0.03 0.00 -0.03 -0.02 0.01 -0.01 -0.08 0.01 0.19 -0.06 0.09 -0.16 0.05 -0.01 -0.01 0.01 0.01 -0.00 -0.07 0.07 -0.08 -0.02 -0.01 0.08 -0.04 -0.02 0.00 0.00 0.00 -0.00 -0.04 -0.05 -0.01 -0.02 0.05 0.00 0.00 0.01 0.02 0.03 -0.02 0.04 0.05 -0.01 -0.03 -0.05 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.04 0.10 -0.01 -0.01 -0.02 0.03 -0.00 0.01 -0.01 0.09 0.19 -0.14 -0.29 0.22 -0.43 0.19 0.14 -0.00 0.04 0.02 0.00 0.01 0.01 -0.00 -0.20 -0.15 -0.00 -0.17 -0.15 0.11 0.00 0.35 -0.04 0.06 0.09 -0.06 -0.02 0.02 0.03 -0.03 -0.05 -0.09 -0.03 0.09 0.08 0.01 0.00 0.00 -0.13 -0.02 -0.07 0.08 0.02 -0.02 0.07 0.06 -0.01 -0.05 -0.04 0.02 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.24 -0.01 0.06 -0.01 0.06 -0.02 -0.06 -0.02 0.04 0.03 0.06 -0.01 0.03 -0.05 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.00 0.04 -0.03 0.03 -0.04 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.05 0.11 0.03 0.10 -0.11 -0.00 -0.00 0.00 -0.02 -0.11 0.07 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 0.02 -0.00 0.01 0.08 -0.09 0.01 -0.04 0.04 0.02 -0.01 -0.02 -0.07 0.05 -0.10 0.04 0.04 -0.00 0.02 0.01 -0.00 -0.01 -0.00 0.00 -0.04 -0.04 0.00 -0.04 -0.02 0.03 0.00 0.07 -0.01 -0.09 -0.11 0.14 0.01 -0.11 -0.10 -0.07 0.18 0.35 0.05 -0.25 -0.17 0.01 0.00 -0.00 0.40 0.09 0.17 -0.29 -0.07 0.11 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.04 -0.00 -0.26 0.05 -0.24 0.10 0.23 0.07 -0.17 -0.09 -0.20 0.00 -0.00 0.00 -0.10 -0.10 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.00 -0.02 -0.02 -0.00 0.00 0.00 -0.02 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.02 0.03 0.03 0.00 0.00 -0.01 -0.03 -0.01 0.00 -0.01 0.00 0.01 -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.06 0.06 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.01 -0.00 0.03 -0.03 0.06 0.05 0.15 -0.05 0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.02 0.02 0.03 -0.04 -0.02 -0.01 0.03 0.14 -0.01 0.18 0.08 -0.08 0.02 0.04 -0.01 0.02 -0.01 -0.02 -0.01 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 0.06 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.03 -0.03 -0.00 0.25 0.01 0.27 0.10 0.74 -0.38 0.03 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.03 0.04 -0.02 -0.02 -0.01 -0.01 -0.03 0.00 0.00 0.05 0.03 0.09 -0.16 -0.19 -0.01 0.04 -0.01 -0.00 0.00 -0.00 0.03 0.07 0.22 -0.06 -0.04 -0.09 -0.14 0.02 0.04 -0.03 0.11 -0.10 0.02 0.00 0.03 0.02 0.02 0.06 0.09 0.00 0.05 0.00 0.02 0.00 -0.01 -0.00 0.01 -0.02 0.03 -0.04 0.00 0.00 -0.01 -0.02 -0.02 0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.02 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.06 -0.18 0.21 -0.06 0.10 -0.00 -0.13 -0.05 -0.09 0.48 0.17 -0.12 -0.34 -0.09 0.13 -0.03 0.25 -0.09 -0.02 -0.22 -0.04 -0.04 0.02 -0.15 0.03 -0.16 -0.03 0.00 -0.00 0.03 0.03 -0.01 -0.02 0.04 0.01 -0.01 0.04 0.18 -0.08 -0.03 0.00 -0.03 0.02 0.00 0.01 -0.11 -0.05 0.02 0.03 -0.03 -0.01 0.04 0.00 0.05 -0.02 -0.10 0.07 0.03 -0.04 0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.02 -0.02 -0.09 -0.06 -0.06 0.01 0.01 -0.00 -0.02 0.01 0.01 -0.12 -0.04 0.07 0.14 0.01 -0.03 -0.00 0.08 -0.00 0.03 -0.04 -0.05 -0.03 0.02 0.03 0.02 -0.03 -0.08 -0.01 -0.04 0.05 0.08 0.04 0.00 0.02 -0.01 -0.03 0.14 0.05 0.13 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.04 -0.04 -0.00 -0.00 0.00 -0.01 -0.07 0.00 -0.01 0.01 0.00 -0.04 -0.05 -0.01 0.03 0.07 -0.02 -0.07 -0.07 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.22 0.05 -0.04 -0.06 -0.06 0.08 0.11 -0.00 0.31 -0.05 -0.10 -0.51 -0.16 0.30 -0.06 -0.13 0.03 -0.04 0.03 0.04 0.02 0.09 0.02 -0.00 0.05 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.02 0.00 0.01 0.06 0.21 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.08 -0.00 -0.22 0.13 0.03 0.17 -0.02 0.19 0.03 0.10 -0.04 -0.17 0.14 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.04 -0.10 0.06 -0.02 -0.01 -0.01 0.01 -0.03 0.02 0.00 -0.03 -0.02 -0.03 0.08 0.10 -0.05 -0.01 0.02 0.01 -0.02 -0.00 0.03 -0.06 -0.05 -0.09 0.00 0.05 0.04 -0.02 -0.03 -0.06 0.23 -0.17 -0.00 0.00 -0.01 0.06 -0.00 -0.05 0.03 0.02 0.03 0.01 0.05 0.02 -0.01 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.02 -0.00 0.00 0.02 -0.00 -0.01 -0.02 -0.00 0.01 0.01 -0.00 0.02 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.12 -0.64 0.02 -0.09 -0.23 -0.09 0.13 0.15 0.00 -0.11 -0.11 0.03 -0.04 -0.01 0.04 -0.14 -0.18 0.02 -0.12 0.01 0.11 0.04 0.25 0.03 0.01 -0.31 -0.03 0.03 -0.04 0.02 0.06 -0.02 -0.03 0.08 -0.00 -0.03 -0.01 0.01 0.01 -0.04 -0.00 -0.03 0.06 0.01 0.03 -0.00 0.02 -0.00 0.04 -0.02 -0.02 0.01 -0.01 0.03 0.02 0.06 -0.04 0.05 -0.05 -0.01 0.02 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 0.05 0.02 0.04 0.01 -0.01 0.01 -0.01 0.05 0.03 -0.10 -0.06 -0.08 0.18 0.01 -0.04 0.01 0.10 -0.01 0.04 -0.03 0.02 -0.06 0.01 0.03 0.04 0.03 0.06 -0.03 0.06 -0.03 -0.02 0.00 0.02 0.03 -0.01 -0.03 -0.13 -0.07 -0.13 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.05 0.03 0.01 -0.01 0.01 0.00 -0.05 0.00 -0.03 -0.04 0.01 0.06 0.05 0.03 -0.01 -0.03 0.01 -0.06 -0.07 0.01 -0.01 0.02 -0.01 0.00 -0.00 0.01 0.11 0.04 0.26 -0.07 -0.08 -0.07 0.07 0.11 -0.01 0.12 0.30 -0.05 0.36 0.09 -0.20 -0.08 -0.10 0.01 -0.07 0.02 0.07 0.02 0.15 0.03 -0.01 -0.12 -0.00 0.00 0.06 -0.00 0.06 -0.02 -0.03 0.05 -0.01 -0.03 -0.04 -0.12 0.04 -0.11 0.00 -0.07 0.10 0.00 0.08 -0.01 -0.07 -0.00 -0.41 0.17 0.04 -0.12 0.03 -0.15 -0.00 0.10 -0.05 -0.19 0.19 0.02 0.00 0.01 -0.03 0.03 0.03 0.01 -0.01 -0.01 -0.03 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.02 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.04 0.01 -0.02 -0.05 -0.02 0.01 0.00 0.01 -0.00 0.03 -0.07 0.04 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 0.01 -0.00 -0.05 0.09 -0.07 0.03 -0.03 0.05 -0.02 0.02 -0.04 0.01 0.02 0.01 -0.01 -0.02 0.00 -0.02 -0.03 0.01 -0.03 -0.01 0.01 0.02 0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.03 -0.00 -0.04 0.00 0.01 -0.01 0.18 -0.03 0.36 -0.08 -0.18 -0.05 -0.00 0.01 0.00 -0.00 -0.00 -0.37 0.04 -0.25 0.48 -0.02 0.44 0.02 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.02 -0.03 -0.00 -0.03 0.06 -0.16 0.14 0.22 0.06 -0.11 -0.05 -0.11 0.00 -0.00 0.00 0.02 -0.01 0.04 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.03 -0.03 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.02 -0.00 -0.00 0.01 0.03 0.06 -0.03 0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.00 -0.01 -0.05 -0.12 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.11 -0.13 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.04 0.09 -0.02 0.02 0.07 -0.03 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 -0.02 0.00 0.01 0.03 -0.01 0.19 0.10 -0.06 0.03 0.13 0.06 -0.01 -0.02 0.00 -0.01 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.21 0.64 -0.19 -0.00 0.00 -0.00 0.02 -0.00 0.01 -0.01 0.00 0.00 0.07 -0.03 -0.01 0.25 0.14 0.18 -0.03 -0.42 0.25 0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.04 0.01 -0.04 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.02 0.01 0.01 0.01 -0.04 -0.00 0.02 0.01 -0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 -0.00 -0.02 0.00 0.01 0.01 0.00 0.01 0.05 -0.01 0.08 -0.03 -0.02 -0.03 -0.00 -0.00 -0.00 0.06 0.04 0.00 0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.02 -0.02 0.04 0.00 0.02 -0.01 -0.04 0.03 -0.09 -0.00 0.09 -0.02 -0.01 -0.07 0.02 -0.03 -0.03 0.01 0.01 0.01 -0.00 0.04 0.04 -0.00 0.03 0.01 -0.02 -0.01 -0.06 -0.00 -0.06 -0.38 0.07 -0.03 0.28 -0.08 -0.29 0.03 0.16 0.45 -0.11 -0.27 0.01 0.04 -0.01 -0.42 -0.03 -0.22 -0.06 0.03 -0.11 0.08 0.03 -0.01 -0.14 0.07 0.02 0.03 0.00 0.03 -0.00 -0.04 0.02 0.02 -0.05 -0.00 -0.01 -0.04 -0.03 0.00 -0.06 -0.04 0.02 0.03 0.05 -0.02 0.01 -0.02 0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.04 -0.03 -0.01 -0.06 0.17 0.02 -0.06 -0.04 0.01 -0.01 -0.00 -0.02 -0.02 0.00 0.03 0.02 0.00 0.00 0.00 -0.02 0.03 0.10 0.01 0.00 0.03 -0.01 -0.03 -0.03 -0.01 -0.03 0.02 -0.01 0.03 -0.02 -0.01 -0.01 0.00 0.00 0.01 0.03 0.01 0.01 -0.02 -0.05 0.00 0.06 -0.03 -0.01 0.02 0.01 0.01 -0.00 -0.02 0.01 0.03 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.04 0.16 0.20 0.02 -0.19 0.06 -0.01 0.23 -0.10 0.07 0.08 -0.04 -0.11 -0.06 0.04 -0.06 -0.11 0.02 -0.04 0.03 0.05 0.03 0.10 0.03 -0.03 -0.11 0.03 -0.00 0.09 -0.04 -0.10 0.01 0.06 0.17 -0.04 -0.11 -0.04 -0.10 0.02 -0.18 0.00 -0.10 -0.00 0.01 -0.03 -0.28 -0.12 0.05 0.56 -0.31 -0.07 -0.07 -0.01 -0.07 0.01 0.11 -0.06 -0.03 0.13 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.02 0.04 0.01 -0.02 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.04 0.02 0.04 0.01 0.04 0.00 -0.02 -0.00 0.00 0.05 -0.08 -0.00 0.04 -0.01 -0.01 0.02 0.00 -0.01 -0.04 0.07 -0.03 0.01 0.00 -0.00 -0.07 0.02 0.04 -0.02 -0.01 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.16 -0.30 -0.11 0.53 -0.26 0.07 -0.37 0.19 0.14 0.08 -0.05 -0.10 -0.04 0.06 0.13 0.14 0.00 0.12 0.01 -0.11 -0.05 -0.21 -0.03 0.02 -0.12 -0.03 0.01 -0.04 0.01 0.05 -0.01 -0.03 -0.00 0.02 0.01 -0.02 -0.03 0.01 0.06 0.01 0.03 0.01 0.00 0.01 -0.15 -0.05 0.02 0.21 -0.11 -0.01 -0.05 -0.00 -0.05 0.00 0.06 -0.03 -0.09 0.16 0.01 0.02 0.01 0.03 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 0.00 0.00 0.00 0.01 0.01 0.02 0.01 -0.02 0.08 -0.04 -0.02 -0.04 0.00 0.01 -0.01 0.03 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.02 0.00 -0.07 -0.02 0.00 0.01 -0.00 0.01 0.04 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.09 0.05 -0.01 -0.04 0.05 0.00 -0.03 -0.02 -0.02 0.01 0.03 -0.01 -0.03 -0.09 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.05 -0.20 0.10 0.00 -0.07 0.02 0.02 -0.11 0.07 -0.23 -0.13 0.09 0.24 0.09 -0.12 -0.02 0.03 -0.01 -0.03 -0.04 0.02 -0.00 0.02 -0.01 -0.01 0.04 0.02 0.01 -0.02 -0.01 -0.03 0.00 0.01 0.02 -0.01 -0.02 0.03 0.07 -0.01 -0.04 0.01 -0.03 0.02 -0.00 0.00 -0.30 -0.05 0.04 0.46 -0.21 -0.06 0.09 0.00 0.10 -0.00 -0.13 0.07 -0.28 0.47 0.03 -0.04 -0.02 -0.04 0.01 0.01 0.00 0.01 0.02 0.03 0.00 -0.01 0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.03 -0.01 -0.02 0.01 0.02 -0.04 0.02 0.21 0.00 0.03 0.05 -0.01 0.01 -0.03 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.02 -0.01 -0.07 -0.04 0.02 -0.02 -0.00 0.01 0.06 0.03 0.06 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.08 -0.07 0.01 0.02 -0.18 0.01 -0.05 -0.03 -0.03 0.01 0.05 -0.02 0.04 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.10 0.06 -0.04 0.14 -0.08 0.02 -0.11 0.07 -0.50 -0.26 0.18 0.39 0.14 -0.19 0.04 0.04 -0.01 0.02 0.02 -0.01 -0.01 -0.03 0.01 0.01 -0.04 -0.02 -0.01 0.03 0.02 0.03 -0.00 -0.01 -0.02 0.01 0.02 0.06 0.12 -0.01 0.05 0.00 0.03 -0.01 -0.00 0.00 -0.05 -0.06 0.01 -0.30 -0.02 0.04 0.16 0.00 0.18 -0.01 -0.22 0.12 0.07 -0.05 -0.00 0.02 0.01 0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.04 -0.01 -0.05 0.00 -0.01 -0.01 0.00 -0.01 -0.06 0.04 0.04 -0.04 0.03 -0.01 -0.00 0.01 -0.04 0.05 -0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.04 0.02 0.01 0.02 0.01 0.01 -0.00 -0.01 0.01 0.03 0.01 0.01 0.00 -0.01 -0.00 -0.02 0.02 0.02 -0.00 -0.00 0.05 -0.00 -0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.02 -0.01 -0.01 -0.03 0.00 -0.12 0.52 -0.08 0.03 0.03 0.04 -0.11 0.40 -0.24 -0.15 -0.08 0.06 0.15 0.05 -0.08 0.05 -0.07 0.01 0.03 0.14 0.01 0.02 0.06 0.08 0.08 -0.31 -0.08 -0.04 0.20 0.03 0.16 -0.02 -0.05 0.00 0.06 0.04 0.01 0.02 0.00 0.19 0.01 0.09 -0.07 0.00 -0.02 -0.01 0.01 0.00 0.10 0.00 0.00 0.04 -0.00 0.05 -0.00 -0.07 0.04 -0.03 0.02 0.00 0.14 0.08 0.19 -0.01 -0.00 0.00 -0.07 -0.05 -0.07 -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.02 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.04 -0.02 -0.02 0.03 -0.02 0.01 0.00 -0.00 0.03 -0.04 0.02 -0.01 -0.00 0.00 0.01 0.00 0.02 -0.01 -0.01 -0.01 0.03 -0.02 -0.02 -0.01 0.03 0.04 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.00 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 0.01 0.03 -0.01 -0.02 -0.05 -0.00 0.07 -0.30 0.07 -0.00 -0.07 0.01 0.06 -0.20 0.13 0.06 0.03 -0.02 -0.08 -0.03 0.04 -0.04 0.02 -0.01 -0.03 -0.08 0.00 -0.00 -0.02 -0.04 0.09 -0.33 -0.09 -0.13 0.55 0.08 0.23 -0.00 -0.05 -0.02 0.08 0.06 -0.01 -0.01 -0.00 0.23 0.02 0.10 -0.19 -0.00 -0.06 -0.02 -0.00 0.00 -0.01 -0.02 -0.01 -0.02 0.00 -0.02 0.00 0.03 -0.02 -0.01 0.02 0.00 0.21 0.11 0.27 -0.02 -0.02 -0.00 -0.11 -0.08 -0.12 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 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.02 -0.00 -0.03 -0.02 0.00 0.00 0.00 -0.01 0.04 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 -0.03 -0.02 -0.09 0.01 0.01 -0.02 0.03 -0.00 -0.01 -0.00 0.01 -0.03 0.02 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.05 0.16 0.06 0.08 -0.32 -0.08 -0.26 0.01 0.09 0.19 -0.03 -0.11 0.00 0.00 -0.00 -0.05 0.00 -0.00 0.23 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 0.46 0.23 0.54 0.02 0.04 0.02 -0.19 -0.14 -0.20 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.02 0.03 0.02 -0.05 -0.05 -0.06 -0.00 -0.06 -0.00 -0.06 -0.06 0.01 0.02 -0.04 -0.06 -0.04 0.05 -0.01 0.02 0.01 0.01 -0.02 0.01 0.01 0.11 0.03 -0.01 0.00 0.01 0.03 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.04 0.00 0.05 0.09 -0.01 -0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.03 0.09 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.19 0.16 0.54 -0.07 0.05 -0.13 0.13 -0.39 0.27 -0.30 -0.11 0.11 0.13 0.02 -0.09 -0.03 0.03 0.00 -0.01 -0.09 -0.01 -0.01 -0.06 -0.05 0.00 -0.04 -0.01 0.01 -0.02 -0.01 0.03 -0.01 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.19 0.01 -0.03 0.12 0.06 -0.03 0.06 0.00 0.06 0.00 -0.07 0.04 0.11 -0.26 -0.01 -0.02 -0.01 -0.03 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 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 -0.02 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.03 -0.02 0.04 -0.00 -0.00 -0.00 -0.13 0.01 -0.08 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.02 0.02 0.03 0.01 0.00 -0.01 0.01 0.01 -0.04 0.02 0.00 -0.02 0.01 0.00 -0.00 -0.00 -0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.10 -0.26 -0.06 -0.02 0.04 -0.02 -0.26 -0.01 0.03 0.28 0.02 -0.07 -0.00 0.00 -0.00 0.40 0.04 0.19 0.61 0.03 0.23 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.08 -0.07 -0.09 0.06 0.17 0.05 0.17 0.07 0.16 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.07 0.01 0.03 0.04 0.01 -0.00 -0.05 -0.04 0.01 0.01 0.07 -0.01 0.01 -0.06 0.03 -0.06 -0.07 0.02 0.02 -0.03 0.01 0.03 0.00 -0.01 -0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.02 -0.00 -0.01 0.04 0.05 0.01 -0.01 0.00 -0.00 -0.02 -0.04 0.00 0.05 0.03 -0.01 -0.06 -0.04 -0.04 0.02 0.03 0.00 -0.02 0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.37 -0.23 -0.06 0.23 -0.11 -0.01 0.17 -0.10 0.35 0.22 -0.15 0.46 0.25 -0.11 0.07 0.06 -0.03 0.03 0.10 0.01 -0.01 0.07 0.06 -0.00 0.03 0.01 -0.03 0.09 0.02 -0.07 0.01 0.04 -0.02 0.01 0.01 -0.02 -0.10 0.04 0.00 0.00 0.00 0.04 0.00 0.01 0.10 -0.02 -0.01 0.11 0.00 -0.02 0.10 -0.01 0.12 0.00 -0.14 0.10 0.06 -0.15 -0.01 0.01 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.02 0.01 0.01 0.01 -0.00 -0.01 0.03 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.01 0.15 -0.02 -0.07 -0.00 -0.01 -0.00 -0.02 0.01 0.03 0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.01 0.01 0.03 0.00 0.09 -0.04 0.11 -0.07 -0.00 0.05 -0.02 -0.09 -0.05 0.04 -0.07 -0.05 0.01 0.02 0.01 -0.00 0.01 0.03 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.01 -0.14 0.39 0.23 -0.47 0.08 0.26 -0.48 0.09 0.26 0.00 0.01 -0.00 -0.21 -0.03 -0.05 0.17 -0.00 0.04 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.02 0.00 0.04 0.03 0.02 0.01 0.03 0.01 -0.01 -0.02 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.02 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.08 -0.04 0.01 -0.12 0.07 0.04 0.04 -0.00 0.01 -0.03 0.01 0.00 0.01 0.01 -0.03 -0.00 -0.02 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.04 0.01 0.02 -0.02 -0.02 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.02 0.02 0.02 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.16 -0.27 0.33 -0.18 0.54 -0.29 -0.00 0.29 -0.16 -0.22 -0.12 0.09 -0.19 -0.12 0.03 0.11 0.06 -0.02 0.04 0.14 -0.00 -0.01 0.04 0.08 -0.03 0.09 0.03 0.01 -0.01 -0.03 0.09 -0.01 -0.05 0.15 -0.03 -0.08 0.01 0.05 -0.02 0.07 0.01 0.02 -0.02 0.00 -0.01 -0.01 0.01 0.00 -0.04 0.01 -0.01 -0.04 0.01 -0.04 -0.00 0.05 -0.04 -0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.02 0.00 -0.00 0.20 0.04 -0.04 -0.15 -0.08 0.03 -0.00 0.02 0.05 0.01 -0.01 -0.01 0.05 0.05 -0.02 0.01 0.01 -0.01 -0.16 -0.03 0.02 -0.00 -0.01 -0.00 0.03 0.02 0.04 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.06 -0.06 -0.03 0.00 0.00 0.01 -0.05 -0.11 0.01 0.11 0.05 -0.02 0.08 0.05 0.05 -0.03 -0.05 -0.00 -0.07 0.13 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.12 -0.12 -0.39 0.05 -0.06 0.10 -0.04 0.11 -0.09 -0.25 -0.22 0.13 -0.23 -0.15 0.01 0.01 0.03 -0.03 0.03 0.06 0.01 -0.01 0.05 -0.00 0.03 -0.07 -0.02 0.00 -0.03 -0.01 -0.01 -0.00 0.00 -0.06 0.01 0.03 0.02 0.16 -0.07 -0.03 -0.00 -0.01 -0.01 -0.00 -0.00 0.24 -0.06 -0.03 0.27 -0.02 -0.03 -0.16 0.02 -0.18 -0.01 0.19 -0.14 0.09 -0.27 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.02 -0.01 -0.02 0.01 -0.03 0.03 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.04 -0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 0.03 -0.00 0.02 -0.01 0.02 0.01 0.00 -0.01 0.04 -0.02 0.03 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.06 -0.10 -0.05 -0.04 0.04 0.01 0.00 -0.01 0.00 -0.02 0.00 -0.03 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.06 -0.01 -0.23 0.03 -0.08 0.05 0.00 -0.03 0.02 -0.13 -0.06 0.05 -0.02 -0.04 -0.03 -0.00 0.03 -0.02 0.03 0.03 0.00 -0.02 0.05 -0.03 -0.30 0.59 0.22 -0.10 0.43 0.21 -0.04 0.05 0.04 0.27 -0.08 -0.16 0.00 0.00 0.00 0.14 -0.00 0.06 0.01 0.01 0.03 -0.02 -0.01 0.00 0.01 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.02 0.04 0.01 0.03 0.01 0.04 0.00 -0.02 0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.09 0.07 0.04 0.03 0.00 -0.00 -0.01 -0.01 0.00 -0.04 -0.05 -0.07 0.00 -0.01 0.02 -0.10 -0.07 -0.02 -0.02 0.03 -0.01 -0.06 -0.02 0.00 -0.00 0.01 -0.01 0.07 0.01 0.06 0.02 -0.03 -0.02 -0.01 0.01 0.00 -0.05 -0.02 -0.04 -0.01 -0.00 -0.01 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.06 0.04 0.04 -0.03 -0.06 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.11 0.28 0.52 -0.04 0.06 -0.09 -0.01 -0.03 0.02 0.38 0.12 -0.16 0.28 0.23 -0.00 0.03 -0.01 0.01 -0.04 -0.02 0.01 0.02 -0.03 0.06 -0.11 0.20 0.08 -0.04 0.17 0.09 -0.01 0.02 0.02 0.09 -0.02 -0.05 -0.00 0.10 -0.07 0.05 -0.00 0.02 0.00 0.00 0.01 0.05 0.01 -0.01 0.05 -0.03 -0.01 -0.15 0.00 -0.17 -0.01 0.18 -0.13 0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 0.02 0.00 0.01 0.00 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.02 0.00 0.00 0.00 -0.01 0.01 0.01 -0.04 -0.01 -0.01 -0.04 -0.01 0.01 0.02 0.01 -0.00 0.01 0.00 0.00 -0.01 0.03 -0.01 -0.02 -0.01 -0.00 0.01 -0.01 0.01 0.06 0.01 -0.01 -0.02 -0.12 0.03 0.05 0.01 0.04 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.04 -0.03 -0.02 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.05 0.03 0.03 -0.02 -0.04 0.00 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.06 -0.09 0.03 -0.08 0.05 0.04 -0.10 0.07 -0.04 -0.05 0.02 0.17 0.08 -0.07 0.10 0.42 -0.27 0.26 0.42 0.07 -0.13 0.51 -0.09 0.05 -0.09 -0.04 0.01 -0.06 -0.04 0.01 -0.01 -0.01 -0.04 0.01 0.02 0.01 0.09 -0.05 -0.02 0.00 -0.01 0.00 -0.00 -0.01 -0.04 0.00 0.00 -0.04 0.01 0.00 -0.10 0.01 -0.12 -0.01 0.13 -0.09 -0.01 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 0.03 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.09 0.04 0.03 0.05 0.01 -0.01 -0.02 -0.01 0.00 -0.03 -0.03 -0.03 0.00 0.01 0.00 0.02 0.02 -0.00 -0.01 0.02 -0.01 -0.09 -0.02 0.01 -0.01 -0.08 0.02 -0.09 -0.02 -0.07 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.06 0.05 0.04 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.07 -0.05 -0.05 0.03 0.06 -0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 0.18 0.31 0.01 -0.04 -0.00 -0.01 -0.03 0.02 0.16 0.10 -0.06 -0.35 -0.16 0.14 0.06 0.29 -0.19 0.20 0.32 0.05 -0.10 0.36 -0.08 -0.04 0.05 0.03 -0.01 0.04 0.03 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.02 -0.16 0.09 0.01 -0.00 0.01 -0.00 0.00 0.00 0.06 0.01 -0.01 0.06 -0.03 -0.01 0.16 -0.01 0.18 0.01 -0.20 0.15 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.05 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 -0.04 -0.07 -0.02 -0.03 -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 0.01 -0.01 -0.01 0.00 -0.03 -0.01 0.07 0.02 0.11 -0.03 0.12 0.02 0.00 0.00 0.00 -0.07 -0.27 0.13 -0.28 0.07 0.15 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 0.13 0.04 0.19 0.24 0.55 0.05 0.35 0.09 0.45 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 -0.01 -0.03 -0.04 -0.03 0.00 -0.00 0.00 -0.01 -0.02 0.05 -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 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.00 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.09 -0.01 0.02 0.01 -0.05 0.09 0.24 0.05 0.45 0.10 0.52 0.02 0.00 -0.00 0.00 0.09 0.40 -0.19 0.17 -0.13 -0.41 0.02 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 0.02 -0.01 -0.00 0.03 0.08 0.01 0.07 0.01 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 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.02 0.02 -0.05 -0.02 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.04 0.18 0.30 0.34 0.09 -0.01 -0.38 0.42 -0.13 -0.02 0.31 0.47 -0.16 -0.06 0.01 0.10 0.08 -0.03 -0.05 -0.05 -0.21 -0.02 -0.01 0.01 0.00 -0.01 0.02 0.01 0.00 0.03 0.01 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.02 -0.04 -0.03 0.00 -0.00 0.00 -0.00 0.02 -0.07 0.01 -0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.01 0.02 0.01 0.02 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.02 -0.02 0.01 -0.00 -0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 -0.01 0.02 0.01 -0.06 0.05 0.17 0.04 0.41 0.12 0.46 -0.00 0.00 -0.00 0.00 -0.07 -0.40 0.18 -0.11 0.13 0.45 -0.03 -0.01 0.01 -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.07 -0.02 -0.06 -0.09 -0.23 -0.02 -0.15 -0.02 -0.18 -0.00 0.02 -0.02 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 0.03 -0.06 0.01 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 -0.59 -0.35 0.16 0.10 -0.26 0.63 -0.03 -0.01 -0.11 -0.03 -0.10 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.02 -0.02 0.01 0.02 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 0.01 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 0.02 0.00 0.00 -0.05 0.01 0.01 -0.05 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.11 -0.02 -0.02 0.11 -0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.05 -0.06 -0.08 -0.08 0.02 -0.14 0.16 -0.05 -0.06 0.10 0.21 0.26 0.28 -0.14 -0.37 -0.08 0.23 0.15 0.00 0.54 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.05 -0.02 0.02 -0.02 -0.06 -0.21 -0.11 0.04 -0.23 0.18 0.03 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.07 -0.01 0.01 0.01 -0.00 0.00 0.01 0.03 0.00 0.03 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 0.01 -0.06 0.01 0.01 -0.06 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.03 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 0.01 0.13 -0.02 -0.02 0.13 -0.02 -0.02 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.08 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.05 -0.02 -0.04 -0.06 -0.05 0.05 -0.01 0.10 -0.09 0.02 0.02 -0.05 -0.11 -0.01 -0.32 0.22 0.42 -0.05 -0.35 -0.16 0.16 -0.44 -0.02 -0.02 0.00 0.01 -0.02 0.02 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.06 -0.03 0.02 -0.02 -0.06 -0.24 -0.13 0.04 -0.26 0.20 0.03 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.08 -0.02 0.02 0.01 -0.00 0.00 0.01 0.03 0.00 0.03 0.00 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.02 0.00 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 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 -0.04 0.01 0.01 -0.04 0.01 0.01 0.00 -0.00 0.01 -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 -0.02 -0.00 -0.02 -0.14 -0.12 -0.14 -0.03 0.01 -0.15 0.15 -0.05 -0.02 0.10 0.18 0.58 -0.15 0.21 0.16 -0.33 -0.33 -0.02 0.37 0.19 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.01 0.01 0.02 0.07 0.04 -0.01 0.08 -0.06 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.05 -0.02 -0.04 0.00 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.02 -0.11 0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.04 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.07 0.06 -0.12 0.07 -0.08 0.13 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.03 0.06 0.22 0.47 0.49 0.08 0.01 0.12 -0.20 0.07 0.03 -0.08 -0.20 0.27 -0.01 0.06 -0.02 -0.15 -0.08 0.02 0.13 0.18 -0.01 0.00 0.00 -0.00 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.03 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.02 0.02 0.00 0.11 0.11 0.04 0.12 0.29 -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 0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.05 -0.02 -0.04 -0.02 -0.01 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.09 -0.05 -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 0.06 -0.06 0.10 -0.06 0.08 -0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 0.07 0.23 0.50 0.52 0.08 0.01 0.21 -0.15 0.03 -0.01 -0.18 -0.21 0.21 0.01 0.03 -0.04 -0.11 -0.04 0.03 0.10 0.17 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 -0.04 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.09 -0.10 -0.03 -0.11 -0.27 0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.02 0.00 0.00 0.00 -0.01 -0.07 0.00 -0.23 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 0.01 -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 -0.23 0.13 0.04 0.26 0.01 -0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.25 -0.19 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.01 -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 0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.03 -0.01 0.01 -0.01 -0.03 0.20 0.30 -0.04 -0.29 0.34 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 0.60 -0.01 0.00 -0.00 0.00 0.01 0.02 0.00 0.02 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.11 0.03 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.06 0.42 -0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.33 0.21 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.11 0.09 -0.18 0.05 -0.12 0.14 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.03 0.02 0.00 -0.00 0.09 0.06 -0.06 -0.09 -0.16 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.34 0.39 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 0.26 0.19 0.17 0.11 0.20 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.04 -0.02 -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 0.24 0.21 0.25 -0.21 -0.22 -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 0.01 0.00 0.00 -0.01 -0.01 0.02 -0.00 0.02 0.01 0.03 -0.01 0.00 0.00 -0.00 -0.07 0.01 -0.07 0.12 0.01 0.14 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 -0.21 0.08 -0.35 0.03 0.41 -0.17 0.27 -0.14 0.44 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 0.10 -0.38 -0.30 -0.04 -0.07 -0.08 -0.00 -0.06 -0.02 -0.03 -0.01 0.01 -0.00 -0.03 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.03 0.02 0.02 0.03 -0.10 0.64 0.49 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.00 0.05 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 -0.01 0.01 0.04 -0.04 0.04 0.09 0.09 -0.01 0.14 0.07 -0.09 0.03 -0.00 0.01 0.00 -0.02 -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 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.03 0.02 -0.03 0.06 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.03 0.05 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.03 -0.02 -0.04 0.00 0.00 -0.00 -0.31 -0.27 -0.30 -0.01 0.02 0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.04 -0.02 0.00 0.01 0.01 0.01 0.00 -0.00 0.47 0.43 0.45 0.01 -0.03 -0.02 -0.01 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.04 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.14 0.02 0.01 0.04 -0.01 0.02 0.05 0.01 -0.03 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.01 0.01 0.04 0.00 -0.00 -0.02 0.00 -0.10 -0.20 0.02 0.08 -0.12 0.11 0.02 -0.02 -0.08 0.05 -0.06 -0.02 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.02 0.00 -0.00 -0.00 -0.03 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 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.01 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.20 0.04 -0.06 0.03 -0.12 -0.00 0.00 0.00 -0.38 0.47 0.69 -0.02 -0.30 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 -0.01 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 0.01 0.00 -0.00 -0.01 -0.07 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.01 0.05 -0.09 -0.03 -0.01 0.06 0.89 -0.18 0.12 -0.06 0.24 -0.00 0.00 -0.00 -0.07 0.09 0.12 -0.02 -0.24 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 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.04 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.10 0.27 0.45 -0.27 0.17 -0.33 0.68 0.09 -0.19 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.04 -0.06 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 -0.00 0.01 0.12 0.02 -0.03 -0.02 0.05 0.08 0.04 0.08 0.26 -0.50 0.64 -0.49 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 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.01 -0.08 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.03 -0.01 -0.00 -0.00 0.01 0.11 -0.02 0.09 -0.04 0.20 -0.00 0.00 -0.00 -0.14 0.16 0.26 0.07 0.86 -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 -0.02 -0.18 0.06 -0.01 0.01 -0.02 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.04 -0.05 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -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 0.01 0.00 -0.00 0.40 0.05 -0.12 -0.14 0.42 0.74 -0.01 -0.01 -0.04 0.07 -0.09 0.07 0.03 -0.09 -0.15 -0.09 0.06 -0.11 0.06 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.02 0.05 -0.01 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 0.01 0.01 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 -0.26 0.09 -0.59 0.66 0.18 0.02 -0.01 -0.01 0.00 0.13 -0.05 0.26 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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.01 0.03 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.06 0.03 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.32 0.04 -0.10 -0.39 -0.06 0.10 -0.00 0.04 0.07 0.00 0.01 0.02 -0.03 0.04 -0.03 0.08 -0.29 -0.48 0.14 -0.09 0.20 0.53 0.08 -0.14 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.01 -0.01 -0.03 0.04 -0.07 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.16 0.02 -0.05 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 0.05 -0.02 0.01 -0.02 -0.06 -0.01 0.02 0.03 -0.01 0.06 -0.32 -0.09 -0.01 -0.02 -0.31 0.05 0.36 -0.13 0.75 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.15 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.11 -0.04 0.01 -0.01 0.02 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.01 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.83 0.11 -0.26 -0.10 -0.02 0.03 -0.01 0.05 0.08 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.04 0.13 0.22 -0.08 0.05 -0.11 -0.27 -0.04 0.07 -0.01 0.00 -0.03 0.08 0.02 0.00 0.00 0.06 -0.01 -0.07 0.02 -0.14 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 0.00 -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 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 0.00 -0.08 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.00 -0.01 0.12 0.02 -0.03 -0.03 0.09 0.16 0.00 0.00 0.00 0.00 -0.00 0.00 -0.10 0.26 0.41 0.47 -0.32 0.58 0.15 0.02 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.07 0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -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 0.05 0.01 0.00 0.01 0.07 -0.01 -0.02 0.01 -0.05 -0.00 -0.00 0.00 -0.03 0.03 0.06 0.01 0.18 -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 0.08 0.87 -0.32 0.12 -0.07 0.20 0.01 0.10 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.07 0.01 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.28 0.03 -0.08 0.75 0.11 -0.19 0.05 -0.22 -0.37 -0.01 -0.02 -0.06 0.02 -0.02 0.02 0.03 -0.11 -0.18 0.03 -0.02 0.04 0.22 0.04 -0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.04 -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 -0.01 0.00 -0.03 -0.03 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.22 0.08 0.31 -0.18 0.53 0.08 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.00 -0.06 -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 0.29 -0.10 0.68 0.61 0.17 0.00 -0.00 -0.03 0.00 0.07 -0.03 0.16 -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 -0.03 0.01 0.01 -0.01 0.02 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.04 0.01 -0.01 0.00 -0.01 -0.02 0.13 0.34 0.89 0.14 -0.18 0.13 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.07 0.07 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.10 -0.03 -0.36 0.20 -0.60 0.09 0.63 -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 -0.04 0.01 -0.05 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.06 0.03 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.43 -0.08 0.52 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.14 0.64 -0.27 -0.14 -0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 -0.23 -0.01 0.02 0.04 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.87 0.38 -0.17 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.01 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.05 0.02 0.02 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.46 0.08 -0.56 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.13 0.56 -0.23 -0.20 -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 -0.01 -0.00 -0.04 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.12 0.00 0.45 0.87 -0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.03 0.02 -0.06 -0.02 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.01 -0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.06 0.29 -0.12 0.68 0.26 0.59 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.09 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.24 0.93 0.04 -0.05 -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.21 0.09 -0.04 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 0.99734 -0.07283 0.0038 0.0729 0.99711 -0.02132 -0.00224 0.02154 0.99977 asymmetric 1 0.01240 0.01029 0.00691 0.25828 0.21449 0.14405 1038204.9 39.43 50.88 63.42 83.91 88.72 101.63 105.95 113.23 121.06 145.87 155.74 162.58 186.00 194.90 229.27 265.73 281.40 314.98 351.50 354.60 376.99 431.31 465.69 478.32 494.85 507.66 542.31 583.73 607.86 650.44 717.35 756.90 809.90 864.82 880.39 922.19 927.58 957.27 968.23 1030.96 1082.04 1087.25 1095.61 1112.60 1129.23 1141.36 1201.92 1224.44 1234.15 1248.82 1262.24 1280.55 1281.90 1305.54 1306.33 1321.65 1324.28 1348.67 1362.50 1393.85 1397.41 1417.51 1451.64 1479.40 1488.50 1499.85 1515.11 1546.85 1560.47 1562.69 1582.83 1591.69 1615.21 1640.99 1653.25 1680.89 1699.13 1728.65 1755.03 1779.32 1787.49 1801.54 1827.12 1840.47 1871.71 1875.83 1881.39 1899.55 1907.48 1916.86 1945.37 1953.88 1982.73 1994.98 2005.27 2018.04 2042.54 2049.47 2051.18 2061.93 2106.28 2134.77 2141.83 2146.13 2149.97 2166.03 2167.06 2171.75 2181.90 2186.61 2232.85 2341.63 2447.03 2508.74 2572.74 4327.41 4345.45 4350.05 4391.07 4402.52 4408.67 4416.00 4427.39 4437.09 4438.34 4457.73 4458.98 4479.23 4491.45 4497.34 4501.76 4613.51 4660.30 4666.22 4676.42 4697.18 4717.28 4726.28 0.395431 0.419617 0.420561 0.340093 -1164.866837 -1164.842651 -1164.841707 -1164.922175 263.314 90.508 169.359 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 34.953 261.536 84.546 90.995 1 0.593 1.984 6.009 2 0.594 1.982 5.503 3 0.595 1.980 5.067 4 0.596 1.974 4.513 5 0.597 1.973 4.403 6 0.598 1.968 4.136 7 0.599 1.966 4.054 8 0.600 1.963 3.923 9 0.601 1.960 3.792 10 0.604 1.948 3.428 11 0.606 1.943 3.300 12 0.607 1.939 3.217 13 0.612 1.924 2.957 14 0.613 1.918 2.867 15 0.621 1.892 2.557 16 0.631 1.861 2.280 17 0.636 1.846 2.174 18 0.647 1.812 1.968 19 0.660 1.772 1.771 20 0.661 1.769 1.756 21 0.669 1.742 1.648 22 0.692 1.674 1.418 23 0.708 1.628 1.291 24 0.714 1.611 1.248 25 0.723 1.588 1.194 26 0.729 1.569 1.153 27 0.747 1.519 1.051 28 0.771 1.458 0.942 29 0.785 1.421 0.884 30 0.811 1.356 0.790 31 0.854 1.253 0.662 32 0.881 1.192 0.596 33 0.919 1.112 0.518 34 0.959 1.030 0.448 35 0.971 1.007 0.430 0.284358e+26 25.453866 58.609693 0.116120e+11 10.064907 23.175305 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.971534e+07 6.987458 16.089216 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2622679 1.681E-9 1.694E-5 0.3954314 0.4196169 -1164.842651 -1164.8417068 -1164.9221749 -4.0645348,4.2196571,-0.1551224,3.8850011,3.1015622,8.4149373 C01 [X(C18H23N3O4)] -1.0415017 -0.6541855 0.2789351 -0.7197969 0.2227032 0.2453723 0.3739302 -1.324053 -0.3113573 0.3692054 -0.4539646 -0.6110924 -0.2707303 -0.0565596 0.111605 -0.0240145 -0.4789307 -0.295673 0.0556658 -0.277739 -0.4769273 -0.6763457 -0.0099906 0.3009155 -0.1726416 -0.7031434 0.208388 0.3108655 -0.020876 -0.6433757 -0.7915012 0.0613831 -0.0495802 0.0150935 -1.0760198 0.4910876 0.0797065 0.5628333 -0.6976552 -1.1399591 -0.4102753 0.2091633 -0.5302082 -0.8907912 0.2816697 0.0800784 0.138215 -0.5067745 -1.5879437 0.279256 -0.1445493 0.38984 -0.2476533 0.129007 -0.118689 0.1050788 -0.116408 -0.7621712 0.071893 -0.0455015 0.0411442 -0.3800173 -0.0006853 -0.1143185 -0.0152386 -0.2789928 -0.0202224 -0.1954383 -0.0274624 0.0671039 0.2438612 -0.169521 -0.036469 -0.1141689 0.491814 0.0722877 0.008015 0.0450188 -0.0210636 0.0317211 0.0371836 0.0433776 0.0719366 0.0161489 0.7533719 0.1030412 0.1769733 0.0146654 0.3514085 0.0854153 0.311962 0.170524 0.197661 1.0775343 -0.1727511 -0.5087635 -0.0939574 1.2211951 0.0586397 -0.6147068 0.388082 0.8627639 2.378984 0.1900632 -0.1721748 0.2134626 1.4008936 -0.7902251 -0.2547123 -0.833196 0.7446899 0.0854004 0.0000952 0.0082113 -0.014444 -0.0085281 -0.0124997 0.0080185 -0.0306858 0.0665259 0.0266777 0.0551593 -0.1645565 -0.0429185 0.0327848 0.1401803 -0.2145239 0.1241676 0.2004327 0.2104928 -0.0455857 0.0414862 -0.2178308 0.8954928 0.1279734 -0.0193255 0.1071276 0.2619306 0.0998941 0.0336869 -0.0383235 0.0578301 0.0800903 -0.0197805 0.0173206 0.0339729 -0.0095106 -0.0108116 0.0594929 -0.0952836 0.0922975 -0.0945854 0.0200449 -0.0909492 -0.0186787 -0.082084 0.1282606 -0.0512636 0.03445 -0.0737634 0.0874574 -0.0062794 0.044881 0.0038986 0.0502821 0.4687236 -0.0373979 0.0636829 0.2554589 -0.1045179 0.0070156 0.0361386 -0.0114372 -0.1096967 0.5651275 -0.3367375 0.0341469 -0.6313561 0.1635555 -0.0478226 0.1522111 -0.017063 0.0234967 -0.1725169 0.0774071 -0.0310764 0.0972544 -0.0167761 0.0267603 0.0050173 0.0299234 -0.1256856 -0.0396188 0.0320905 -0.0644646 0.0111153 0.2514212 0.1863617 -0.0908862 0.2040793 0.1750205 0.0753525 0.1513963 0.0455625 0.1443194 0.1514192 0.0457178 0.04068 0.0353174 -0.1078195 -0.1385884 0.1195344 -0.1462946 0.094225 0.0951364 0.0626923 -0.2456831 0.0617745 0.1097223 -0.2318273 0.0797359 -0.0672216 0.0094175 -0.0584867 0.1340174 -0.0820599 0.1350001 -0.0693469 0.0132177 0.0434047 -0.047914 -0.003357 0.011507 0.0077724 -0.0759456 0.0013396 0.0398242 -0.0634831 -0.002401 -0.0108138 0.004567 0.0280335 -0.0166896 -0.0197017 -0.0031352 0.0659361 0.0438659 0.0060324 -0.0187916 0.0148969 0.0032385 0.0571932 0.0023779 0.0706911 -0.0689684 0.0391514 -0.0440661 0.0139134 0.0048232 0.0632103 -0.0023098 -0.0269393 -0.002831 -0.0011965 -0.0923369 -0.0023006 0.0185038 0.0363382 -0.0205499 -0.0418547 0.0273485 -0.0989959 0.0347954 0.0584169 -0.0094814 -0.0364341 -0.0060098 0.0043302 0.0646478 -0.0313052 0.1076325 -0.0596438 0.0111215 0.0576162 0.0996265 0.0289186 -0.0069 -0.0762917 0.0802334 -0.1072994 -0.0573198 -0.1291569 -0.037549 -0.0618977 0.0217237 0.0230693 -0.0024222 -0.0397905 0.0043337 0.065511 0.0942162 0.0159139 0.0510123 0.0138534 -0.0213074 0.007889 0.0423786 -0.0303196 -0.0809687 -0.0891984 -0.0511488 -0.0346778 0.0356875 -0.0111698 -0.0203348 0.0177305 -0.0012639 0.0583182 0.0168831 0.011205 -0.019584 -0.0295965 -0.1691117 -0.0344702 -0.0497705 -0.0526655 0.0655462 -0.0296393 -0.0032364 0.0650138 0.0082006 0.0875277 -0.0381302 0.0390998 -0.0020281 -0.0729822 0.0728418 -0.0090501 0.0994513 -0.021326 0.1057289 -0.0143251 0.0931344 -0.0132652 0.0762338 -0.0344489 0.0561526 -0.0260777 0.0714732 -0.0050593 0.0817137 -0.0016891 0.0931875 -0.0939872 0.0102057 -0.0455831 0.0165419 -0.0242768 -0.0984442 -0.0739206 0.0343685 -0.0552716 0.0207714 0.0981737 0.0392753 -0.0122123 0.0012339 0.0494765 -0.0111684 -0.0135314 0.0063653 0.1706054 0.1339224 0.0362579 -0.0376307 0.0320423 0.1540082 -0.0169818 -0.047295 -0.0221043 0.1094525 0.1161447 -0.0600517 0.0109144 -0.0780854 0.0088486 -0.0586951 0.0250592 -0.0410626 0.1119112 0.1058018 -0.0393959 0.0508801 -0.0515579 0.0884409 -0.0264695 0.0809599 -0.0131041 0.0847045 -0.0245052 -0.0661625 -0.0273145 -0.0351956 0.0584672 -0.0098667 -0.0204219 -0.0201383 0.1503327 0.0924688 -0.0816772 0.0210918 -0.0486534 -0.1134111 -0.066195 0.0524252 -0.0783121 0.0178077 0.071302 -0.0172627 0.0900837 0.0114343 0.0383621 -0.0687279 0.1274777 -0.0612617 -0.0404618 0.1049616 -0.0254449 0.0349798 -0.0420942 0.0987704 -0.0286737 0.0309921 -0.0593747 0.0386586 266.8297204|18.4622377|250.0834635|-12.2640016|2.9634642|194.4021053 -0.000006624 0.000016959 0.000010686 -0.000019691 -0.000003226 0.000002915 0.000030150 0.000020945 -0.000024532 0.000003295 -0.000031204 -0.000027567 0.000014114 0.000029227 0.000001160 0.000047176 -0.000039091 0.000009491 -0.000020396 0.000026709 0.000003158 0.000017445 -0.000039198 -0.000007376 0.000011895 -0.000009480 -0.000055987 -0.000002397 0.000005654 0.000010035 -0.000037491 -0.000022139 0.000028991 -0.000027114 0.000040315 0.000058608 0.000007403 -0.000007389 0.000006771 -0.000013324 -0.000008415 -0.000010912 -0.000004048 0.000025954 0.000007006 0.000016068 0.000005793 -0.000000251 0.000010336 -0.000002759 -0.000001916 -0.000007055 -0.000012358 0.000000217 -0.000051081 0.000003060 -0.000014230 0.000020447 0.000050593 -0.000016845 -0.000016384 0.000006952 -0.000007958 0.000016717 -0.000000356 0.000006039 0.000009387 -0.000049457 0.000003291 -0.000012686 -0.000024713 0.000006329 0.000025581 0.000004673 -0.000035499 -0.000006827 0.000009678 0.000011238 -0.000014702 0.000001114 0.000004894 0.000004516 -0.000005924 0.000010288 -0.000003626 0.000003171 -0.000006659 0.000011726 -0.000003316 -0.000002752 -0.000005475 0.000002188 0.000003990 0.000002888 0.000004324 -0.000002919 -0.000004131 0.000007360 0.000003920 -0.000001033 -0.000014403 0.000003273 0.000001750 0.000009434 -0.000008397 -0.000007044 -0.000005341 0.000012488 -0.000008423 -0.000011479 -0.000005359 0.000004322 -0.000003625 -0.000004219 0.000004649 0.000014102 -0.000003109 0.000001727 0.000004892 0.000011866 0.000005466 0.000004929 0.000000653 0.000000501 -0.000012261 -0.000000034 0.000000217 -0.000002464 -0.000002814 0.000001631 0.000005673 0.000003657 0.000001781 -0.000002039 0.000004303 0.000003779 0.000002273 -0.000002982 -0.000002278 0.000004638 0.000005683 -0.000003139 0.000000027 0.000011367 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 18-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF9/opt-b3l #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction pefurazoate CONF9 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.7882718572 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 -0.0616327525 0.000000 4.000500 0.000000 2.256562 3.141577 0.000000 4.801636 5.132048 5.806384 0.000000 2.824330 3.369387 3.519722 2.289540 0.000000 3.755595 5.729621 5.085858 2.288977 2.374611 0.000000 4.262624 7.376339 5.903501 4.420564 4.257194 2.224221 0.000000 2.376675 3.413119 2.430382 3.581132 1.476115 2.901517 4.293633 0.000000 3.725898 3.371379 2.820631 4.277589 2.511169 3.999655 5.503162 1.535786 0.000000 3.622288 2.439822 3.923903 2.706513 1.482403 3.704500 5.665133 2.530881 3.030514 0.000000 1.343105 3.216834 1.205407 4.753359 2.502985 3.932447 4.822831 1.537336 2.544019 3.196615 0.000000 3.711699 4.650142 4.764009 1.214507 1.372313 1.429647 3.606318 2.504907 3.449475 2.405076 3.663049 0.000000 4.917358 4.460842 4.333356 3.950913 3.007340 3.927174 5.607906 2.544029 1.530037 3.546600 3.907539 3.401700 0.000000 3.335889 1.370540 3.336036 4.107545 2.481011 4.770773 6.438030 2.998863 3.494749 1.488998 2.926058 3.658515 4.462659 0.000000 1.454599 4.644651 2.712083 6.150783 4.213928 5.103657 5.245186 3.742305 4.933942 4.786220 2.390966 5.110645 6.248090 4.132919 0.000000 2.465133 5.798552 3.182601 7.189349 5.239592 5.762855 5.426631 4.445446 5.498410 6.020311 3.126543 6.052786 6.797115 5.464608 1.523083 0.000000 3.276417 2.231576 3.674996 4.895366 3.359191 5.370760 6.743361 3.852478 4.618566 2.619243 3.316713 4.424420 5.703882 1.362005 3.644361 5.108748 0.000000 2.996002 6.824152 4.175886 7.149047 5.496288 5.354542 4.461154 4.752742 5.923967 6.555132 3.806156 5.997180 6.994373 6.313155 2.570553 1.540247 6.070874 0.000000 5.067475 6.986530 6.318245 2.872817 3.630624 1.389287 2.260611 4.075891 4.924379 4.875448 5.208932 2.488252 4.478417 6.067673 6.378844 6.885979 6.724478 6.262993 0.000000 3.165156 6.096036 4.847837 3.511685 3.012467 1.384090 1.306453 3.161514 4.499071 4.403088 3.699138 2.537308 4.775849 5.132955 4.312191 4.773487 5.459372 4.147030 2.222319 0.000000 3.938644 2.232062 3.687075 6.215018 4.482355 6.589066 7.855082 4.625104 5.130499 3.719692 3.790719 5.684320 6.381273 2.241422 3.923744 5.236255 1.431552 6.464038 7.959269 6.588503 0.000000 4.299178 1.359370 3.357456 6.274712 4.435407 6.719396 8.149533 4.365125 4.457595 3.592089 3.707303 5.739228 5.698679 2.199744 4.511368 5.650639 2.231288 6.890652 8.042406 6.875114 1.359961 0.000000 5.271906 7.849784 6.703682 4.112680 4.536200 2.192233 1.385280 4.734740 5.712879 5.896007 5.612580 3.569391 5.438907 6.922684 6.414432 6.679559 7.419153 5.780657 1.364292 2.148115 8.608217 8.787926 0.000000 3.637842 7.567283 5.306035 7.373541 6.030770 5.619794 4.466091 5.616191 6.963122 7.052344 4.757707 6.332281 7.951981 6.842253 3.108488 2.545439 6.401531 1.504358 6.461261 4.300651 6.928793 7.594231 5.851209 0.000000 4.041852 7.977596 5.993944 6.898323 5.948169 5.089355 3.667864 5.770981 7.205716 7.053427 5.219629 5.960263 7.993167 7.078681 3.890476 3.666303 6.704035 2.521322 5.756360 3.734420 7.463249 8.166310 5.021458 1.331820 0.000000 2.606648 4.500130 3.023684 3.729554 2.072500 2.391497 3.428653 1.090921 2.136614 3.416594 2.101111 2.563158 2.750713 4.018466 3.967608 4.394313 4.758281 4.351276 3.405714 2.477593 5.579097 5.403081 3.871357 5.218663 5.260485 0.000000 4.032152 2.506966 2.820623 4.615596 2.819240 4.752507 6.386938 2.166091 1.091079 2.780196 2.798260 3.940336 2.177692 2.959195 5.102699 5.825009 4.154816 6.485559 5.764997 5.282603 4.488800 3.629120 6.633001 7.502300 7.825085 3.045031 0.000000 3.937802 3.966162 2.626462 5.262655 3.419310 4.638959 5.792260 2.129885 1.092468 4.032593 2.686072 4.340268 2.168514 4.270470 4.973002 5.250957 5.260088 5.682671 5.498593 4.912155 5.574755 4.844982 6.097706 6.890289 7.271325 2.434738 1.740328 0.000000 4.217272 3.251672 4.887328 2.322615 2.072698 3.805759 5.801048 3.411544 4.036893 1.087979 4.067748 2.443891 4.337380 2.123983 5.328172 6.649394 2.890019 7.092883 4.880257 4.583986 4.158008 4.266653 5.946397 7.386082 7.233082 4.144324 3.840616 5.062725 0.000000 4.465754 2.515632 4.323369 3.007845 2.129292 4.229360 6.306934 2.893739 2.821882 1.093706 3.776484 2.898895 3.052789 2.119393 5.653724 6.793653 3.423867 7.346740 5.234168 5.105881 4.289226 3.834907 6.367408 7.966949 7.990483 3.785253 2.404994 3.873930 1.753275 0.000000 5.149320 4.386480 4.864004 3.156060 2.726943 3.707600 5.671699 2.838951 2.188073 3.038782 4.286716 2.901481 1.093398 4.203671 6.534626 7.276351 5.484465 7.473111 4.230089 4.782069 6.311767 5.712834 5.379976 8.274965 8.196606 3.161478 2.552805 3.088080 3.638349 2.431911 0.000000 5.829069 4.884979 4.910009 4.886631 4.020260 4.997479 6.624300 3.491643 2.170118 4.339620 4.704783 4.452195 1.092264 5.139831 7.088173 7.572683 6.429339 7.841564 5.447904 5.843353 6.953105 6.096170 6.398683 8.888182 8.996224 3.736480 2.517576 2.502413 5.147428 3.652450 1.763451 0.000000 5.052048 5.355447 4.732822 4.051001 3.337393 3.548091 4.968968 2.793615 2.180757 4.218188 4.192411 3.422331 1.094705 5.208478 6.408540 6.795123 6.356184 6.754980 3.850223 4.347245 7.117511 6.548372 4.687368 7.693066 7.640137 2.552196 3.089522 2.534303 4.916722 3.902241 1.764799 1.766137 0.000000 2.012755 5.200329 3.719991 6.187240 4.531300 5.192874 5.197784 4.371189 5.702374 5.066331 3.216331 5.242740 6.914820 4.464333 1.090071 2.173639 3.754414 2.831984 6.440639 4.320632 4.202414 5.042877 6.411901 2.798370 3.407900 4.546859 5.875530 5.869341 5.400074 6.045679 7.071312 7.825919 7.041974 0.000000 2.075137 4.087081 2.498789 6.539509 4.489371 5.798669 6.210376 4.023434 4.998874 4.750869 2.556859 5.568806 6.419771 3.795756 1.090951 2.173727 3.183082 3.516973 7.131194 5.184151 3.101591 3.692630 7.307310 4.106052 4.945397 4.489350 4.939272 5.035559 5.349785 5.550836 6.698097 7.164796 6.747056 1.784951 0.000000 3.382403 6.427405 3.974634 8.136140 6.198149 6.775828 6.355236 5.468687 6.486280 6.857246 4.072893 7.034255 7.833362 6.142613 2.122206 1.096965 5.594407 2.170826 7.905006 5.747896 5.536905 6.065923 7.652738 2.783787 4.050082 5.478819 6.719444 6.218289 7.445235 7.658470 8.301838 8.582007 7.871621 2.490860 2.470153 0.000000 2.758198 5.586025 2.649715 7.389715 5.295325 5.991118 5.811581 4.253925 5.043947 6.055884 2.926669 6.221359 6.390601 5.488741 2.142736 1.092452 5.326959 2.172318 7.094411 5.137892 5.307157 5.462830 6.963851 3.478053 4.560285 4.235552 5.357681 4.615008 6.826494 6.686832 6.999616 7.051440 6.418218 3.061785 2.465378 1.757566 0.000000 3.318886 3.270585 4.312015 4.788086 3.558700 5.208943 6.425906 4.254211 5.266123 3.022279 3.747198 4.375366 6.260766 2.175633 3.607892 5.130271 1.078468 5.936600 6.537610 5.192125 2.257375 3.279388 7.148245 6.014391 6.181143 5.005790 4.962968 5.937695 2.978187 3.986900 5.969025 7.089483 6.792933 3.403002 3.354230 5.568720 5.557462 0.000000 3.969628 7.639688 4.775087 8.085612 6.411566 6.189430 5.113990 5.521257 6.539728 7.500530 4.589132 6.911154 7.590674 7.247670 3.486680 2.145678 7.044933 1.097150 6.984696 4.979811 7.325652 7.667627 6.391950 2.131840 3.162904 5.045316 7.138941 6.137771 8.097135 8.228025 8.176674 8.361716 7.284025 3.828804 4.305515 2.490743 2.439332 6.973096 0.000000 2.696494 6.529320 3.920096 6.357605 4.793947 4.436457 3.550491 4.012203 5.184603 5.998835 3.362722 5.184829 6.115404 5.981054 2.840135 2.174471 5.955323 1.094210 5.278008 3.259030 6.506077 6.809202 4.809389 2.139555 2.649168 3.441892 5.873454 4.976214 6.553089 6.727941 6.600849 6.985703 5.783446 3.197611 3.827197 3.077050 2.518569 5.864261 1.754914 0.000000 5.878677 7.264981 6.945784 2.741726 3.999992 2.151968 3.321347 4.577036 5.179781 5.052038 5.874119 2.758565 4.441605 6.390068 7.247117 7.828859 7.174442 7.285066 1.075889 3.243473 8.428833 8.420241 2.244022 7.519157 6.818101 4.034841 5.962385 5.840384 4.974964 5.228420 4.024582 5.309413 3.842410 7.334778 7.920599 8.861897 7.980072 7.039881 8.005434 6.289713 0.000000 2.213193 5.552924 4.147254 3.915716 2.880738 2.154306 2.134579 2.913455 4.399896 4.162529 3.012402 2.854314 5.008971 4.593016 3.262165 3.819023 4.726054 3.357392 3.248281 1.077422 5.774000 6.166198 3.201479 3.518464 3.165102 2.448052 5.059078 4.760273 4.420319 4.996498 5.076959 6.068607 4.755187 3.245574 4.160120 4.761578 4.280420 4.438235 4.308096 2.619069 4.219280 0.000000 4.502382 3.271254 4.342292 7.145913 5.440664 7.427129 8.518136 5.544188 6.113521 4.745271 4.537624 6.604289 7.413729 3.288247 4.144306 5.384801 2.256796 6.698460 8.809707 7.291096 1.078282 2.179659 9.369046 7.058556 7.681167 6.437007 5.496732 6.472391 5.098549 5.356431 7.374656 7.985372 8.118389 4.302642 3.217672 5.471303 5.534804 2.746389 7.520999 6.908099 9.336893 6.396063 0.000000 5.090993 2.072032 3.746576 7.183240 5.303338 7.594301 8.999277 5.048088 4.883962 4.487592 4.360682 6.634486 6.131113 3.193905 5.198839 6.161673 3.300122 7.483555 8.891782 7.748402 2.242211 1.076556 9.633505 8.300360 8.973967 6.071420 3.971199 5.109868 5.221389 4.552671 6.249164 6.363655 7.024154 5.831090 4.297844 6.506684 5.825042 4.332680 8.159549 7.440133 9.249207 7.045047 2.742984 0.000000 6.276240 8.907812 7.677927 5.019299 5.593130 3.247975 2.153652 5.743536 6.633964 6.942704 6.620163 4.588052 6.245833 7.996186 7.360332 7.504115 8.494602 6.469660 2.199226 3.169942 9.682027 9.855520 1.078476 6.476812 5.565003 4.829575 7.591988 6.954231 6.968266 7.368378 6.211010 7.136462 5.397002 7.337787 8.289509 8.450941 7.784612 8.203671 6.968101 5.512966 2.768552 4.186276 10.432890 10.687960 0.000000 4.281501 8.028026 5.834201 8.227388 6.832364 6.602617 5.516679 6.442759 7.770931 7.722054 5.421694 7.216480 8.852902 7.341432 3.416455 2.816184 6.726651 2.205547 7.490462 5.311700 7.108642 7.878987 6.900996 1.090647 2.092256 6.154628 8.214535 7.679875 8.033811 8.669983 9.169815 9.770849 8.663046 2.975862 4.251013 2.614337 3.809535 6.301457 2.593984 3.089935 8.540660 4.468829 7.072243 8.545625 7.518849 0.000000 4.891191 8.715220 6.932883 7.431083 6.690233 5.755510 4.302383 6.675603 8.150345 7.717013 6.137971 6.605200 8.905368 7.734186 4.650362 4.536177 7.242681 3.504300 6.345906 4.453906 8.033103 8.855915 5.572838 2.107584 1.084997 6.205681 8.733806 8.280462 7.771337 8.700735 9.027259 9.933709 8.561267 3.972076 5.647637 4.753627 5.502375 6.590905 4.075996 3.730265 7.379623 3.950518 8.170679 9.701802 6.032019 2.422636 0.000000 3.929448 7.810204 5.875086 6.190653 5.412387 4.229554 2.609662 5.259037 6.671075 6.645295 4.982965 5.257443 7.294554 6.885112 4.162942 4.025660 6.707471 2.798999 4.763887 2.859324 7.591031 8.177155 3.956498 2.120477 1.086288 4.612634 7.389201 6.775810 6.821997 7.519867 7.481744 8.308962 6.847580 3.831159 5.248859 4.640215 4.765971 6.233651 3.452979 2.475901 5.832267 2.533186 7.953077 9.006161 4.486869 3.076695 1.848475 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2582792 0.2144905 0.1440531 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= 1.53D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 712 711 712 712 712 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26226789837 -1165.26226790 1 1.160502822156e+03 -7.466210028382e+03 2.765718299224e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT389.400S Tue Jan 18 02:32:00 2022 GINC-ESTREMERA PAULAPLA 18-Jan-2022 0 Wavefunction pefurazoate CONF9 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2622679 RMSD=1.703e-09 Dipole=-1.0415016,-0.6541855,0.2789349 Quadrupole=-4.0645347,4.2196572,-0.1551224,3.8850013,3.1015627,8.4149372 PG=C01 [X(C18H23N3O4)] 0 -0.0235259253 -1.3467780116 -0.0246797772 0 -3.6379716535 0.365301141 0.0678977034 0 -1.5237903304 -1.3265552741 1.6608077394 0 0.3540270327 3.2396885027 -1.3948946584 0 -0.4581820467 1.4353450202 -0.2430907249 0 1.8720433291 1.8785072818 -0.354592278 0 3.7288692943 0.6717796283 -0.146827796 0 -0.3923038439 0.737602191 1.056035614 0 -1.2127764606 1.4335063 2.1520195172 0 -1.8007857469 1.7108061496 -0.8079412518 0 -0.7495441998 -0.7528754018 0.936625934 0 0.5386491545 2.2588820418 -0.7028254222 0 -0.766234217 2.8795785304 2.3767163858 0 -2.6641679792 0.5002553842 -0.8870229049 0 -0.2263597785 -2.7721869254 -0.2318667197 0 0.5247766383 -3.6046173409 0.7989750389 0 -2.707181632 -0.5653757744 -1.734157422 0 2.0414360296 -3.338883792 0.837571646 0 2.9135226798 2.7800582847 -0.1739123859 0 2.4388550503 0.6158310033 -0.3457060669 0 -3.7595621548 -1.4174727392 -1.2696497711 0 -4.2857345949 -0.8047679959 -0.1754699854 0 4.0353673425 2.0174997331 -0.0281020408 0 2.7406252837 -3.6729055608 -0.4518692977 0 3.5610622494 -2.8614990554 -1.11688565 0 0.6533695012 0.7509729373 1.3666745345 0 -2.2756684813 1.3804344286 1.9114030364 0 -1.0872294914 0.8488387978 3.0662884459 0 -1.6389471436 2.1190787992 -1.8033406057 0 -2.311940132 2.4828021839 -0.225759961 0 -0.9113400332 3.4955341135 1.485054107 0 -1.3363300908 3.3357944798 3.1890572687 0 0.294110062 2.9311876242 2.6438977004 0 0.156286475 -2.9424071063 -1.2382774107 0 -1.2980027618 -2.9745994023 -0.2038414359 0 0.3408459523 -4.6587317586 0.55742672 0 0.0882209427 -3.4258770285 1.7843292267 0 -2.0532481379 -0.7270355319 -2.5763753609 0 2.4666644267 -3.9490447468 1.644182819 0 2.2337859592 -2.2953909166 1.1048145139 0 2.7366910863 3.8413033773 -0.1791500738 0 1.8480999894 -0.2700289026 -0.5103263378 0 -4.0816139966 -2.3549180813 -1.6941157711 0 -5.0783532868 -1.0577949288 0.5076888064 0 5.0455818579 2.3497568339 0.1512923772 0 2.5465315177 -4.6711607931 -0.8459821615 0 4.0399992844 -3.1808107745 -2.0366023661 0 3.8013646385 -1.8632360859 -0.7622754433 Gaussian 16 18-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF9/opt-b3l #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum pefurazoate CONF9 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2374.7882718572 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 -0.0616327525 0.000000 4.000500 0.000000 2.256562 3.141577 0.000000 4.801636 5.132048 5.806384 0.000000 2.824330 3.369387 3.519722 2.289540 0.000000 3.755595 5.729621 5.085858 2.288977 2.374611 0.000000 4.262624 7.376339 5.903501 4.420564 4.257194 2.224221 0.000000 2.376675 3.413119 2.430382 3.581132 1.476115 2.901517 4.293633 0.000000 3.725898 3.371379 2.820631 4.277589 2.511169 3.999655 5.503162 1.535786 0.000000 3.622288 2.439822 3.923903 2.706513 1.482403 3.704500 5.665133 2.530881 3.030514 0.000000 1.343105 3.216834 1.205407 4.753359 2.502985 3.932447 4.822831 1.537336 2.544019 3.196615 0.000000 3.711699 4.650142 4.764009 1.214507 1.372313 1.429647 3.606318 2.504907 3.449475 2.405076 3.663049 0.000000 4.917358 4.460842 4.333356 3.950913 3.007340 3.927174 5.607906 2.544029 1.530037 3.546600 3.907539 3.401700 0.000000 3.335889 1.370540 3.336036 4.107545 2.481011 4.770773 6.438030 2.998863 3.494749 1.488998 2.926058 3.658515 4.462659 0.000000 1.454599 4.644651 2.712083 6.150783 4.213928 5.103657 5.245186 3.742305 4.933942 4.786220 2.390966 5.110645 6.248090 4.132919 0.000000 2.465133 5.798552 3.182601 7.189349 5.239592 5.762855 5.426631 4.445446 5.498410 6.020311 3.126543 6.052786 6.797115 5.464608 1.523083 0.000000 3.276417 2.231576 3.674996 4.895366 3.359191 5.370760 6.743361 3.852478 4.618566 2.619243 3.316713 4.424420 5.703882 1.362005 3.644361 5.108748 0.000000 2.996002 6.824152 4.175886 7.149047 5.496288 5.354542 4.461154 4.752742 5.923967 6.555132 3.806156 5.997180 6.994373 6.313155 2.570553 1.540247 6.070874 0.000000 5.067475 6.986530 6.318245 2.872817 3.630624 1.389287 2.260611 4.075891 4.924379 4.875448 5.208932 2.488252 4.478417 6.067673 6.378844 6.885979 6.724478 6.262993 0.000000 3.165156 6.096036 4.847837 3.511685 3.012467 1.384090 1.306453 3.161514 4.499071 4.403088 3.699138 2.537308 4.775849 5.132955 4.312191 4.773487 5.459372 4.147030 2.222319 0.000000 3.938644 2.232062 3.687075 6.215018 4.482355 6.589066 7.855082 4.625104 5.130499 3.719692 3.790719 5.684320 6.381273 2.241422 3.923744 5.236255 1.431552 6.464038 7.959269 6.588503 0.000000 4.299178 1.359370 3.357456 6.274712 4.435407 6.719396 8.149533 4.365125 4.457595 3.592089 3.707303 5.739228 5.698679 2.199744 4.511368 5.650639 2.231288 6.890652 8.042406 6.875114 1.359961 0.000000 5.271906 7.849784 6.703682 4.112680 4.536200 2.192233 1.385280 4.734740 5.712879 5.896007 5.612580 3.569391 5.438907 6.922684 6.414432 6.679559 7.419153 5.780657 1.364292 2.148115 8.608217 8.787926 0.000000 3.637842 7.567283 5.306035 7.373541 6.030770 5.619794 4.466091 5.616191 6.963122 7.052344 4.757707 6.332281 7.951981 6.842253 3.108488 2.545439 6.401531 1.504358 6.461261 4.300651 6.928793 7.594231 5.851209 0.000000 4.041852 7.977596 5.993944 6.898323 5.948169 5.089355 3.667864 5.770981 7.205716 7.053427 5.219629 5.960263 7.993167 7.078681 3.890476 3.666303 6.704035 2.521322 5.756360 3.734420 7.463249 8.166310 5.021458 1.331820 0.000000 2.606648 4.500130 3.023684 3.729554 2.072500 2.391497 3.428653 1.090921 2.136614 3.416594 2.101111 2.563158 2.750713 4.018466 3.967608 4.394313 4.758281 4.351276 3.405714 2.477593 5.579097 5.403081 3.871357 5.218663 5.260485 0.000000 4.032152 2.506966 2.820623 4.615596 2.819240 4.752507 6.386938 2.166091 1.091079 2.780196 2.798260 3.940336 2.177692 2.959195 5.102699 5.825009 4.154816 6.485559 5.764997 5.282603 4.488800 3.629120 6.633001 7.502300 7.825085 3.045031 0.000000 3.937802 3.966162 2.626462 5.262655 3.419310 4.638959 5.792260 2.129885 1.092468 4.032593 2.686072 4.340268 2.168514 4.270470 4.973002 5.250957 5.260088 5.682671 5.498593 4.912155 5.574755 4.844982 6.097706 6.890289 7.271325 2.434738 1.740328 0.000000 4.217272 3.251672 4.887328 2.322615 2.072698 3.805759 5.801048 3.411544 4.036893 1.087979 4.067748 2.443891 4.337380 2.123983 5.328172 6.649394 2.890019 7.092883 4.880257 4.583986 4.158008 4.266653 5.946397 7.386082 7.233082 4.144324 3.840616 5.062725 0.000000 4.465754 2.515632 4.323369 3.007845 2.129292 4.229360 6.306934 2.893739 2.821882 1.093706 3.776484 2.898895 3.052789 2.119393 5.653724 6.793653 3.423867 7.346740 5.234168 5.105881 4.289226 3.834907 6.367408 7.966949 7.990483 3.785253 2.404994 3.873930 1.753275 0.000000 5.149320 4.386480 4.864004 3.156060 2.726943 3.707600 5.671699 2.838951 2.188073 3.038782 4.286716 2.901481 1.093398 4.203671 6.534626 7.276351 5.484465 7.473111 4.230089 4.782069 6.311767 5.712834 5.379976 8.274965 8.196606 3.161478 2.552805 3.088080 3.638349 2.431911 0.000000 5.829069 4.884979 4.910009 4.886631 4.020260 4.997479 6.624300 3.491643 2.170118 4.339620 4.704783 4.452195 1.092264 5.139831 7.088173 7.572683 6.429339 7.841564 5.447904 5.843353 6.953105 6.096170 6.398683 8.888182 8.996224 3.736480 2.517576 2.502413 5.147428 3.652450 1.763451 0.000000 5.052048 5.355447 4.732822 4.051001 3.337393 3.548091 4.968968 2.793615 2.180757 4.218188 4.192411 3.422331 1.094705 5.208478 6.408540 6.795123 6.356184 6.754980 3.850223 4.347245 7.117511 6.548372 4.687368 7.693066 7.640137 2.552196 3.089522 2.534303 4.916722 3.902241 1.764799 1.766137 0.000000 2.012755 5.200329 3.719991 6.187240 4.531300 5.192874 5.197784 4.371189 5.702374 5.066331 3.216331 5.242740 6.914820 4.464333 1.090071 2.173639 3.754414 2.831984 6.440639 4.320632 4.202414 5.042877 6.411901 2.798370 3.407900 4.546859 5.875530 5.869341 5.400074 6.045679 7.071312 7.825919 7.041974 0.000000 2.075137 4.087081 2.498789 6.539509 4.489371 5.798669 6.210376 4.023434 4.998874 4.750869 2.556859 5.568806 6.419771 3.795756 1.090951 2.173727 3.183082 3.516973 7.131194 5.184151 3.101591 3.692630 7.307310 4.106052 4.945397 4.489350 4.939272 5.035559 5.349785 5.550836 6.698097 7.164796 6.747056 1.784951 0.000000 3.382403 6.427405 3.974634 8.136140 6.198149 6.775828 6.355236 5.468687 6.486280 6.857246 4.072893 7.034255 7.833362 6.142613 2.122206 1.096965 5.594407 2.170826 7.905006 5.747896 5.536905 6.065923 7.652738 2.783787 4.050082 5.478819 6.719444 6.218289 7.445235 7.658470 8.301838 8.582007 7.871621 2.490860 2.470153 0.000000 2.758198 5.586025 2.649715 7.389715 5.295325 5.991118 5.811581 4.253925 5.043947 6.055884 2.926669 6.221359 6.390601 5.488741 2.142736 1.092452 5.326959 2.172318 7.094411 5.137892 5.307157 5.462830 6.963851 3.478053 4.560285 4.235552 5.357681 4.615008 6.826494 6.686832 6.999616 7.051440 6.418218 3.061785 2.465378 1.757566 0.000000 3.318886 3.270585 4.312015 4.788086 3.558700 5.208943 6.425906 4.254211 5.266123 3.022279 3.747198 4.375366 6.260766 2.175633 3.607892 5.130271 1.078468 5.936600 6.537610 5.192125 2.257375 3.279388 7.148245 6.014391 6.181143 5.005790 4.962968 5.937695 2.978187 3.986900 5.969025 7.089483 6.792933 3.403002 3.354230 5.568720 5.557462 0.000000 3.969628 7.639688 4.775087 8.085612 6.411566 6.189430 5.113990 5.521257 6.539728 7.500530 4.589132 6.911154 7.590674 7.247670 3.486680 2.145678 7.044933 1.097150 6.984696 4.979811 7.325652 7.667627 6.391950 2.131840 3.162904 5.045316 7.138941 6.137771 8.097135 8.228025 8.176674 8.361716 7.284025 3.828804 4.305515 2.490743 2.439332 6.973096 0.000000 2.696494 6.529320 3.920096 6.357605 4.793947 4.436457 3.550491 4.012203 5.184603 5.998835 3.362722 5.184829 6.115404 5.981054 2.840135 2.174471 5.955323 1.094210 5.278008 3.259030 6.506077 6.809202 4.809389 2.139555 2.649168 3.441892 5.873454 4.976214 6.553089 6.727941 6.600849 6.985703 5.783446 3.197611 3.827197 3.077050 2.518569 5.864261 1.754914 0.000000 5.878677 7.264981 6.945784 2.741726 3.999992 2.151968 3.321347 4.577036 5.179781 5.052038 5.874119 2.758565 4.441605 6.390068 7.247117 7.828859 7.174442 7.285066 1.075889 3.243473 8.428833 8.420241 2.244022 7.519157 6.818101 4.034841 5.962385 5.840384 4.974964 5.228420 4.024582 5.309413 3.842410 7.334778 7.920599 8.861897 7.980072 7.039881 8.005434 6.289713 0.000000 2.213193 5.552924 4.147254 3.915716 2.880738 2.154306 2.134579 2.913455 4.399896 4.162529 3.012402 2.854314 5.008971 4.593016 3.262165 3.819023 4.726054 3.357392 3.248281 1.077422 5.774000 6.166198 3.201479 3.518464 3.165102 2.448052 5.059078 4.760273 4.420319 4.996498 5.076959 6.068607 4.755187 3.245574 4.160120 4.761578 4.280420 4.438235 4.308096 2.619069 4.219280 0.000000 4.502382 3.271254 4.342292 7.145913 5.440664 7.427129 8.518136 5.544188 6.113521 4.745271 4.537624 6.604289 7.413729 3.288247 4.144306 5.384801 2.256796 6.698460 8.809707 7.291096 1.078282 2.179659 9.369046 7.058556 7.681167 6.437007 5.496732 6.472391 5.098549 5.356431 7.374656 7.985372 8.118389 4.302642 3.217672 5.471303 5.534804 2.746389 7.520999 6.908099 9.336893 6.396063 0.000000 5.090993 2.072032 3.746576 7.183240 5.303338 7.594301 8.999277 5.048088 4.883962 4.487592 4.360682 6.634486 6.131113 3.193905 5.198839 6.161673 3.300122 7.483555 8.891782 7.748402 2.242211 1.076556 9.633505 8.300360 8.973967 6.071420 3.971199 5.109868 5.221389 4.552671 6.249164 6.363655 7.024154 5.831090 4.297844 6.506684 5.825042 4.332680 8.159549 7.440133 9.249207 7.045047 2.742984 0.000000 6.276240 8.907812 7.677927 5.019299 5.593130 3.247975 2.153652 5.743536 6.633964 6.942704 6.620163 4.588052 6.245833 7.996186 7.360332 7.504115 8.494602 6.469660 2.199226 3.169942 9.682027 9.855520 1.078476 6.476812 5.565003 4.829575 7.591988 6.954231 6.968266 7.368378 6.211010 7.136462 5.397002 7.337787 8.289509 8.450941 7.784612 8.203671 6.968101 5.512966 2.768552 4.186276 10.432890 10.687960 0.000000 4.281501 8.028026 5.834201 8.227388 6.832364 6.602617 5.516679 6.442759 7.770931 7.722054 5.421694 7.216480 8.852902 7.341432 3.416455 2.816184 6.726651 2.205547 7.490462 5.311700 7.108642 7.878987 6.900996 1.090647 2.092256 6.154628 8.214535 7.679875 8.033811 8.669983 9.169815 9.770849 8.663046 2.975862 4.251013 2.614337 3.809535 6.301457 2.593984 3.089935 8.540660 4.468829 7.072243 8.545625 7.518849 0.000000 4.891191 8.715220 6.932883 7.431083 6.690233 5.755510 4.302383 6.675603 8.150345 7.717013 6.137971 6.605200 8.905368 7.734186 4.650362 4.536177 7.242681 3.504300 6.345906 4.453906 8.033103 8.855915 5.572838 2.107584 1.084997 6.205681 8.733806 8.280462 7.771337 8.700735 9.027259 9.933709 8.561267 3.972076 5.647637 4.753627 5.502375 6.590905 4.075996 3.730265 7.379623 3.950518 8.170679 9.701802 6.032019 2.422636 0.000000 3.929448 7.810204 5.875086 6.190653 5.412387 4.229554 2.609662 5.259037 6.671075 6.645295 4.982965 5.257443 7.294554 6.885112 4.162942 4.025660 6.707471 2.798999 4.763887 2.859324 7.591031 8.177155 3.956498 2.120477 1.086288 4.612634 7.389201 6.775810 6.821997 7.519867 7.481744 8.308962 6.847580 3.831159 5.248859 4.640215 4.765971 6.233651 3.452979 2.475901 5.832267 2.533186 7.953077 9.006161 4.486869 3.076695 1.848475 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2582792 0.2144905 0.1440531 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= 1.53D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 712 711 712 712 712 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26226789837 -1165.26226790 1 1.160502822156e+03 -7.466210028382e+03 2.765718299224e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323590392 LenY= 11323081310 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.0632 244.87 0.0265 0.000 88 93 -0.12081 89 93 0.13775 92 93 0.64329 92 94 -0.16281 -1165.07619808 2 Singlet-A 5.1753 239.57 0.0301 0.000 88 93 -0.12798 91 93 0.63436 91 94 -0.18327 92 94 -0.15045 3 Singlet-A 5.2371 236.74 0.1100 0.000 89 94 0.11534 91 93 0.17905 91 94 0.15099 92 93 0.14502 92 94 0.58410 92 95 -0.18273 4 Singlet-A 5.3740 230.71 0.0086 0.000 89 94 -0.27897 91 93 0.10562 91 94 0.59107 92 94 -0.13127 5 Singlet-A 5.3935 229.88 0.0058 0.000 85 94 -0.17500 86 94 0.11293 89 94 0.50177 89 95 -0.14344 89 96 -0.11301 91 94 0.25478 92 94 -0.22510 6 Singlet-A 5.4358 228.09 0.0088 0.000 88 93 0.43320 88 94 -0.12898 89 93 -0.42822 91 93 0.14112 92 93 0.22142 7 Singlet-A 5.6397 219.84 0.0027 0.000 90 93 0.69732 8 Singlet-A 5.7594 215.27 0.1044 0.000 88 93 0.41700 89 93 0.43435 92 95 0.25192 9 Singlet-A 5.8099 213.40 0.0095 0.000 90 94 0.65549 92 95 -0.12296 92 96 0.14743 10 Singlet-A 5.8179 213.11 0.0052 0.000 88 93 0.17217 89 93 0.18723 90 94 -0.21273 91 95 -0.11899 91 96 0.22031 92 95 -0.28419 92 96 0.40978 92 97 0.11047 92 98 -0.11876 92 99 -0.10709 PT25917.500S Tue Jan 18 03:26:07 2022 GINC-ESTREMERA PAULAPLA 18-Jan-2022 0 Electronic spectrum pefurazoate CONF9 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2622679 RMSD=1.964e-09 PG=C01 [X(C18H23N3O4)] 0 -0.0235259253 -1.3467780116 -0.0246797772 0 -3.6379716535 0.365301141 0.0678977034 0 -1.5237903304 -1.3265552741 1.6608077394 0 0.3540270327 3.2396885027 -1.3948946584 0 -0.4581820467 1.4353450202 -0.2430907249 0 1.8720433291 1.8785072818 -0.354592278 0 3.7288692943 0.6717796283 -0.146827796 0 -0.3923038439 0.737602191 1.056035614 0 -1.2127764606 1.4335063 2.1520195172 0 -1.8007857469 1.7108061496 -0.8079412518 0 -0.7495441998 -0.7528754018 0.936625934 0 0.5386491545 2.2588820418 -0.7028254222 0 -0.766234217 2.8795785304 2.3767163858 0 -2.6641679792 0.5002553842 -0.8870229049 0 -0.2263597785 -2.7721869254 -0.2318667197 0 0.5247766383 -3.6046173409 0.7989750389 0 -2.707181632 -0.5653757744 -1.734157422 0 2.0414360296 -3.338883792 0.837571646 0 2.9135226798 2.7800582847 -0.1739123859 0 2.4388550503 0.6158310033 -0.3457060669 0 -3.7595621548 -1.4174727392 -1.2696497711 0 -4.2857345949 -0.8047679959 -0.1754699854 0 4.0353673425 2.0174997331 -0.0281020408 0 2.7406252837 -3.6729055608 -0.4518692977 0 3.5610622494 -2.8614990554 -1.11688565 0 0.6533695012 0.7509729373 1.3666745345 0 -2.2756684813 1.3804344286 1.9114030364 0 -1.0872294914 0.8488387978 3.0662884459 0 -1.6389471436 2.1190787992 -1.8033406057 0 -2.311940132 2.4828021839 -0.225759961 0 -0.9113400332 3.4955341135 1.485054107 0 -1.3363300908 3.3357944798 3.1890572687 0 0.294110062 2.9311876242 2.6438977004 0 0.156286475 -2.9424071063 -1.2382774107 0 -1.2980027618 -2.9745994023 -0.2038414359 0 0.3408459523 -4.6587317586 0.55742672 0 0.0882209427 -3.4258770285 1.7843292267 0 -2.0532481379 -0.7270355319 -2.5763753609 0 2.4666644267 -3.9490447468 1.644182819 0 2.2337859592 -2.2953909166 1.1048145139 0 2.7366910863 3.8413033773 -0.1791500738 0 1.8480999894 -0.2700289026 -0.5103263378 0 -4.0816139966 -2.3549180813 -1.6941157711 0 -5.0783532868 -1.0577949288 0.5076888064 0 5.0455818579 2.3497568339 0.1512923772 0 2.5465315177 -4.6711607931 -0.8459821615 0 4.0399992844 -3.1808107745 -2.0366023661 0 3.8013646385 -1.8632360859 -0.7622754433 Gaussian 16 18-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/gas/CONF9/opt-b3l #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point pefurazoate CONF9 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1332 A 1182 A 1182 1703 1332 92 92 2374.7882718572 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 -0.0616327525 0.000000 4.000500 0.000000 2.256562 3.141577 0.000000 4.801636 5.132048 5.806384 0.000000 2.824330 3.369387 3.519722 2.289540 0.000000 3.755595 5.729621 5.085858 2.288977 2.374611 0.000000 4.262624 7.376339 5.903501 4.420564 4.257194 2.224221 0.000000 2.376675 3.413119 2.430382 3.581132 1.476115 2.901517 4.293633 0.000000 3.725898 3.371379 2.820631 4.277589 2.511169 3.999655 5.503162 1.535786 0.000000 3.622288 2.439822 3.923903 2.706513 1.482403 3.704500 5.665133 2.530881 3.030514 0.000000 1.343105 3.216834 1.205407 4.753359 2.502985 3.932447 4.822831 1.537336 2.544019 3.196615 0.000000 3.711699 4.650142 4.764009 1.214507 1.372313 1.429647 3.606318 2.504907 3.449475 2.405076 3.663049 0.000000 4.917358 4.460842 4.333356 3.950913 3.007340 3.927174 5.607906 2.544029 1.530037 3.546600 3.907539 3.401700 0.000000 3.335889 1.370540 3.336036 4.107545 2.481011 4.770773 6.438030 2.998863 3.494749 1.488998 2.926058 3.658515 4.462659 0.000000 1.454599 4.644651 2.712083 6.150783 4.213928 5.103657 5.245186 3.742305 4.933942 4.786220 2.390966 5.110645 6.248090 4.132919 0.000000 2.465133 5.798552 3.182601 7.189349 5.239592 5.762855 5.426631 4.445446 5.498410 6.020311 3.126543 6.052786 6.797115 5.464608 1.523083 0.000000 3.276417 2.231576 3.674996 4.895366 3.359191 5.370760 6.743361 3.852478 4.618566 2.619243 3.316713 4.424420 5.703882 1.362005 3.644361 5.108748 0.000000 2.996002 6.824152 4.175886 7.149047 5.496288 5.354542 4.461154 4.752742 5.923967 6.555132 3.806156 5.997180 6.994373 6.313155 2.570553 1.540247 6.070874 0.000000 5.067475 6.986530 6.318245 2.872817 3.630624 1.389287 2.260611 4.075891 4.924379 4.875448 5.208932 2.488252 4.478417 6.067673 6.378844 6.885979 6.724478 6.262993 0.000000 3.165156 6.096036 4.847837 3.511685 3.012467 1.384090 1.306453 3.161514 4.499071 4.403088 3.699138 2.537308 4.775849 5.132955 4.312191 4.773487 5.459372 4.147030 2.222319 0.000000 3.938644 2.232062 3.687075 6.215018 4.482355 6.589066 7.855082 4.625104 5.130499 3.719692 3.790719 5.684320 6.381273 2.241422 3.923744 5.236255 1.431552 6.464038 7.959269 6.588503 0.000000 4.299178 1.359370 3.357456 6.274712 4.435407 6.719396 8.149533 4.365125 4.457595 3.592089 3.707303 5.739228 5.698679 2.199744 4.511368 5.650639 2.231288 6.890652 8.042406 6.875114 1.359961 0.000000 5.271906 7.849784 6.703682 4.112680 4.536200 2.192233 1.385280 4.734740 5.712879 5.896007 5.612580 3.569391 5.438907 6.922684 6.414432 6.679559 7.419153 5.780657 1.364292 2.148115 8.608217 8.787926 0.000000 3.637842 7.567283 5.306035 7.373541 6.030770 5.619794 4.466091 5.616191 6.963122 7.052344 4.757707 6.332281 7.951981 6.842253 3.108488 2.545439 6.401531 1.504358 6.461261 4.300651 6.928793 7.594231 5.851209 0.000000 4.041852 7.977596 5.993944 6.898323 5.948169 5.089355 3.667864 5.770981 7.205716 7.053427 5.219629 5.960263 7.993167 7.078681 3.890476 3.666303 6.704035 2.521322 5.756360 3.734420 7.463249 8.166310 5.021458 1.331820 0.000000 2.606648 4.500130 3.023684 3.729554 2.072500 2.391497 3.428653 1.090921 2.136614 3.416594 2.101111 2.563158 2.750713 4.018466 3.967608 4.394313 4.758281 4.351276 3.405714 2.477593 5.579097 5.403081 3.871357 5.218663 5.260485 0.000000 4.032152 2.506966 2.820623 4.615596 2.819240 4.752507 6.386938 2.166091 1.091079 2.780196 2.798260 3.940336 2.177692 2.959195 5.102699 5.825009 4.154816 6.485559 5.764997 5.282603 4.488800 3.629120 6.633001 7.502300 7.825085 3.045031 0.000000 3.937802 3.966162 2.626462 5.262655 3.419310 4.638959 5.792260 2.129885 1.092468 4.032593 2.686072 4.340268 2.168514 4.270470 4.973002 5.250957 5.260088 5.682671 5.498593 4.912155 5.574755 4.844982 6.097706 6.890289 7.271325 2.434738 1.740328 0.000000 4.217272 3.251672 4.887328 2.322615 2.072698 3.805759 5.801048 3.411544 4.036893 1.087979 4.067748 2.443891 4.337380 2.123983 5.328172 6.649394 2.890019 7.092883 4.880257 4.583986 4.158008 4.266653 5.946397 7.386082 7.233082 4.144324 3.840616 5.062725 0.000000 4.465754 2.515632 4.323369 3.007845 2.129292 4.229360 6.306934 2.893739 2.821882 1.093706 3.776484 2.898895 3.052789 2.119393 5.653724 6.793653 3.423867 7.346740 5.234168 5.105881 4.289226 3.834907 6.367408 7.966949 7.990483 3.785253 2.404994 3.873930 1.753275 0.000000 5.149320 4.386480 4.864004 3.156060 2.726943 3.707600 5.671699 2.838951 2.188073 3.038782 4.286716 2.901481 1.093398 4.203671 6.534626 7.276351 5.484465 7.473111 4.230089 4.782069 6.311767 5.712834 5.379976 8.274965 8.196606 3.161478 2.552805 3.088080 3.638349 2.431911 0.000000 5.829069 4.884979 4.910009 4.886631 4.020260 4.997479 6.624300 3.491643 2.170118 4.339620 4.704783 4.452195 1.092264 5.139831 7.088173 7.572683 6.429339 7.841564 5.447904 5.843353 6.953105 6.096170 6.398683 8.888182 8.996224 3.736480 2.517576 2.502413 5.147428 3.652450 1.763451 0.000000 5.052048 5.355447 4.732822 4.051001 3.337393 3.548091 4.968968 2.793615 2.180757 4.218188 4.192411 3.422331 1.094705 5.208478 6.408540 6.795123 6.356184 6.754980 3.850223 4.347245 7.117511 6.548372 4.687368 7.693066 7.640137 2.552196 3.089522 2.534303 4.916722 3.902241 1.764799 1.766137 0.000000 2.012755 5.200329 3.719991 6.187240 4.531300 5.192874 5.197784 4.371189 5.702374 5.066331 3.216331 5.242740 6.914820 4.464333 1.090071 2.173639 3.754414 2.831984 6.440639 4.320632 4.202414 5.042877 6.411901 2.798370 3.407900 4.546859 5.875530 5.869341 5.400074 6.045679 7.071312 7.825919 7.041974 0.000000 2.075137 4.087081 2.498789 6.539509 4.489371 5.798669 6.210376 4.023434 4.998874 4.750869 2.556859 5.568806 6.419771 3.795756 1.090951 2.173727 3.183082 3.516973 7.131194 5.184151 3.101591 3.692630 7.307310 4.106052 4.945397 4.489350 4.939272 5.035559 5.349785 5.550836 6.698097 7.164796 6.747056 1.784951 0.000000 3.382403 6.427405 3.974634 8.136140 6.198149 6.775828 6.355236 5.468687 6.486280 6.857246 4.072893 7.034255 7.833362 6.142613 2.122206 1.096965 5.594407 2.170826 7.905006 5.747896 5.536905 6.065923 7.652738 2.783787 4.050082 5.478819 6.719444 6.218289 7.445235 7.658470 8.301838 8.582007 7.871621 2.490860 2.470153 0.000000 2.758198 5.586025 2.649715 7.389715 5.295325 5.991118 5.811581 4.253925 5.043947 6.055884 2.926669 6.221359 6.390601 5.488741 2.142736 1.092452 5.326959 2.172318 7.094411 5.137892 5.307157 5.462830 6.963851 3.478053 4.560285 4.235552 5.357681 4.615008 6.826494 6.686832 6.999616 7.051440 6.418218 3.061785 2.465378 1.757566 0.000000 3.318886 3.270585 4.312015 4.788086 3.558700 5.208943 6.425906 4.254211 5.266123 3.022279 3.747198 4.375366 6.260766 2.175633 3.607892 5.130271 1.078468 5.936600 6.537610 5.192125 2.257375 3.279388 7.148245 6.014391 6.181143 5.005790 4.962968 5.937695 2.978187 3.986900 5.969025 7.089483 6.792933 3.403002 3.354230 5.568720 5.557462 0.000000 3.969628 7.639688 4.775087 8.085612 6.411566 6.189430 5.113990 5.521257 6.539728 7.500530 4.589132 6.911154 7.590674 7.247670 3.486680 2.145678 7.044933 1.097150 6.984696 4.979811 7.325652 7.667627 6.391950 2.131840 3.162904 5.045316 7.138941 6.137771 8.097135 8.228025 8.176674 8.361716 7.284025 3.828804 4.305515 2.490743 2.439332 6.973096 0.000000 2.696494 6.529320 3.920096 6.357605 4.793947 4.436457 3.550491 4.012203 5.184603 5.998835 3.362722 5.184829 6.115404 5.981054 2.840135 2.174471 5.955323 1.094210 5.278008 3.259030 6.506077 6.809202 4.809389 2.139555 2.649168 3.441892 5.873454 4.976214 6.553089 6.727941 6.600849 6.985703 5.783446 3.197611 3.827197 3.077050 2.518569 5.864261 1.754914 0.000000 5.878677 7.264981 6.945784 2.741726 3.999992 2.151968 3.321347 4.577036 5.179781 5.052038 5.874119 2.758565 4.441605 6.390068 7.247117 7.828859 7.174442 7.285066 1.075889 3.243473 8.428833 8.420241 2.244022 7.519157 6.818101 4.034841 5.962385 5.840384 4.974964 5.228420 4.024582 5.309413 3.842410 7.334778 7.920599 8.861897 7.980072 7.039881 8.005434 6.289713 0.000000 2.213193 5.552924 4.147254 3.915716 2.880738 2.154306 2.134579 2.913455 4.399896 4.162529 3.012402 2.854314 5.008971 4.593016 3.262165 3.819023 4.726054 3.357392 3.248281 1.077422 5.774000 6.166198 3.201479 3.518464 3.165102 2.448052 5.059078 4.760273 4.420319 4.996498 5.076959 6.068607 4.755187 3.245574 4.160120 4.761578 4.280420 4.438235 4.308096 2.619069 4.219280 0.000000 4.502382 3.271254 4.342292 7.145913 5.440664 7.427129 8.518136 5.544188 6.113521 4.745271 4.537624 6.604289 7.413729 3.288247 4.144306 5.384801 2.256796 6.698460 8.809707 7.291096 1.078282 2.179659 9.369046 7.058556 7.681167 6.437007 5.496732 6.472391 5.098549 5.356431 7.374656 7.985372 8.118389 4.302642 3.217672 5.471303 5.534804 2.746389 7.520999 6.908099 9.336893 6.396063 0.000000 5.090993 2.072032 3.746576 7.183240 5.303338 7.594301 8.999277 5.048088 4.883962 4.487592 4.360682 6.634486 6.131113 3.193905 5.198839 6.161673 3.300122 7.483555 8.891782 7.748402 2.242211 1.076556 9.633505 8.300360 8.973967 6.071420 3.971199 5.109868 5.221389 4.552671 6.249164 6.363655 7.024154 5.831090 4.297844 6.506684 5.825042 4.332680 8.159549 7.440133 9.249207 7.045047 2.742984 0.000000 6.276240 8.907812 7.677927 5.019299 5.593130 3.247975 2.153652 5.743536 6.633964 6.942704 6.620163 4.588052 6.245833 7.996186 7.360332 7.504115 8.494602 6.469660 2.199226 3.169942 9.682027 9.855520 1.078476 6.476812 5.565003 4.829575 7.591988 6.954231 6.968266 7.368378 6.211010 7.136462 5.397002 7.337787 8.289509 8.450941 7.784612 8.203671 6.968101 5.512966 2.768552 4.186276 10.432890 10.687960 0.000000 4.281501 8.028026 5.834201 8.227388 6.832364 6.602617 5.516679 6.442759 7.770931 7.722054 5.421694 7.216480 8.852902 7.341432 3.416455 2.816184 6.726651 2.205547 7.490462 5.311700 7.108642 7.878987 6.900996 1.090647 2.092256 6.154628 8.214535 7.679875 8.033811 8.669983 9.169815 9.770849 8.663046 2.975862 4.251013 2.614337 3.809535 6.301457 2.593984 3.089935 8.540660 4.468829 7.072243 8.545625 7.518849 0.000000 4.891191 8.715220 6.932883 7.431083 6.690233 5.755510 4.302383 6.675603 8.150345 7.717013 6.137971 6.605200 8.905368 7.734186 4.650362 4.536177 7.242681 3.504300 6.345906 4.453906 8.033103 8.855915 5.572838 2.107584 1.084997 6.205681 8.733806 8.280462 7.771337 8.700735 9.027259 9.933709 8.561267 3.972076 5.647637 4.753627 5.502375 6.590905 4.075996 3.730265 7.379623 3.950518 8.170679 9.701802 6.032019 2.422636 0.000000 3.929448 7.810204 5.875086 6.190653 5.412387 4.229554 2.609662 5.259037 6.671075 6.645295 4.982965 5.257443 7.294554 6.885112 4.162942 4.025660 6.707471 2.798999 4.763887 2.859324 7.591031 8.177155 3.956498 2.120477 1.086288 4.612634 7.389201 6.775810 6.821997 7.519867 7.481744 8.308962 6.847580 3.831159 5.248859 4.640215 4.765971 6.233651 3.452979 2.475901 5.832267 2.533186 7.953077 9.006161 4.486869 3.076695 1.848475 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2582792 0.2144905 0.1440531 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= 1.48D-06 NBF= 1182 NBsUse= 1181 1.00D-06 EigRej= 8.22D-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= 1319 1312 1313 1319 1319 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.26853743546 -1165.34219378878 -0.073656353321 -1165.34211656797 0.000077220805 -1165.34248775278 -0.000371184802 -1165.34257309806 -0.000085345282 -1165.34258058523 -0.000007487176 -1165.34258118141 -0.000000596172 -1165.34258123990 -0.000000058496 -1165.34258124978 -0.000000009878 -1165.34258125073 -0.000000000949 -1165.34258125076 -0.000000000028 -1165.34258125 11 1.160154949902e+03 -7.466297034911e+03 2.766072864653e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321049424 LenY= 11319273868 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT22535.700S Tue Jan 18 04:13:16 2022 GINC-ESTREMERA PAULAPLA 18-Jan-2022 0 Single Point pefurazoate CONF9 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.3425813 RMSD=4.698e-09 Dipole=-1.018692,-0.6346741,0.2774136 Quadrupole=-3.910143,3.9981266,-0.0879835,3.6036164,3.0216336,8.211715 PG=C01 [X(C18H23N3O4)] 0 -0.0235259253 -1.3467780116 -0.0246797772 0 -3.6379716535 0.365301141 0.0678977034 0 -1.5237903304 -1.3265552741 1.6608077394 0 0.3540270327 3.2396885027 -1.3948946584 0 -0.4581820467 1.4353450202 -0.2430907249 0 1.8720433291 1.8785072818 -0.354592278 0 3.7288692943 0.6717796283 -0.146827796 0 -0.3923038439 0.737602191 1.056035614 0 -1.2127764606 1.4335063 2.1520195172 0 -1.8007857469 1.7108061496 -0.8079412518 0 -0.7495441998 -0.7528754018 0.936625934 0 0.5386491545 2.2588820418 -0.7028254222 0 -0.766234217 2.8795785304 2.3767163858 0 -2.6641679792 0.5002553842 -0.8870229049 0 -0.2263597785 -2.7721869254 -0.2318667197 0 0.5247766383 -3.6046173409 0.7989750389 0 -2.707181632 -0.5653757744 -1.734157422 0 2.0414360296 -3.338883792 0.837571646 0 2.9135226798 2.7800582847 -0.1739123859 0 2.4388550503 0.6158310033 -0.3457060669 0 -3.7595621548 -1.4174727392 -1.2696497711 0 -4.2857345949 -0.8047679959 -0.1754699854 0 4.0353673425 2.0174997331 -0.0281020408 0 2.7406252837 -3.6729055608 -0.4518692977 0 3.5610622494 -2.8614990554 -1.11688565 0 0.6533695012 0.7509729373 1.3666745345 0 -2.2756684813 1.3804344286 1.9114030364 0 -1.0872294914 0.8488387978 3.0662884459 0 -1.6389471436 2.1190787992 -1.8033406057 0 -2.311940132 2.4828021839 -0.225759961 0 -0.9113400332 3.4955341135 1.485054107 0 -1.3363300908 3.3357944798 3.1890572687 0 0.294110062 2.9311876242 2.6438977004 0 0.156286475 -2.9424071063 -1.2382774107 0 -1.2980027618 -2.9745994023 -0.2038414359 0 0.3408459523 -4.6587317586 0.55742672 0 0.0882209427 -3.4258770285 1.7843292267 0 -2.0532481379 -0.7270355319 -2.5763753609 0 2.4666644267 -3.9490447468 1.644182819 0 2.2337859592 -2.2953909166 1.1048145139 0 2.7366910863 3.8413033773 -0.1791500738 0 1.8480999894 -0.2700289026 -0.5103263378 0 -4.0816139966 -2.3549180813 -1.6941157711 0 -5.0783532868 -1.0577949288 0.5076888064 0 5.0455818579 2.3497568339 0.1512923772 0 2.5465315177 -4.6711607931 -0.8459821615 0 4.0399992844 -3.1808107745 -2.0366023661 0 3.8013646385 -1.8632360859 -0.7622754433