Gaussian 16 GINC-NODO01 BPR coments ES64L-G16RevC.02 10-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 39 39 86 87 411 (5D, 7F) def2SVP 111 111 C1[X(C14H15BN3O6)] C1[X(C14H15BN3O6)] UwB97XD def2SVP FTS #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprintgfinput 316.9772999999999 0 2 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.4196,-2.3409,-.2076;-2.5973,-2.8257,-.7426;-3.1073,-2.235,-1.8992;-2.4151,-1.1824,-2.4867;-1.2402,-.7389,-1.903;-.952,-2.7419,.6932;-3.1089,-3.6541,-.2527;-4.0415,-2.5937,-2.3353;-2.7839,-.6838,-3.3823;-.6621,.1002,-2.2885;2.4146,-1.2282,.7806;2.5962,-.2733,-.3659;.4861,-.7322,-.093;-.7632,-1.3181,-.7882;1.1796,-1.581,.9111;1.4733,.002,-.9366;-.0306,.2837,.6749;-.9088,1.5909,.9956;-.3906,1.9297,1.8942;3.8721,.2502,-.9434;3.7085,1.1291,-1.616;3.4245,-1.6784,1.7867;3.0676,-2.5564,2.3802;4.9543,-.2417,-.7786;4.4751,-1.138,1.9996;-2.2363,.9838,1.195;-.5611,2.2897,-.2566;-1.1553,2.2215,-1.3061;-2.9352,.4833,.3457;-2.5679,.9932,2.4953;.5774,2.9716,-.0968;-3.7933,.3694,2.8316;-3.7884,-.6909,2.5372;-3.8953,.4579,3.9189;-4.6379,.8638,2.33;1.1582,3.499,-1.2776;.4642,4.1798,-1.7905;2.0568,4.0402,-.961;1.4279,2.6762,-1.9565; /usr/local/CompChem/Gaussian/g16/g16 Output=4_TS_2COOMe.log chk=4_TS_2COOMe.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint g 1/5=1,10=4,11=1,18=20,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=2,74=-58,140=1/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,10=4,11=1,18=20,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/5=1,11=1,18=20,26=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 coments 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 12 12 12 12 12 1 1 1 1 1 12 12 11 14 14 14 1 12 1 12 1 12 1 16 16 12 12 16 16 16 16 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 11.0093053 14.0030740 14.0030740 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 15.9949146 15.9949146 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 1 1 1 1 0 0 3 2 2 2 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 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 (Enter /usr/local/CompChem/Gaussian/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 1 1 1 2 2 3 3 4 4 5 5 11 11 11 12 12 13 13 13 13 17 18 18 18 20 20 22 22 26 26 27 27 30 31 32 32 32 36 36 36 2 6 14 3 7 4 8 5 9 10 14 12 15 22 16 20 14 15 16 17 18 19 26 27 21 24 23 25 29 30 28 31 32 36 33 34 35 37 38 39 1.3814 1.0912 1.3469 1.3952 1.0899 1.39 1.0917 1.3848 1.0894 1.0894 1.3438 1.5031 1.291 1.4948 1.2893 1.4951 1.5451 1.4865 1.4917 1.3743 1.607 1.0912 1.4733 1.4756 1.1188 1.2001 1.1184 1.2005 1.2085 1.342 1.208 1.3367 1.4156 1.4176 1.1004 1.0956 1.0997 1.0992 1.0957 1.1003 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 6 1 1 3 2 2 4 3 3 5 4 4 10 12 12 15 11 11 16 14 14 14 15 15 16 1 1 5 11 12 13 17 17 17 19 19 26 12 12 21 11 11 23 18 18 29 18 18 28 26 27 30 30 30 33 33 34 31 31 31 37 37 38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 16 17 18 18 18 18 18 18 20 20 20 22 22 22 26 26 26 27 27 27 30 31 32 32 32 32 32 32 36 36 36 36 36 36 6 14 14 3 7 7 4 8 8 5 9 9 10 14 14 15 22 22 16 20 20 15 16 17 16 17 17 5 13 13 13 13 18 19 26 27 26 27 27 21 24 24 23 25 25 29 30 30 28 31 31 32 36 33 34 35 34 35 35 37 38 39 38 39 39 123.7852 120.9997 115.2149 118.9522 119.5272 121.5199 119.2711 120.3219 120.4066 119.1341 121.6999 119.1533 123.2114 120.849 115.9219 111.4809 128.5363 119.7381 111.5968 128.3281 119.8304 117.6847 117.8621 103.1647 110.7457 102.7111 101.5952 120.7918 119.2147 119.789 102.8315 102.7672 156.6639 99.0543 100.618 94.9986 116.3853 116.0943 121.4864 112.4876 124.9579 122.4402 112.209 125.1064 122.5869 126.6289 110.5447 122.7526 126.4883 109.9304 123.4779 116.1703 116.0533 110.9274 106.3039 110.9945 110.1103 108.3332 110.1746 111.1246 106.2061 109.6441 110.2849 109.2675 110.2811 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 6 14 14 2 2 6 6 1 1 7 7 2 2 8 8 3 3 9 9 4 4 10 10 15 15 22 22 12 22 12 12 15 15 11 20 11 11 16 16 15 15 16 16 17 17 14 16 17 14 15 17 14 15 16 13 13 13 17 17 19 19 27 27 17 17 19 19 26 26 18 29 18 28 26 26 26 27 27 27 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 26 26 27 27 30 30 30 31 31 31 2 2 2 2 14 14 14 14 3 3 3 3 4 4 4 4 5 5 5 5 14 14 14 14 12 12 12 12 15 15 22 22 22 22 16 16 20 20 20 20 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 26 26 26 26 26 26 27 27 27 27 27 27 30 30 31 31 32 32 32 36 36 36 3 7 3 7 5 13 5 13 4 8 4 8 5 9 5 9 10 14 10 14 1 13 1 13 16 20 16 20 13 13 23 25 23 25 13 13 21 24 21 24 1 5 1 5 1 5 11 11 11 12 12 12 18 18 18 19 26 27 29 30 29 30 29 30 28 31 28 31 28 31 32 32 36 36 33 34 35 37 38 39 179.9008 0.2011 -0.2693 -179.969 0.2127 175.0064 -179.9435 -5.1498 0.4057 -179.3773 -179.9009 0.3162 -0.4846 -179.176 179.2981 0.6068 -177.9766 0.4314 0.7485 179.1565 -0.2942 -175.0581 178.2249 3.4609 1.6156 -172.6102 -172.6024 13.1717 -5.612 169.181 -167.3811 16.1486 18.8168 -157.6534 3.32 178.1002 -165.8387 17.9822 20.3516 -155.8274 20.45 -164.7033 157.3216 -27.8317 -91.7542 83.0925 147.5342 7.7966 -100.0079 -146.5087 -6.8503 101.6864 -49.0698 -171.8823 73.4744 -159.5773 81.2314 -42.1233 -69.9017 107.0219 -175.669 1.2546 32.7355 -150.3409 89.8338 -86.552 -167.5314 16.0829 -15.8584 167.7559 -176.6377 0.4269 169.2794 -7.237 59.5641 179.2594 -60.9303 58.6618 178.6179 -62.2371 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 435 A 411 A 705 435 2086.9666893760 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 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 Berny optimization. saddle point Step number 14 out of a maximum of 195 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.02940 0.00104 0.00167 0.00253 0.00287 0.00347 0.00372 0.00433 0.00803 0.01028 0.01339 0.01439 0.01676 0.01738 0.01920 0.02111 0.02188 0.02201 0.02380 0.02434 0.02550 0.02631 0.02737 0.03021 0.03098 0.03454 0.03674 0.04497 0.04644 0.05198 0.05230 0.05654 0.07415 0.07556 0.08073 0.08210 0.08302 0.08452 0.08610 0.09696 0.10365 0.10897 0.11307 0.11493 0.12126 0.12715 0.12989 0.13201 0.13337 0.13429 0.14800 0.15276 0.16405 0.17853 0.18853 0.18952 0.18970 0.19105 0.19168 0.19291 0.19781 0.19896 0.20550 0.21045 0.21304 0.21661 0.21968 0.24018 0.25318 0.25630 0.25970 0.26583 0.27185 0.27493 0.28252 0.30108 0.30243 0.30808 0.30932 0.31989 0.34105 0.34366 0.34487 0.34542 0.34666 0.35574 0.35625 0.36745 0.36909 0.37067 0.37167 0.37285 0.37416 0.37845 0.39934 0.40021 0.40436 0.44818 0.45522 0.49343 0.50209 0.51406 0.52548 0.54197 0.56600 0.59444 0.67936 0.89968 0.91401 0.93891 0.94839 3.684221331e-12 0.00000000e+00 Linear search 1 2 0.00021487 0.00000005 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 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 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 2.61138 2.06207 2.54345 2.63641 2.05973 2.62618 2.06298 2.61806 2.05874 2.05868 2.53746 2.85044 2.42781 2.82815 2.42553 2.82846 2.94077 2.83693 2.84689 2.48658 3.16603 2.06084 2.77576 2.78105 2.11371 2.26758 2.11303 2.26813 2.28445 2.53781 2.28352 2.52703 2.67433 2.67876 2.07959 2.07036 2.07833 2.07728 2.07062 2.07914 2.15876 2.11289 2.01153 2.07574 2.08643 2.12101 2.08113 2.10027 2.10178 2.07911 2.12409 2.07977 2.14926 2.11007 2.02355 1.94822 2.23614 2.09459 1.94966 2.23126 2.09654 2.01740 2.01964 1.82547 1.91179 1.84775 1.81967 2.10740 2.08057 2.09135 1.80231 1.80130 2.70497 1.68126 1.72967 1.64362 2.04193 2.03866 2.13539 1.96890 2.17393 2.13809 1.96325 2.17700 2.14090 2.21243 1.92732 2.14218 2.20787 1.91875 2.15518 2.02665 2.02527 1.93618 1.85557 1.93756 1.92173 1.89016 1.92291 1.93941 1.85360 1.91313 1.92472 1.90748 1.92510 -3.13985 0.00566 -0.00376 -3.14144 0.00275 3.04984 3.13927 -0.09682 0.00663 -3.13146 -3.13896 0.00614 -0.00845 -3.12763 3.12963 0.01045 -3.10666 0.00752 0.01310 3.12728 -0.00464 -3.05116 3.11142 0.06491 0.02941 -2.99608 -3.01195 0.24574 -0.10489 2.94567 -2.88907 0.31974 0.36015 -2.71423 0.06320 3.09883 -2.87461 0.33801 0.39174 -2.67883 0.43339 -2.80182 2.70155 -0.53365 -1.59070 1.45728 2.46344 0.14428 -1.80831 -2.44503 -0.12702 1.84390 -0.86983 -3.00867 1.25815 -2.78712 1.42430 -0.73489 -1.28699 1.80140 -3.06621 0.02218 0.47365 -2.72115 1.59105 -1.49534 -2.95994 0.23685 -0.21591 2.98088 -3.08596 0.00497 2.96562 -0.12277 1.04181 3.13102 -1.06076 1.02191 3.11533 -1.08830 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 -0.00002 0.00006 0.00002 -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 -0.00002 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00003 0.00002 -0.00003 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00015 -0.00006 -0.00004 0.00004 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00004 -0.00001 -0.00004 -0.00000 0.00002 0.00001 0.00005 0.00005 -0.00000 0.00000 -0.00001 -0.00001 0.00002 0.00003 -0.00002 -0.00004 -0.00003 -0.00005 -0.00002 -0.00002 0.00014 0.00014 0.00014 0.00014 0.00025 0.00025 0.00031 0.00031 0.00030 0.00030 0.00002 -0.00003 -0.00004 -0.00002 0.00003 0.00001 -0.00028 -0.00026 -0.00028 0.00033 0.00034 0.00033 -0.00032 -0.00031 -0.00022 -0.00022 -0.00030 -0.00029 -0.00007 -0.00007 -0.00012 -0.00012 -0.00004 -0.00005 -0.00001 0.00000 0.00001 0.00000 0.00012 0.00011 0.00012 -0.00002 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 -0.00002 0.00006 0.00002 -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 -0.00002 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00003 0.00002 -0.00003 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00015 -0.00006 -0.00004 0.00004 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00004 -0.00001 -0.00004 -0.00000 0.00002 0.00001 0.00005 0.00005 -0.00000 0.00000 -0.00001 -0.00001 0.00002 0.00003 -0.00002 -0.00004 -0.00003 -0.00005 -0.00002 -0.00002 0.00014 0.00014 0.00014 0.00014 0.00025 0.00025 0.00031 0.00031 0.00030 0.00030 0.00002 -0.00003 -0.00004 -0.00002 0.00003 0.00001 -0.00028 -0.00026 -0.00028 0.00033 0.00034 0.00033 -0.00032 -0.00031 -0.00022 -0.00022 -0.00030 -0.00029 -0.00007 -0.00007 -0.00012 -0.00012 -0.00004 -0.00005 -0.00001 0.00000 0.00001 0.00000 0.00012 0.00011 0.00012 -0.00002 -0.00002 -0.00001 2.61138 2.06207 2.54345 2.63641 2.05973 2.62617 2.06298 2.61807 2.05874 2.05868 2.53746 2.85043 2.42782 2.82814 2.42554 2.82846 2.94077 2.83691 2.84688 2.48664 3.16605 2.06084 2.77575 2.78106 2.11371 2.26758 2.11303 2.26813 2.28445 2.53781 2.28351 2.52703 2.67433 2.67876 2.07959 2.07036 2.07833 2.07728 2.07062 2.07914 2.15874 2.11289 2.01154 2.07574 2.08643 2.12101 2.08113 2.10027 2.10178 2.07911 2.12409 2.07977 2.14928 2.11007 2.02354 1.94822 2.23612 2.09460 1.94966 2.23125 2.09655 2.01742 2.01965 1.82544 1.91181 1.84772 1.81968 2.10740 2.08057 2.09135 1.80230 1.80129 2.70483 1.68120 1.72962 1.64366 2.04195 2.03867 2.13540 1.96892 2.17391 2.13809 1.96326 2.17699 2.14090 2.21243 1.92731 2.14218 2.20787 1.91875 2.15518 2.02664 2.02527 1.93617 1.85557 1.93757 1.92173 1.89016 1.92291 1.93941 1.85360 1.91313 1.92472 1.90748 1.92510 -3.13986 0.00566 -0.00377 -3.14144 0.00274 3.04984 3.13927 -0.09682 0.00664 -3.13145 -3.13896 0.00614 -0.00846 -3.12765 3.12963 0.01044 -3.10670 0.00751 0.01306 3.12727 -0.00463 -3.05114 3.11147 0.06495 0.02941 -2.99608 -3.01196 0.24574 -0.10487 2.94570 -2.88909 0.31970 0.36012 -2.71428 0.06318 3.09880 -2.87447 0.33815 0.39188 -2.67868 0.43364 -2.80157 2.70186 -0.53334 -1.59040 1.45758 2.46346 0.14424 -1.80835 -2.44505 -0.12699 1.84391 -0.87012 -3.00894 1.25787 -2.78678 1.42464 -0.73456 -1.28731 1.80108 -3.06643 0.02197 0.47335 -2.72144 1.59098 -1.49542 -2.96006 0.23673 -0.21595 2.98083 -3.08596 0.00497 2.96563 -0.12277 1.04193 3.13113 -1.06064 1.02189 3.11531 -1.08831 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.000788 0.000215 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.291515e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 2 2 3 3 4 4 5 5 11 11 11 12 12 13 13 13 13 17 18 18 18 20 20 22 22 26 26 27 27 30 31 32 32 32 36 36 36 2 6 14 3 7 4 8 5 9 10 14 12 15 22 16 20 14 15 16 17 18 19 26 27 21 24 23 25 29 30 28 31 32 36 33 34 35 37 38 39 1.3819 1.0912 1.3459 1.3951 1.09 1.3897 1.0917 1.3854 1.0894 1.0894 1.3428 1.5084 1.2847 1.4966 1.2835 1.4968 1.5562 1.5012 1.5065 1.3158 1.6754 1.0905 1.4689 1.4717 1.1185 1.1999 1.1182 1.2002 1.2089 1.343 1.2084 1.3372 1.4152 1.4175 1.1005 1.0956 1.0998 1.0992 1.0957 1.1002 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 6 1 1 3 2 2 4 3 3 5 4 4 10 12 12 15 11 11 16 14 14 14 15 15 16 1 1 5 11 12 13 17 17 17 19 19 26 12 12 21 11 11 23 18 18 29 18 18 28 26 27 30 30 30 33 33 34 31 31 31 37 37 38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 16 17 18 18 18 18 18 18 20 20 20 22 22 22 26 26 26 27 27 27 30 31 32 32 32 32 32 32 36 36 36 36 36 36 6 14 14 3 7 7 4 8 8 5 9 9 10 14 14 15 22 22 16 20 20 15 16 17 16 17 17 5 13 13 13 13 18 19 26 27 26 27 27 21 24 24 23 25 25 29 30 30 28 31 31 32 36 33 34 35 34 35 35 37 38 39 38 39 39 123.6878 121.0596 115.252 118.931 119.5438 121.5248 119.2398 120.3365 120.4233 119.1241 121.7013 119.1623 123.1435 120.8982 115.9411 111.6246 128.1212 120.011 111.707 127.8421 120.1231 115.5887 115.7168 104.5918 109.5377 105.8681 104.2593 120.7454 119.208 119.8253 103.2649 103.2068 154.9836 96.3291 99.1026 94.1726 116.9942 116.8068 122.3488 112.8095 124.5569 122.5035 112.486 124.7326 122.6646 126.7629 110.427 122.7377 126.5017 109.9363 123.4829 116.1183 116.0395 110.9348 106.3161 111.0141 110.1072 108.2983 110.1744 111.1203 106.2033 109.6145 110.2784 109.2908 110.3 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 6 14 14 2 2 6 6 1 1 7 7 2 2 8 8 3 3 9 9 4 4 10 10 15 15 22 22 12 22 12 12 15 15 11 20 11 11 16 16 15 15 16 16 17 17 14 16 17 14 15 17 14 15 16 13 13 13 17 17 19 19 27 27 17 17 19 19 26 26 18 29 18 28 26 26 26 27 27 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 26 26 27 27 30 30 30 31 31 2 2 2 2 14 14 14 14 3 3 3 3 4 4 4 4 5 5 5 5 14 14 14 14 12 12 12 12 15 15 22 22 22 22 16 16 20 20 20 20 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 26 26 26 26 26 26 27 27 27 27 27 27 30 30 31 31 32 32 32 36 36 3 7 3 7 5 13 5 13 4 8 4 8 5 9 5 9 10 14 10 14 1 13 1 13 16 20 16 20 13 13 23 25 23 25 13 13 21 24 21 24 1 5 1 5 1 5 11 11 11 12 12 12 18 18 18 19 26 27 29 30 29 30 29 30 28 31 28 31 28 31 32 32 36 36 33 34 35 37 38 -179.8999 0.3242 -0.2156 -179.9915 0.1575 174.7431 179.867 -5.5473 0.3797 -179.4193 -179.8491 0.3519 -0.4844 -179.2002 179.3145 0.5986 -177.9983 0.4309 0.7505 179.1798 -0.266 -174.8185 178.2714 3.719 1.6853 -171.6626 -172.572 14.0801 -6.0099 168.7743 -165.5315 18.3196 20.6352 -155.5137 3.621 177.5498 -164.7028 19.3667 22.4451 -153.4854 24.8314 -160.5323 154.7876 -30.576 -91.1404 83.496 141.1446 8.2666 -103.6086 -140.0896 -7.2779 105.6478 -49.8378 -172.3844 72.0865 -159.69 81.6063 -42.1062 -73.7392 103.2123 -175.6806 1.2709 27.1381 -155.9104 91.1602 -85.6769 -169.5921 13.5708 -12.3708 170.7921 -176.8123 0.2845 169.9176 -7.0342 59.6912 179.3943 -60.7773 58.5509 178.4951 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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-D2 -0.0308724224 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.4196,-2.3409,-.2076;-2.5973,-2.8257,-.7426;-3.1072,-2.235,-1.8992;-2.4151,-1.1824,-2.4867;-1.2402,-.739,-1.903;-.952,-2.7419,.6932;-3.1089,-3.6541,-.2527;-4.0415,-2.5937,-2.3353;-2.7839,-.6838,-3.3823;-.6621,.1002,-2.2885;2.4146,-1.2282,.7807;2.5962,-.2733,-.3659;.4861,-.7322,-.093;-.7632,-1.3181,-.7882;1.1796,-1.581,.9111;1.4734,.002,-.9366;-.0306,.2837,.6749;-.9088,1.5908,.9956;-.3906,1.9297,1.8942;3.8721,.2502,-.9434;3.7084,1.1291,-1.616;3.4245,-1.6783,1.7866;3.0676,-2.5565,2.3802;4.9543,-.2417,-.7786;4.4751,-1.138,1.9996;-2.2363,.9838,1.195;-.5611,2.2897,-.2566;-1.1553,2.2215,-1.3061;-2.9352,.4833,.3457;-2.5679,.9932,2.4953;.5774,2.9717,-.0968;-3.7933,.3693,2.8316;-3.7884,-.6909,2.5372;-3.8953,.4579,3.9189;-4.6379,.8638,2.33;1.1582,3.499,-1.2776;.4642,4.1798,-1.7905;2.0568,4.0402,-.961;1.4279,2.6762,-1.9565; 0.000000 1.381375 0.000000 2.391825 1.395229 0.000000 2.743569 2.403170 1.389995 0.000000 2.339426 2.746410 2.392495 1.384804 0.000000 1.091230 2.185280 3.409147 3.831930 3.291633 0.000000 2.140128 1.089922 2.173618 3.403058 3.835810 2.525682 0.000000 3.386058 2.162467 1.091651 2.158654 3.387368 4.328811 2.516202 0.000000 3.832236 3.404479 2.170330 1.089416 2.138775 4.919435 4.326925 2.515034 0.000000 3.295867 3.833447 3.403406 2.181110 1.089440 4.129329 4.921926 4.321958 2.512577 0.000000 4.112917 5.476448 6.219821 5.831250 4.560605 3.692283 6.120620 7.297622 6.682157 4.544283 0.000000 4.519619 5.799061 6.223242 5.517003 4.159038 4.450310 6.632558 7.302204 6.181662 3.801651 1.503129 0.000000 2.496576 3.783134 4.293336 3.788002 2.501222 2.593286 4.635414 5.384436 4.638363 2.613636 2.174545 2.176598 0.000000 1.346881 2.374610 2.751271 2.373157 1.343785 2.063286 3.353467 3.842900 3.348868 2.067021 3.545126 3.543391 1.545099 0.000000 2.930017 4.306874 5.167456 4.962386 3.805721 2.437023 4.903449 6.230956 5.911632 4.056503 1.290980 2.312406 1.486487 2.594448 0.000000 3.793403 4.960203 5.187738 4.350350 2.974275 4.008393 5.901830 6.253613 4.957427 2.529322 2.312650 1.289307 1.491716 2.601321 2.450667 0.000000 3.097875 4.273863 4.736624 4.222662 3.025679 3.162831 5.083571 5.781710 4.997768 3.035487 2.876883 2.879888 1.374345 2.289850 2.235511 2.222201 0.000000 4.143340 5.037725 5.277325 4.699605 3.733626 4.343463 5.823067 6.198330 5.277903 3.615001 4.363305 4.196855 2.920148 3.415473 3.798536 3.454311 1.607032 0.000000 4.869696 5.868216 6.254126 5.742415 4.718260 4.855995 6.570889 7.188763 6.356037 4.573312 4.368216 4.345291 3.435528 4.228733 3.969430 3.899105 2.079707 1.091195 0.000000 5.937765 7.166153 7.469960 6.630394 5.294742 5.907824 8.028333 8.523465 7.149985 4.731852 2.698564 1.495121 3.626695 4.895837 3.747176 2.411530 4.225056 5.330453 5.389114 0.000000 6.349907 7.494335 7.605952 6.602910 5.297234 6.483532 8.438784 8.627731 6.968255 4.540097 3.602066 2.183243 4.020839 5.164246 4.486115 2.593750 4.465825 5.324721 5.455662 1.118758 0.000000 5.280284 6.631396 7.520564 7.253116 6.021236 4.634714 7.123759 8.577268 8.139486 6.039043 1.494808 2.700652 3.614228 4.929131 2.411545 3.747857 4.125952 5.485484 5.252040 3.372348 4.420443 0.000000 5.184399 6.474184 7.519631 7.458792 6.340809 4.363204 6.803389 8.530906 8.423344 6.539456 2.179208 3.602177 4.013584 5.123174 2.583458 4.481966 4.535791 5.910035 5.685089 4.423856 5.473867 1.118355 0.000000 6.734933 7.981504 8.379566 7.622980 6.315287 6.580366 8.771311 9.427584 8.176430 5.825830 3.139164 2.394110 4.546989 5.817917 4.347013 3.493010 5.218984 6.393834 6.358096 1.200091 2.032792 3.314315 4.346898 0.000000 6.408326 7.770910 8.596295 8.222126 6.932124 5.808005 8.301880 9.666615 9.047898 6.805271 2.395749 3.142201 4.522841 5.936683 3.498766 4.351009 4.906891 6.118868 5.752924 3.309389 4.335907 1.200482 2.034214 2.958278 0.000000 3.699719 4.289214 4.548983 4.275429 3.682127 3.972637 4.936325 5.340440 4.902304 3.923471 5.166820 5.231626 3.466291 3.376724 4.281032 4.389662 2.371850 1.473296 2.188654 6.513323 6.577472 6.283451 6.486088 7.556536 7.084655 0.000000 4.709767 5.527185 5.445519 4.523947 3.513502 5.135315 6.466813 6.346774 4.853095 2.988784 4.723016 4.068130 3.202368 3.652395 4.401773 3.136082 2.274438 1.475563 2.187332 4.927943 4.628648 5.983757 6.603427 6.090960 6.496380 2.572697 0.000000 4.700207 5.279306 4.901218 3.816731 3.021231 5.354733 6.280781 5.707466 3.924749 2.389221 5.385133 4.602392 3.590245 3.598740 4.982601 3.460143 2.990691 2.399231 3.303260 5.412239 4.994571 6.763758 7.365471 6.608517 7.342706 2.992634 1.207958 0.000000 3.252552 3.499746 3.529583 3.326731 3.069771 3.802026 4.184025 4.228385 3.909295 3.500323 5.633746 5.628060 3.657186 3.041123 4.638161 4.616373 2.929977 2.399055 3.311335 6.932152 6.957223 6.869842 7.029416 8.002058 7.763796 1.208456 3.043346 2.986201 0.000000 4.443029 5.006936 5.479392 5.438469 4.910077 4.450795 5.426001 6.194516 6.116003 5.226330 5.718467 6.038126 4.359327 4.402397 4.814602 5.393741 3.202384 2.314995 2.445281 7.338315 7.504321 6.599139 6.661264 8.296208 7.375096 1.341976 3.644364 4.237331 2.239644 0.000000 5.676575 6.641170 6.628280 5.650005 4.509383 5.967191 7.583752 7.570856 5.954400 3.819038 4.667380 3.831141 3.704947 4.547245 4.701564 3.213509 2.861850 2.304082 2.446783 4.356372 3.937833 5.768524 6.549539 5.472391 6.039545 3.679314 1.336713 2.242173 4.327346 4.530661 0.000000 4.713476 4.941108 5.443709 5.708933 5.492178 4.725023 5.115632 5.961406 6.382874 6.007715 6.730362 7.173807 5.299128 5.013268 5.676511 6.486324 4.337845 3.630948 3.859066 8.545400 8.754185 7.575112 7.472392 9.483028 8.445801 2.341038 4.865406 5.245022 2.632407 1.415586 5.869529 0.000000 3.983419 4.090686 4.746544 5.231325 5.119708 3.956293 4.126247 5.236967 6.004118 5.804025 6.469332 7.026089 5.019116 4.539159 5.302666 6.342990 4.305713 3.984369 4.338930 8.466618 8.761545 7.318805 7.107057 9.361152 8.293076 2.648607 5.206212 5.494167 2.628609 2.080249 6.277960 1.100367 0.000000 5.566846 5.847780 6.459269 6.775864 6.509724 5.413549 5.910052 6.960445 7.472984 7.008038 7.246168 7.812405 6.058755 5.926309 6.241709 7.252980 5.048712 4.329950 4.306853 9.166102 9.428833 7.917685 7.741845 10.043446 8.734671 3.232375 5.648616 6.157747 3.700043 2.018643 6.515380 1.095570 1.800020 0.000000 5.202537 5.217038 5.461764 5.685743 5.659628 5.409760 5.423936 5.837321 6.201785 6.141652 7.517651 7.803385 5.888410 5.431134 6.467895 6.982851 4.929775 4.026844 4.400672 9.138440 9.235942 8.471120 8.430611 10.143705 9.336114 2.658975 5.034240 5.214634 2.642248 2.080584 6.126320 1.099740 1.783677 1.800211 0.000000 6.472591 7.375085 7.173494 6.012154 4.909553 6.876417 8.391955 8.079385 6.120933 3.985907 5.306746 4.138739 4.444951 5.209219 5.531403 3.527671 3.945058 3.616758 3.862833 4.246343 3.497820 6.428860 7.327561 5.352696 6.575946 4.895174 2.336868 2.642975 5.337156 5.865008 1.417607 7.155306 7.521767 7.860647 7.318040 0.000000 6.969503 7.716739 7.342783 6.126038 5.206894 7.488906 8.746508 8.153413 6.061226 4.261439 6.297769 5.138586 5.197051 5.721745 6.402859 4.381950 4.637090 4.043564 4.401216 5.270007 4.456730 7.475105 8.339619 6.382302 7.663614 5.140105 2.641353 2.586998 5.457403 6.141432 2.083515 7.349205 7.780599 8.090454 7.348875 1.099207 0.000000 7.305581 8.297526 8.180798 7.042809 5.881992 7.601678 9.294510 9.115170 7.184091 4.967742 5.560376 4.387635 5.098622 6.057549 5.989269 4.080192 4.598324 4.315362 4.312298 4.202353 3.410528 6.490132 7.463298 5.173277 6.436362 5.693922 3.227067 3.707363 6.267280 6.528314 2.019211 7.879311 8.293813 8.489641 8.107966 1.095710 1.801095 0.000000 6.028126 6.924350 6.685103 5.471622 4.334151 6.483825 7.972309 7.604576 5.573316 3.333813 4.869302 3.548869 3.997046 4.703235 5.138847 2.862440 3.843886 3.918289 4.323377 3.589677 2.776754 6.079419 6.991110 4.726147 6.283622 5.120804 2.644859 2.702389 5.398630 6.214345 2.066142 7.450448 7.664242 8.232707 7.645421 1.100281 1.793613 1.801936 0.000000 C14H15BN3O6(2) 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 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.4196,-2.3409,-.2076;-2.5973,-2.8257,-.7426;-3.1072,-2.235,-1.8992;-2.4151,-1.1824,-2.4867;-1.2402,-.739,-1.903;-.952,-2.7419,.6932;-3.1089,-3.6541,-.2527;-4.0415,-2.5937,-2.3353;-2.7839,-.6838,-3.3823;-.6621,.1002,-2.2885;2.4146,-1.2282,.7807;2.5962,-.2733,-.3659;.4861,-.7322,-.093;-.7632,-1.3181,-.7882;1.1796,-1.581,.9111;1.4734,.002,-.9366;-.0306,.2837,.6749;-.9088,1.5908,.9956;-.3906,1.9297,1.8942;3.8721,.2502,-.9434;3.7084,1.1291,-1.616;3.4245,-1.6783,1.7866;3.0676,-2.5565,2.3802;4.9543,-.2417,-.7786;4.4751,-1.138,1.9996;-2.2363,.9838,1.195;-.5611,2.2897,-.2566;-1.1553,2.2215,-1.3061;-2.9352,.4833,.3457;-2.5679,.9932,2.4953;.5774,2.9717,-.0968;-3.7933,.3693,2.8316;-3.7884,-.6909,2.5372;-3.8953,.4579,3.9189;-4.6379,.8638,2.33;1.1582,3.499,-1.2776;.4642,4.1798,-1.7905;2.0568,4.0402,-.961;1.4279,2.6762,-1.9565; 0.3086060 0.1754085 0.1596756 -19.30810 -19.30055 -19.25404 -19.25238 -19.24891 -19.24247 -14.54768 -14.43103 -14.43031 -10.43420 -10.43000 -10.39244 -10.38899 -10.38219 -10.38037 -10.36826 -10.36113 -10.35644 -10.35225 -10.34872 -10.34475 -10.34432 -10.34025 -6.87398 -1.21093 -1.20290 -1.14077 -1.13531 -1.12383 -1.11473 -1.10670 -1.05161 -0.95482 -0.95477 -0.91256 -0.89472 -0.83658 -0.79980 -0.78971 -0.78467 -0.77291 -0.73692 -0.70217 -0.68461 -0.67778 -0.65097 -0.63099 -0.62503 -0.61379 -0.60329 -0.59486 -0.59446 -0.59065 -0.57752 -0.57332 -0.57063 -0.56691 -0.56022 -0.55337 -0.54665 -0.54099 -0.52635 -0.51474 -0.51047 -0.50686 -0.50450 -0.49927 -0.49527 -0.48591 -0.48030 -0.47476 -0.46712 -0.45054 -0.44048 -0.42895 -0.40867 -0.39989 -0.39460 -0.39308 -0.38827 -0.37384 -0.37012 -0.36051 -0.34927 -0.33355 -0.32614 -0.27187 -0.02529 -0.00354 0.00768 0.01942 0.07400 0.09591 0.11637 0.14110 0.14640 0.15121 0.16240 0.16938 0.17948 0.18476 0.19006 0.19387 0.19582 0.20221 0.20435 0.20822 0.21132 0.21342 0.21490 0.22190 0.22917 0.24262 0.26155 0.27483 0.29354 0.30014 0.30594 0.31428 0.31788 0.32353 0.33441 0.34115 0.35591 0.36870 0.37082 0.37781 0.38475 0.39332 0.40777 0.41640 0.42806 0.44210 0.45227 0.45625 0.46660 0.48141 0.48563 0.50249 0.50911 0.51539 0.52147 0.53152 0.53418 0.53501 0.54307 0.54551 0.54761 0.55222 0.55498 0.56891 0.57245 0.58958 0.59920 0.60335 0.60609 0.61902 0.62879 0.64545 0.66266 0.66481 0.67215 0.68226 0.68645 0.69235 0.69817 0.70337 0.71138 0.71385 0.71889 0.72253 0.72650 0.73074 0.73436 0.74053 0.74546 0.74937 0.75420 0.75719 0.76105 0.76491 0.76728 0.77004 0.77902 0.78148 0.78337 0.79177 0.79567 0.80026 0.80851 0.81300 0.82642 0.83756 0.85011 0.86102 0.87664 0.87683 0.88779 0.90584 0.92482 0.93083 0.96334 0.96956 0.98189 1.00005 1.00591 1.01063 1.02844 1.04060 1.05524 1.06097 1.07838 1.08471 1.09681 1.10552 1.10812 1.12331 1.14144 1.15288 1.16001 1.16831 1.17722 1.18162 1.18926 1.19684 1.20696 1.22337 1.24068 1.24173 1.25701 1.27308 1.28657 1.29024 1.29594 1.30541 1.31314 1.32782 1.33846 1.34856 1.35526 1.37073 1.37514 1.38772 1.39372 1.39995 1.40794 1.42145 1.43218 1.44520 1.45281 1.47636 1.49524 1.50655 1.52192 1.53647 1.54767 1.55828 1.56695 1.57874 1.58997 1.59600 1.60737 1.61248 1.63385 1.64745 1.65438 1.67042 1.69908 1.70758 1.71900 1.73842 1.74386 1.76210 1.77860 1.79356 1.79896 1.80079 1.80596 1.81106 1.81821 1.82089 1.82672 1.83129 1.83372 1.83992 1.85117 1.85343 1.86932 1.87855 1.88515 1.90631 1.91863 1.92280 1.93377 1.93756 1.95465 1.95929 1.96557 1.97302 1.97696 1.98944 1.99214 1.99908 2.00574 2.01866 2.02208 2.02671 2.03501 2.04792 2.05756 2.08112 2.08394 2.09849 2.11942 2.12230 2.13991 2.14904 2.16616 2.18249 2.19804 2.21548 2.22405 2.24277 2.26763 2.27733 2.28799 2.31874 2.32740 2.35054 2.36507 2.38850 2.39131 2.39507 2.40546 2.41185 2.43219 2.44607 2.44969 2.45824 2.46517 2.48266 2.48842 2.49407 2.52337 2.55738 2.59717 2.64892 2.66179 2.66637 2.67014 2.68095 2.70305 2.70655 2.72320 2.73282 2.73698 2.74274 2.75303 2.75753 2.76317 2.76927 2.77326 2.78382 2.78631 2.80006 2.81475 2.82220 2.83800 2.85738 2.86425 2.88118 2.88988 2.89701 2.90242 2.92823 2.95450 2.96053 2.96713 2.99008 2.99684 3.02541 3.03743 3.06181 3.06711 3.07126 3.08434 3.12790 3.15249 3.18380 3.19312 3.22173 3.23705 3.24179 3.26600 3.28785 3.29649 3.33199 3.33655 3.36547 3.42935 3.50861 3.52087 3.55277 3.63456 3.69298 3.69527 3.72724 3.73083 3.73329 3.78839 3.80436 -19.30768 -19.30026 -19.25334 -19.25159 -19.24735 -19.24108 -14.54834 -14.43161 -14.43103 -10.43473 -10.43053 -10.39200 -10.38855 -10.38245 -10.38064 -10.36788 -10.36115 -10.35666 -10.35249 -10.34874 -10.34357 -10.34288 -10.33312 -6.87101 -1.20952 -1.20187 -1.13933 -1.13383 -1.12370 -1.11229 -1.10431 -1.04979 -0.95473 -0.95454 -0.91199 -0.88212 -0.83569 -0.79512 -0.78502 -0.78335 -0.77179 -0.73577 -0.70068 -0.68231 -0.67591 -0.64996 -0.63074 -0.61985 -0.61188 -0.59988 -0.59364 -0.59144 -0.58642 -0.57573 -0.57221 -0.56911 -0.56551 -0.55736 -0.55138 -0.54414 -0.53985 -0.52176 -0.51227 -0.50702 -0.50266 -0.50003 -0.49681 -0.49412 -0.48354 -0.47699 -0.47243 -0.45896 -0.44946 -0.43942 -0.42596 -0.39623 -0.39258 -0.39051 -0.38649 -0.38294 -0.37245 -0.36759 -0.35774 -0.34942 -0.33220 -0.32404 -0.06915 -0.01991 0.00989 0.01584 0.02438 0.08278 0.10110 0.11670 0.14532 0.14932 0.15877 0.16296 0.17523 0.17997 0.18813 0.19359 0.19590 0.20025 0.20279 0.20546 0.20861 0.21214 0.21382 0.21536 0.22328 0.23041 0.24459 0.26223 0.27723 0.29487 0.30156 0.30671 0.31565 0.32158 0.32437 0.33547 0.34227 0.35757 0.37245 0.37396 0.37990 0.39131 0.39705 0.41073 0.42089 0.43047 0.45007 0.45306 0.45868 0.46979 0.48287 0.48614 0.50421 0.51122 0.51640 0.52316 0.53280 0.53532 0.53644 0.54384 0.54708 0.54979 0.55372 0.55676 0.57041 0.57397 0.59104 0.59959 0.60413 0.60762 0.62002 0.63004 0.64705 0.66502 0.66613 0.67322 0.68335 0.68939 0.69364 0.69973 0.70426 0.71418 0.71481 0.72016 0.72282 0.72831 0.73183 0.73474 0.74168 0.74819 0.75052 0.75623 0.75815 0.76206 0.76542 0.77087 0.77115 0.78065 0.78372 0.78444 0.79261 0.79675 0.80155 0.81038 0.81540 0.82838 0.83797 0.85135 0.86142 0.87774 0.87877 0.88874 0.90714 0.92578 0.93191 0.96523 0.97149 0.98512 1.00228 1.00694 1.01174 1.02943 1.04221 1.05727 1.06236 1.08004 1.08667 1.09846 1.10684 1.10932 1.12444 1.14237 1.15386 1.16065 1.16970 1.17957 1.18623 1.19031 1.19840 1.20795 1.22647 1.24184 1.24375 1.25903 1.27660 1.28847 1.29184 1.29697 1.30677 1.31487 1.33116 1.33988 1.34984 1.35725 1.37150 1.37766 1.39207 1.39547 1.40213 1.40976 1.42609 1.43465 1.44720 1.45524 1.47942 1.49679 1.50968 1.52585 1.53879 1.54978 1.56034 1.57023 1.58068 1.59051 1.59703 1.61096 1.61433 1.63480 1.64948 1.65661 1.67162 1.69968 1.70886 1.71943 1.74148 1.74465 1.76429 1.78025 1.79436 1.80009 1.80178 1.80676 1.81199 1.81896 1.82176 1.82859 1.83243 1.83462 1.84073 1.85159 1.85459 1.87047 1.88045 1.88655 1.90814 1.92124 1.92350 1.93597 1.93876 1.95837 1.96116 1.96709 1.97370 1.97806 1.99251 1.99343 2.00051 2.00727 2.02012 2.02377 2.02751 2.03632 2.04943 2.05911 2.08195 2.08639 2.10025 2.12002 2.12271 2.14142 2.15017 2.17117 2.18280 2.19856 2.22012 2.22803 2.24818 2.27112 2.28131 2.29389 2.32187 2.32858 2.35132 2.36664 2.38876 2.39199 2.39649 2.40572 2.41436 2.43611 2.44835 2.45416 2.46023 2.46937 2.48526 2.48983 2.49513 2.52722 2.55897 2.59784 2.64998 2.66426 2.66843 2.67308 2.68223 2.70451 2.70781 2.72812 2.73764 2.73796 2.74612 2.75542 2.75788 2.76381 2.77049 2.77458 2.78656 2.78801 2.80432 2.81648 2.82337 2.83861 2.85857 2.86593 2.88192 2.89098 2.90205 2.90400 2.93010 2.95571 2.96154 2.96876 2.99206 2.99832 3.02573 3.04042 3.06219 3.06886 3.07210 3.08575 3.12927 3.15454 3.18408 3.19342 3.22300 3.23833 3.24343 3.26700 3.28981 3.29802 3.33523 3.33918 3.36602 3.42995 3.50900 3.52170 3.55386 3.63522 3.69386 3.69614 3.72798 3.73140 3.73413 3.78964 3.80633 2-A. -8.4472 -2.4770 -1.7109 8.9676 -156.0239 -122.0196 -128.0806 20.2569 -6.6933 2.9940 -20.6492 13.3551 7.2941 20.2569 -6.6933 2.9940 -253.7623 14.8241 -5.2174 -8.6069 -3.2900 -15.3206 -53.1169 3.0587 -5.8426 -22.2189 -6256.2706 -2354.8261 -1733.3636 237.6224 -177.5512 97.9884 -72.8225 -47.5057 -5.5986 -1173.7781 -1108.9256 -721.4970 70.1557 -10.9469 45.4206 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.407,-2.3007,-.1474;-2.5617,-2.8191,-.7019;-3.058,-2.2553,-1.8776;-2.3757,-1.1954,-2.4628;-1.2242,-.7184,-1.8578;-.9507,-2.6821,.7675;-3.0654,-3.6528,-.2128;-3.9736,-2.6406,-2.3302;-2.7341,-.7169,-3.3735;-.6564,.1282,-2.242;2.4203,-1.2464,.7716;2.5933,-.2855,-.3781;.4644,-.6412,-.0015;-.7604,-1.2714,-.7255;1.1843,-1.5427,.9591;1.4653,.0493,-.8909;-.0445,.3287,.7278;-.9831,1.6888,1.0032;-.4673,2.0094,1.9091;3.8711,.1621,-1.0164;3.7412,1.0703,-1.6563;3.4629,-1.7495,1.7201;3.1164,-2.6376,2.3046;4.9168,-.4196,-.9271;4.5295,-1.2301,1.9021;-2.2893,1.0391,1.1742;-.5893,2.3469,-.2528;-1.1547,2.2609,-1.3173;-2.9749,.5532,.3052;-2.6208,.9881,2.4746;.5511,3.0224,-.0756;-3.8299,.3208,2.7835;-3.7975,-.7269,2.4485;-3.936,.3647,3.8731;-4.6864,.8119,2.299;1.1672,3.5224,-1.2503;.4921,4.1976,-1.795;2.0608,4.0638,-.9202;1.4489,2.6842,-1.905; 0.000000 1.381882 0.000000 2.391914 1.395129 0.000000 2.742464 2.402455 1.389712 0.000000 2.337178 2.745503 2.392660 1.385420 0.000000 1.091201 2.184741 3.408664 3.830892 3.289862 0.000000 2.140794 1.089963 2.173612 3.402506 3.834924 2.524911 0.000000 3.386391 2.162558 1.091681 2.158602 3.387775 4.328408 2.516459 0.000000 3.831137 3.403919 2.170110 1.089440 2.139443 4.918418 4.326607 2.515075 0.000000 3.293967 3.832578 3.403104 2.180954 1.089406 4.128176 4.921084 4.321785 2.512242 0.000000 4.074802 5.428134 6.168209 5.784900 4.524921 3.664025 6.070650 7.241990 6.635526 4.520784 0.000000 4.485189 5.753130 6.169716 5.464875 4.117117 4.429104 6.586950 7.244428 6.127008 3.769098 1.508387 0.000000 2.505481 3.793596 4.304886 3.798858 2.510635 2.599936 4.644845 5.395979 4.648321 2.620690 2.188464 2.191024 0.000000 1.345933 2.374933 2.752035 2.373391 1.342766 2.062847 3.353613 3.843696 3.348876 2.066311 3.515525 3.512925 1.556187 0.000000 2.917824 4.291936 5.152785 4.950097 3.796750 2.427653 4.887363 6.215208 5.899797 4.053047 1.284744 2.313896 1.501237 2.587177 0.000000 3.784917 4.947792 5.171533 4.332846 2.959399 4.006081 5.890120 6.236127 4.938203 2.516647 2.314053 1.283534 1.506512 2.593431 2.456826 0.000000 3.087980 4.276518 4.748197 4.235204 3.028728 3.144489 5.085568 5.797034 5.014758 3.038755 2.925397 2.925458 1.315839 2.277038 2.250640 2.231042 0.000000 4.173696 5.071583 5.306616 4.719301 3.746799 4.377457 5.860753 6.228907 5.292425 3.615762 4.500267 4.312418 2.921273 3.435324 3.891307 3.502902 1.675393 0.000000 4.867058 5.875160 6.263958 5.746818 4.712005 4.852531 6.581260 7.203321 6.362139 4.561345 4.498040 4.457056 3.397635 4.217899 4.030799 3.926400 2.097397 1.090549 0.000000 5.888837 7.096973 7.388944 6.554125 5.238822 5.875531 7.957028 8.433260 7.068026 4.690560 2.699193 1.496758 3.644217 4.857008 3.745337 2.411645 4.289669 5.474706 5.549074 0.000000 6.335966 7.467620 7.572140 6.572707 5.281663 6.478435 8.409641 8.587413 6.933482 4.535417 3.606470 2.188476 4.050270 5.158992 4.495070 2.609194 4.534877 5.456594 5.595105 1.118527 0.000000 5.244706 6.580704 7.464601 7.203644 5.986111 4.610549 7.069476 8.514698 8.087907 6.016049 1.496593 2.702255 3.630840 4.903667 2.411169 3.747466 4.195826 5.665892 5.441581 3.362975 4.407827 0.000000 5.156303 6.427564 7.467271 7.414286 6.312716 4.348188 6.751584 8.470552 8.376133 6.523493 2.184061 3.605993 4.041913 5.106687 2.596612 4.489667 4.612647 6.100614 5.881637 4.408735 5.461446 1.118166 0.000000 6.643544 7.857243 8.238298 7.492677 6.218327 6.512958 8.641741 9.270409 8.038019 5.752370 3.130753 2.391165 4.552923 5.744318 4.330168 3.483355 5.283222 6.555896 6.552248 1.199950 2.033081 3.300060 4.313310 0.000000 6.370917 7.719519 8.538530 8.169171 6.892342 5.781755 8.247748 9.602326 8.992010 6.775902 2.393159 3.137002 4.527198 5.906749 3.489599 4.339048 4.972957 6.302130 5.955031 3.299980 4.309956 1.200241 2.034589 2.968423 0.000000 3.698504 4.298774 4.555976 4.269461 3.662790 3.975521 4.953826 5.353315 4.895206 3.894373 5.250320 5.291909 3.433456 3.359289 4.333331 4.397866 2.396490 1.468867 2.191130 6.596784 6.661782 6.415716 6.634587 7.646592 7.223233 0.000000 4.720106 5.547916 5.469361 4.541268 3.517823 5.144202 6.490716 6.375286 4.870910 2.980554 4.797791 4.132081 3.178357 3.653086 4.443317 3.147559 2.309015 1.471668 2.191505 5.025011 4.727827 6.090369 6.716967 6.198745 6.606112 2.576178 0.000000 4.715962 5.307057 4.932767 3.840467 3.028746 5.368596 6.312140 5.744324 3.948406 2.377310 5.426350 4.627501 3.574203 3.603223 5.012004 3.455023 3.024633 2.396181 3.308387 5.454665 5.049962 6.828689 7.440160 6.648288 7.406891 2.997953 1.208385 0.000000 3.287470 3.543586 3.557892 3.328427 3.059444 3.844251 4.238739 4.259447 3.899216 3.470444 5.706512 5.672364 3.653718 3.048837 4.703119 4.626023 2.969240 2.396761 3.313767 6.983320 7.015775 6.982061 7.161232 8.046331 7.876964 1.208878 3.036453 2.976934 0.000000 4.377677 4.958649 5.445347 5.404232 4.861280 4.378828 5.381285 6.171193 6.092629 5.181138 5.771158 6.078452 4.278377 4.336723 4.814636 5.376265 3.181790 2.310418 2.449545 7.417119 7.585911 6.713777 6.789020 8.388578 7.508352 1.342952 3.662256 4.260042 2.240720 0.000000 5.672231 6.648667 6.642745 5.661682 4.507943 5.958870 7.593204 7.591169 5.970854 3.811491 4.736488 3.899245 3.665336 4.536471 4.723496 3.215479 2.873385 2.301328 2.450022 4.481963 4.060233 5.871429 6.654434 5.624126 6.150027 3.682858 1.337249 2.243076 4.321465 4.550064 0.000000 4.618755 4.859567 5.381262 5.651374 5.423244 4.622969 5.035111 5.911085 6.339327 5.946781 6.750528 7.184876 5.208042 4.926506 5.651896 6.450970 4.307674 3.625702 3.863057 8.588957 8.808867 7.655180 7.565291 9.530059 8.547657 2.340863 4.881245 5.266703 2.631987 1.415197 5.887902 0.000000 3.863904 3.978600 4.647338 5.134422 5.016580 3.840926 4.022374 5.150661 5.918371 5.709513 6.460884 7.001992 4.916733 4.426587 5.263303 6.281060 4.261520 3.980693 4.343792 8.461857 8.769938 7.368106 7.174538 9.350293 8.360066 2.649076 5.199854 5.485742 2.628549 2.080084 6.272126 1.100473 0.000000 5.446493 5.740704 6.380080 6.709130 6.431945 5.276354 5.795973 6.893062 7.424819 6.943044 7.253816 7.818461 5.948823 5.823092 6.192523 7.208989 5.003851 4.325422 4.312085 9.214046 9.487443 7.990515 7.823748 10.100930 8.837027 3.232748 5.670358 6.186421 3.699901 2.018480 6.541427 1.095587 1.800088 0.000000 5.140741 5.167547 5.431655 5.660694 5.622028 5.339392 5.373132 5.818695 6.190785 6.109707 7.554807 7.833660 5.825385 5.375975 6.465672 6.971421 4.924417 4.020294 4.403048 9.200240 9.313205 8.561925 8.531340 10.205169 9.447783 2.657640 5.065027 5.258364 2.640342 2.080536 6.160929 1.099805 1.783423 1.800276 0.000000 6.461470 7.376961 7.185146 6.023245 4.906337 6.859536 8.394930 8.097915 6.139988 3.978594 5.329150 4.158648 4.403236 5.193448 5.525992 3.504272 3.947244 3.614421 3.865586 4.319355 3.578111 6.471958 7.374420 5.450019 6.620379 4.898174 2.337081 2.643260 5.328488 5.886112 1.417538 7.175905 7.509089 7.890694 7.362676 0.000000 6.967673 7.730100 7.365401 6.144488 5.207393 7.481905 8.762891 8.184749 6.087074 4.251917 6.320023 5.149833 5.160524 5.711667 6.404289 4.355751 4.649808 4.037312 4.407816 5.320596 4.511764 7.519932 8.391273 6.453638 7.709062 5.150527 2.640581 2.586646 5.450921 6.182215 2.083434 7.394069 7.788382 8.150212 7.418904 1.099247 0.000000 7.288978 8.293931 8.188320 7.051319 5.877072 7.577961 9.291112 9.129678 7.201719 4.961767 5.584815 4.415187 5.052643 6.038392 5.977690 4.058488 4.593392 4.313369 4.314739 4.302273 3.510925 6.536956 7.511492 5.315778 6.487385 5.697223 3.227381 3.707724 6.259737 6.549941 2.019129 7.901175 8.283670 8.521776 8.152468 1.095727 1.801072 0.000000 6.007848 6.915097 6.686595 5.476281 4.327299 6.457423 7.962435 7.611676 5.587596 3.328492 4.853647 3.529915 3.956091 4.681834 5.112714 2.823335 3.835402 3.919593 4.321434 3.607985 2.814491 6.070895 6.987373 4.755649 6.269528 5.114860 2.645301 2.702412 5.384815 6.214506 2.065676 7.445431 7.623250 8.231886 7.669489 1.100232 1.793866 1.802118 0.000000 C14H15BN3O6(2) 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 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.3244,-2.3445,-.2083;-2.4517,-2.8898,-.7926;-2.9451,-2.3213,-1.9673;-2.2873,-1.2298,-2.5215;-1.1629,-.7269,-1.8875;-.8723,-2.7274,.7081;-2.9367,-3.7479,-.3273;-3.8396,-2.7277,-2.4431;-2.645,-.7468,-3.4303;-.6161,.1442,-2.2465;2.4498,-1.1844,.7985;2.6119,-.1981,-.3311;.4893,-.6286,.0004;-.7015,-1.2849,-.7566;1.2209,-1.5235,.9583;1.4828,.1095,-.8585;-.0636,.3112,.7369;-1.0506,1.6354,1.0187;-.5616,1.9561,1.9392;3.8855,.3017,-.9381;3.7376,1.2165,-1.5644;3.4912,-1.6706,1.7571;3.1635,-2.5796,2.3197;4.9478,-.2476,-.8398;4.537,-1.1206,1.9675;-2.3379,.9411,1.1545;-.6562,2.328,-.2185;-1.1996,2.243,-1.2944;-2.9919,.4489,.2648;-2.6905,.8562,2.4475;.4584,3.0366,-.0088;-3.8826,.145,2.7228;-3.8103,-.895,2.3704;-4.0093,.166,3.8108;-4.7459,.6169,2.2312;1.0786,3.577,-1.1633;.3917,4.2398,-1.7084;1.9481,4.1409,-.8076;1.3988,2.7601,-1.8271; 0.3084572 0.1754800 0.1579995 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= 433 433 433 433 433 MxSgAt= 39 MxSgA2= 39. 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 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= 433 433 433 433 433 MxSgAt= 39 MxSgA2= 39. 1 0.7685 Using compressed storage, NAtomX= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111 Direct CPHF calculation. 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. 11770 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 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=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 117 IRICut= 1 DoRegI=T DoRafI=F 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= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 114 vectors produced by pass 0 Test12= 5.61D-14 1.00D-09 XBig12= 2.56D-01 1.14D-01. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 5.61D-14 1.00D-09 XBig12= 3.18D-02 2.63D-02. 114 vectors produced by pass 2 Test12= 5.61D-14 1.00D-09 XBig12= 1.38D-03 5.87D-03. 114 vectors produced by pass 3 Test12= 5.61D-14 1.00D-09 XBig12= 3.29D-05 1.02D-03. 114 vectors produced by pass 4 Test12= 5.61D-14 1.00D-09 XBig12= 5.54D-07 1.02D-04. 114 vectors produced by pass 5 Test12= 5.61D-14 1.00D-09 XBig12= 7.95D-09 1.46D-05. 114 vectors produced by pass 6 Test12= 5.61D-14 1.00D-09 XBig12= 8.62D-11 1.11D-06. 92 vectors produced by pass 7 Test12= 5.61D-14 1.00D-09 XBig12= 8.16D-13 7.84D-08. 29 vectors produced by pass 8 Test12= 5.61D-14 1.00D-09 XBig12= 7.46D-15 6.51D-09. 4 vectors produced by pass 9 Test12= 5.61D-14 1.00D-09 XBig12= 6.46D-16 1.57D-09. 3 vectors produced by pass 10 Test12= 5.61D-14 1.00D-09 XBig12= 1.42D-15 1.72D-09. InvSVY: IOpt=1 It= 1 EMax= 6.66D-16 Solved reduced A of dimension 926 with 120 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 282.773 9.263 200.565 23.703 -17.859 204.469 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 C C C C C H H H H H C C B N N N H C H C H C H O O C C O O O O C H H H C H H H 13 13 13 13 13 1 1 1 1 1 13 13 11 14 14 14 1 13 1 13 1 13 1 17 17 13 13 17 17 17 17 13 1 1 1 13 1 1 1 0.00701 -0.00481 0.00622 -0.00519 0.00762 -0.00053 0.00022 -0.00049 0.00024 -0.00056 0.02162 0.01514 0.08143 -0.02656 -0.00824 -0.00976 -0.01024 0.17928 -0.00786 -0.00912 0.00012 -0.00875 -0.00011 0.01045 0.01219 -0.03108 -0.03198 0.01998 0.02306 0.00667 -0.00159 -0.00061 0.00060 0.00002 0.00057 -0.00113 0.00041 0.00001 0.00065 7.87641 -5.40538 6.99143 -5.83962 8.56944 -2.37407 0.99051 -2.17122 1.06518 -2.48468 24.30636 17.02263 116.80496 -8.58059 -2.66224 -3.15406 -45.78380 201.54088 -35.11538 -10.25398 0.53894 -9.84165 -0.48989 -6.33701 -7.38788 -34.93608 -35.94628 -12.10959 -13.97813 -4.04586 0.96107 -0.68058 2.68508 0.08382 2.53082 -1.27417 1.85248 0.06079 2.91215 2.81050 -1.92877 2.49472 -2.08372 3.05779 -0.84713 0.35344 -0.77474 0.38008 -0.88660 8.67311 6.07410 41.67891 -3.06177 -0.94995 -1.12545 -16.33680 71.91480 -12.53004 -3.65888 0.19231 -3.51175 -0.17481 -2.26120 -2.63618 -12.46606 -12.82653 -4.32100 -4.98774 -1.44366 0.34293 -0.24285 0.95810 0.02991 0.90306 -0.45466 0.66101 0.02169 1.03913 2.62729 -1.80304 2.33209 -1.94789 2.85846 -0.79190 0.33040 -0.72424 0.35530 -0.82880 8.10773 5.67814 38.96194 -2.86218 -0.88803 -1.05208 -15.27183 67.22680 -11.71323 -3.42036 0.17977 -3.28282 -0.16341 -2.11380 -2.46433 -11.65342 -11.99039 -4.03932 -4.66260 -1.34955 0.32058 -0.22702 0.89565 0.02796 0.84419 -0.42502 0.61792 0.02028 0.97139 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 -0.002137 0.001786 -0.002907 0.001787 -0.005978 -0.001809 0.000263 0.001808 0.000265 -0.002430 -0.068485 -0.057451 -0.042916 -0.002609 0.020913 0.007215 -0.014079 -0.060259 -0.009487 0.009026 0.001016 0.009478 -0.000547 -0.049520 0.005985 0.003821 -0.005971 -0.034955 -0.003351 -0.025931 -0.007958 0.000334 0.000579 0.000302 0.002322 0.000068 -0.000824 0.000283 0.000026 0.007476 -0.001695 0.004050 -0.002518 0.007346 0.002450 0.000233 -0.000834 -0.000461 -0.000519 0.053548 0.048664 0.050318 -0.001017 -0.053538 0.011830 0.041920 0.320778 -0.007438 -0.005158 -0.000542 -0.001288 -0.000213 0.002223 0.035075 -0.000649 -0.001971 0.129289 0.131621 0.057427 0.033777 -0.000182 -0.000348 -0.001038 -0.001687 0.001085 0.000879 0.000639 -0.000390 -0.005339 -0.000091 -0.001142 0.000731 -0.001368 -0.000641 -0.000497 -0.000974 0.000196 0.002949 0.014937 0.008787 -0.007402 0.003626 0.032624 -0.019045 -0.027842 -0.260520 0.016926 -0.003868 -0.000474 -0.008191 0.000760 0.047297 -0.041060 -0.003172 0.007941 -0.094334 -0.128270 -0.031496 -0.025819 -0.000152 -0.000231 0.000736 -0.000635 -0.001153 -0.000055 -0.000923 0.000364 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 -0.018833 0.009718 -0.016065 0.010187 -0.018793 0.000783 0.000700 0.001111 0.001084 0.000352 -0.018983 -0.000662 -0.077210 0.017874 0.050613 0.042176 -0.058291 -0.380780 -0.003033 -0.004400 0.001003 0.002829 -0.001223 0.021167 -0.083692 0.013679 0.003027 -0.144058 -0.181824 -0.027246 -0.030660 0.001331 0.001482 0.000479 0.000331 0.000681 0.001048 0.001329 0.000822 -0.015185 0.008471 -0.013947 0.008841 -0.013952 0.000344 0.000916 0.001484 0.000887 -0.000474 -0.010237 -0.004706 -0.058999 0.014615 0.037154 0.045555 -0.025953 -0.086797 0.028850 -0.005353 -0.002075 0.008201 0.001539 0.028796 -0.047655 -0.000906 0.001446 -0.038737 0.019038 0.000517 -0.011610 -0.002335 -0.001703 -0.001792 -0.001570 -0.001454 -0.000684 -0.000857 -0.001707 0.020857 -0.008383 0.020221 -0.008393 0.023890 -0.001325 0.000343 0.002020 0.000921 0.000446 0.100925 0.086695 0.105432 -0.022328 -0.035890 -0.024488 0.043193 0.142339 0.024160 -0.011001 -0.001278 -0.011602 -0.001994 0.081348 0.059403 0.002579 -0.008224 0.072340 -0.023119 -0.022526 0.009760 -0.001408 -0.000931 -0.000476 -0.000017 -0.000896 -0.001904 -0.000939 -0.001418 0.1824 -0.5003 0.8464 0.8346 0.5339 0.1358 -0.5199 0.6816 0.515 -0.0209 -0.0167 0.0376 -2.81 -2.235 5.045 -1.003 -0.798 1.8 -0.937 -0.746 1.683 1 C 13 -0.5498 0.622 0.5575 0.0644 -0.6339 0.7707 0.8328 0.4596 0.3084 -0.0178 0.0075 0.0103 -2.388 1.008 1.38 -0.852 0.36 0.493 -0.797 0.336 0.46 2 C 13 -0.0285 -0.6714 0.7406 0.8664 0.3529 0.3534 -0.4986 0.6517 0.5716 -0.0189 -0.0151 0.0341 -2.541 -2.032 4.573 -0.907 -0.725 1.632 -0.848 -0.678 1.525 3 C 13 -0.5548 0.6372 0.535 -0.0698 -0.6764 0.7332 0.829 0.3695 0.4197 -0.0184 0.0076 0.0108 -2.474 1.024 1.45 -0.883 0.365 0.517 -0.825 0.342 0.484 4 C 13 0.277 0.7112 -0.6461 0.8444 0.1408 0.5169 -0.4586 0.6888 0.5615 -0.0217 -0.0177 0.0393 -2.909 -2.369 5.278 -1.038 -0.845 1.883 -0.97 -0.79 1.761 5 C 13 0.8712 -0.2641 -0.4139 0.4739 0.2314 0.8496 0.1286 0.9363 -0.3268 -0.0022 -8.0E-4 0.003 -1.179 -0.432 1.611 -0.421 -0.154 0.575 -0.393 -0.144 0.537 6 H 1 -0.5837 0.0975 0.8061 -0.4051 0.8254 -0.3932 0.7037 0.5561 0.4423 -0.0011 -3.0E-4 0.0014 -0.597 -0.146 0.743 -0.213 -0.052 0.265 -0.199 -0.049 0.248 7 H 1 -0.0751 -0.668 0.7403 0.6329 -0.6057 -0.4823 0.7706 0.4324 0.4682 -0.0029 -4.0E-4 0.0033 -1.572 -0.206 1.778 -0.561 -0.073 0.635 -0.525 -0.069 0.593 8 H 1 -0.4422 0.8569 -0.2648 -0.6356 -0.0911 0.7666 0.6328 0.5073 0.585 -0.0013 -6.0E-4 0.002 -0.696 -0.346 1.042 -0.248 -0.124 0.372 -0.232 -0.115 0.348 9 H 1 0.9764 -0.1915 0.0998 0.2012 0.9746 -0.0987 -0.0784 0.1164 0.9901 -0.0025 -5.0E-4 0.003 -1.359 -0.263 1.622 -0.485 -0.094 0.579 -0.453 -0.088 0.541 10 H 1 0.7855 0.4519 -0.4229 0.6106 -0.4538 0.6491 -0.1014 0.768 0.6324 -0.0739 -0.0653 0.1392 -9.916 -8.757 18.673 -3.538 -3.125 6.663 -3.308 -2.921 6.229 11 C 13 0.5551 -0.5097 0.6573 0.8315 0.3588 -0.424 -0.0197 0.782 0.623 -0.0624 -0.0553 0.1178 -8.376 -7.426 15.801 -2.989 -2.65 5.638 -2.794 -2.477 5.271 12 C 13 0.0378 -0.5928 0.8045 0.912 0.3495 0.2147 -0.4084 0.7256 0.5538 -0.0879 -0.0864 0.1742 -15.042 -14.792 29.834 -5.367 -5.278 10.645 -5.018 -4.934 9.952 13 B 11 -0.5601 0.6222 0.547 0.825 0.3585 0.4369 -0.0757 -0.696 0.7141 -0.0367 0.0129 0.0238 -1.417 0.498 0.919 -0.506 0.178 0.328 -0.473 0.166 0.307 14 N 14 -0.4588 0.8145 0.3551 -0.5511 -0.5743 0.6053 0.697 0.082 0.7124 -0.0977 0.0329 0.0648 -3.768 1.267 2.501 -1.344 0.452 0.892 -1.257 0.423 0.834 15 N 14 -0.5903 0.4631 0.6611 0.2568 -0.6686 0.6978 0.7652 0.5817 0.2758 -0.0769 0.0212 0.0557 -2.965 0.817 2.148 -1.058 0.292 0.767 -0.989 0.273 0.717 16 N 14 0.7532 0.5988 -0.2723 0.4361 -0.1446 0.8882 -0.4925 0.7877 0.37 -0.051 -0.0476 0.0987 -27.232 -25.405 52.637 -9.717 -9.065 18.782 -9.084 -8.474 17.558 17 H 1 0.7647 0.5498 -0.336 0.3865 0.026 0.9219 -0.5156 0.8349 0.1926 -0.2959 -0.2929 0.5888 -39.703 -39.304 79.007 -14.167 -14.025 28.192 -13.244 -13.11 26.354 18 C 13 0.6387 0.5191 -0.5679 -0.6368 0.771 -0.0115 0.4319 0.369 0.823 -0.0376 -0.0053 0.0429 -20.064 -2.824 22.888 -7.159 -1.008 8.167 -6.693 -0.942 7.635 19 H 1 0.2526 0.6975 0.6706 -0.1779 0.7147 -0.6764 0.9511 -0.0516 -0.3046 -0.0173 0.0063 0.011 -2.325 0.852 1.473 -0.83 0.304 0.526 -0.776 0.284 0.491 20 C 13 0.413 0.3969 0.8197 -0.5436 0.8296 -0.1277 0.7307 0.3928 -0.5584 -0.0021 -0.001 0.0031 -1.141 -0.535 1.676 -0.407 -0.191 0.598 -0.381 -0.178 0.559 21 H 1 -0.2788 0.5518 0.786 0.3877 0.8135 -0.4335 0.8786 -0.1839 0.4407 -0.0192 0.0062 0.013 -2.582 0.838 1.744 -0.921 0.299 0.622 -0.861 0.279 0.582 22 C 13 0.0379 0.7969 0.6029 0.8908 0.2464 -0.3817 0.4527 -0.5515 0.7006 -0.0018 -0.0015 0.0033 -0.949 -0.824 1.773 -0.339 -0.294 0.633 -0.317 -0.275 0.592 23 H 1 0.2118 0.7499 -0.6267 0.9545 -0.2965 -0.0322 0.21 0.5913 0.7786 -0.0598 -0.0571 0.1168 4.326 4.129 -8.455 1.543 1.473 -3.017 1.443 1.377 -2.82 24 O 17 0.1161 -0.4056 0.9066 0.7992 0.5801 0.1572 -0.5897 0.7064 0.3915 -0.0737 -0.0641 0.1379 5.336 4.641 -9.976 1.904 1.656 -3.56 1.78 1.548 -3.328 25 O 17 -0.6197 0.7427 -0.2535 -0.2043 0.1592 0.9659 0.7578 0.6504 0.053 -0.0129 -0.0026 0.0155 -1.737 -0.343 2.08 -0.62 -0.122 0.742 -0.579 -0.114 0.694 26 C 13 0.6724 -0.6478 -0.358 0.7401 0.5801 0.3403 -0.0128 -0.4937 0.8695 -0.0097 -0.0029 0.0126 -1.296 -0.394 1.689 -0.462 -0.14 0.603 -0.432 -0.131 0.564 27 C 13 0.7096 0.5409 -0.4515 0.5105 0.0471 0.8586 -0.4857 0.8398 0.2427 -0.1201 -0.1134 0.2335 8.691 8.205 -16.896 3.101 2.928 -6.029 2.899 2.737 -5.636 28 O 17 -0.5671 -0.324 0.7572 0.5948 0.4748 0.6486 -0.5697 0.8183 -0.0766 -0.1326 -0.1277 0.2604 9.598 9.243 -18.84 3.425 3.298 -6.723 3.201 3.083 -6.284 29 O 17 0.5711 0.3301 0.7515 0.776 0.0814 -0.6255 -0.2677 0.9404 -0.2097 -0.041 -0.0292 0.0702 2.967 2.113 -5.08 1.059 0.754 -1.813 0.99 0.705 -1.694 30 O 17 0.5697 0.145 0.809 0.6729 0.4828 -0.5604 -0.4718 0.8636 0.1775 -0.0322 -0.0203 0.0525 2.333 1.468 -3.801 0.833 0.524 -1.356 0.778 0.49 -1.268 31 O 17 0.6282 0.1176 0.7691 -0.431 0.8756 0.2181 0.6477 0.4685 -0.6008 -0.0023 -0.0012 0.0035 -0.305 -0.159 0.465 -0.109 -0.057 0.166 -0.102 -0.053 0.155 32 C 13 0.7064 -0.3726 0.6018 -0.0898 0.7962 0.5983 0.7021 0.4767 -0.529 -0.0017 -0.0012 0.0029 -0.882 -0.648 1.53 -0.315 -0.231 0.546 -0.294 -0.216 0.511 33 H 1 0.7497 -0.3003 0.5898 0.1085 0.9349 0.338 -0.6529 -0.1894 0.7334 -0.0013 -0.0012 0.0025 -0.693 -0.616 1.309 -0.247 -0.22 0.467 -0.231 -0.205 0.437 34 H 1 -0.1621 0.9628 -0.2161 0.3651 0.262 0.8933 0.9167 0.0659 -0.394 -0.0017 -0.0013 0.003 -0.928 -0.684 1.612 -0.331 -0.244 0.575 -0.309 -0.228 0.538 35 H 1 0.5137 0.1262 0.8487 -0.6653 0.6832 0.3011 0.5418 0.7193 -0.4349 -0.0022 0.0 0.0021 -0.291 0.004 0.287 -0.104 0.001 0.102 -0.097 0.001 0.096 36 C 13 -0.2853 0.6598 0.6952 0.9015 -0.0616 0.4284 0.3255 0.7489 -0.5772 -0.0016 -0.0012 0.0028 -0.843 -0.651 1.495 -0.301 -0.232 0.533 -0.281 -0.217 0.499 37 H 1 0.2752 0.2456 0.9295 0.739 -0.6725 -0.0411 0.615 0.6982 -0.3665 -0.0014 -9.0E-4 0.0023 -0.76 -0.469 1.229 -0.271 -0.167 0.438 -0.254 -0.156 0.41 38 H 1 -3.32338872e+00 -9.74524671e-01 -6.73136960e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 6 6 6 6 6 1 1 1 1 1 6 6 5 7 7 7 1 6 1 6 1 6 1 8 8 6 6 8 8 8 8 6 1 1 1 6 1 1 1 -0.000001470 -0.000002644 0.000002615 0.000000222 0.000000831 0.000002061 -0.000000662 -0.000006524 0.000008189 0.000003025 0.000001685 0.000001124 -0.000011018 -0.000000102 -0.000013921 -0.000000304 0.000001201 0.000000724 0.000001187 -0.000001283 0.000004171 -0.000000122 -0.000002940 0.000004735 -0.000002103 -0.000004527 0.000001681 0.000005136 -0.000005761 0.000000714 0.000004717 0.000003817 -0.000000445 0.000004626 -0.000001941 0.000007894 -0.000005191 0.000008550 -0.000002320 0.000017593 -0.000007496 0.000021629 -0.000002489 -0.000004035 0.000008347 -0.000010051 0.000002616 -0.000014720 -0.006985115 0.010389416 0.002546115 0.006977959 -0.010399847 -0.002557513 0.000001917 0.000004043 -0.000002433 -0.000005218 -0.000003179 -0.000002739 -0.000003865 -0.000000784 -0.000003872 -0.000000072 0.000005094 -0.000002300 -0.000000033 0.000003335 0.000001451 0.000004933 0.000002906 -0.000001277 0.000002860 0.000000829 -0.000000530 0.000004671 -0.000004022 0.000023212 -0.000008265 0.000007925 -0.000018149 0.000007991 0.000005250 0.000010419 -0.000002103 0.000001516 0.000001964 0.000001587 -0.000000375 -0.000009273 -0.000000798 0.000000017 -0.000006082 0.000000048 -0.000000398 0.000003041 0.000001250 0.000003751 0.000001423 0.000002015 0.000003580 0.000000613 0.000000146 0.000002012 -0.000000026 0.000001921 -0.000001228 -0.000000389 -0.000001948 -0.000001419 -0.000005534 -0.000001415 0.000000110 -0.000006724 -0.000001563 0.000000020 -0.000003875 0.010399847 0.001670784 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7643 0.7638 0.7637 0.7637 0.7637 0.7630 0.7627 0.7634 0.7636 0.7636 0.7636 0.7636 open 1 1 1 -1181.67764023747 -1181.67764144591 -0.000001208443 -1181.67764154448 -0.000000098570 -1181.67764154850 -0.000000004020 -1181.67764155136 -0.000000002856 -1181.67764155147 -0.000000000114 -1181.67764155150 -0.000000000025 -1181.67764155 7 0.7636 1.171060853819e+03 -6.927701864507e+03 2.490178017225e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572474848 LenY= 1572285182 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7636 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 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 C C C C C H H H H H C C B N N N H C H C H C H O O C C O O O O C H H H C H H H 13 13 13 13 13 1 1 1 1 1 13 13 11 14 14 14 1 13 1 13 1 13 1 17 17 13 13 17 17 17 17 13 1 1 1 13 1 1 1 0.00491 -0.00331 0.00426 -0.00364 0.00562 -0.00037 0.00015 -0.00033 0.00017 -0.00041 0.01552 0.01040 0.08235 -0.01982 -0.00062 -0.00521 -0.00185 0.18503 -0.00929 -0.00597 0.00011 -0.00533 -0.00010 0.00657 0.00785 -0.03729 -0.03762 0.02476 0.02817 0.00553 -0.00160 -0.00100 0.00074 0.00002 0.00070 -0.00135 0.00051 0.00002 0.00080 5.51550 -3.72513 4.78480 -4.09428 6.32165 -1.66583 0.68398 -1.47273 0.75142 -1.83891 17.44836 11.68983 118.12216 -6.40448 -0.20156 -1.68270 -8.28389 208.00654 -41.50539 -6.70914 0.51033 -5.98685 -0.44862 -3.98084 -4.76076 -41.91853 -42.29545 -15.00655 -17.07400 -3.35381 0.97253 -1.12113 3.28625 0.08715 3.13639 -1.51461 2.27703 0.07928 3.56555 1.96807 -1.32922 1.70734 -1.46094 2.25572 -0.59441 0.24406 -0.52551 0.26813 -0.65617 6.22601 4.17122 42.14892 -2.28528 -0.07192 -0.60043 -2.95590 74.22191 -14.81015 -2.39399 0.18210 -2.13626 -0.16008 -1.42046 -1.69876 -14.95757 -15.09207 -5.35471 -6.09243 -1.19672 0.34702 -0.40005 1.17262 0.03110 1.11914 -0.54045 0.81250 0.02829 1.27228 1.83977 -1.24257 1.59604 -1.36570 2.10868 -0.55566 0.22815 -0.49125 0.25065 -0.61339 5.82015 3.89931 39.40131 -2.13630 -0.06723 -0.56129 -2.76321 69.38351 -13.84471 -2.23793 0.17023 -1.99700 -0.14964 -1.32786 -1.58802 -13.98251 -14.10824 -5.00565 -5.69527 -1.11871 0.32440 -0.37397 1.09618 0.02907 1.04619 -0.50522 0.75954 0.02645 1.18934 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 0.000233 -0.000298 0.000022 -0.000519 -0.003046 -0.001948 -0.000088 0.000967 -0.000196 -0.002776 -0.046353 -0.036609 -0.029234 -0.005627 0.024927 0.015708 -0.006580 -0.027693 -0.013029 0.005537 0.001069 0.007122 -0.000182 -0.028618 0.008440 0.005730 -0.007714 -0.026068 0.014627 -0.023421 -0.007054 0.000170 0.000406 0.000310 0.002608 0.000400 -0.000848 0.000527 0.000421 0.004930 0.000214 0.001472 -0.000863 0.004907 0.003047 0.000617 -0.000381 -0.000379 -0.000418 0.031696 0.029326 0.033943 0.002099 -0.042140 0.003780 0.035736 0.346427 -0.010552 -0.003014 -0.000598 0.000086 -0.000041 -0.006620 0.021275 -0.003600 -0.004602 0.148357 0.144768 0.063554 0.039757 0.000217 0.000044 -0.001009 -0.001851 0.000994 0.000901 0.000502 -0.000731 -0.005163 0.000084 -0.001494 0.001382 -0.001861 -0.001099 -0.000530 -0.000586 0.000575 0.003194 0.014657 0.007284 -0.004710 0.003528 0.017212 -0.019487 -0.029157 -0.318735 0.023581 -0.002522 -0.000471 -0.007208 0.000223 0.035238 -0.029715 -0.002130 0.012316 -0.122289 -0.159395 -0.040133 -0.032703 -0.000387 -0.000450 0.000698 -0.000757 -0.001395 -0.000054 -0.001029 0.000310 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 -0.013806 0.007358 -0.011251 0.007664 -0.014881 0.000495 0.000675 0.000986 0.000892 -0.000071 -0.007046 0.004726 -0.068863 0.012286 0.034116 0.032002 -0.059640 -0.476980 -0.005090 -0.003840 0.000621 0.000650 -0.001164 0.014365 -0.055310 0.017529 0.007272 -0.189306 -0.231050 -0.039889 -0.038728 0.001462 0.001936 0.000784 0.000798 0.000886 0.001392 0.001631 0.001082 -0.011198 0.006363 -0.010073 0.006770 -0.010506 0.000238 0.000687 0.001168 0.000835 -0.000876 -0.001450 0.000734 -0.055140 0.010460 0.033738 0.033034 -0.024875 -0.099673 0.032771 -0.004950 -0.001693 0.005456 0.001149 0.023352 -0.031022 0.000216 0.002102 -0.046744 0.016958 0.000243 -0.013008 -0.002351 -0.001685 -0.001951 -0.001704 -0.001683 -0.000848 -0.000946 -0.002072 0.014140 -0.004907 0.013112 -0.004546 0.017178 -0.000917 0.000431 0.001730 0.001119 0.001276 0.068890 0.057430 0.086858 -0.013076 -0.038458 -0.026140 0.037300 0.148930 0.028284 -0.007068 -0.000800 -0.007629 -0.001436 0.048199 0.037486 0.003633 -0.011617 0.078103 -0.017534 -0.019552 0.009915 -0.001673 -0.001197 -0.000799 -0.000219 -0.000911 -0.002106 -0.000932 -0.001284 0.2206 -0.4515 0.8646 0.8013 0.5893 0.1033 -0.5561 0.67 0.4917 -0.0154 -0.0114 0.0268 -2.067 -1.525 3.592 -0.738 -0.544 1.282 -0.689 -0.509 1.198 1 C 13 0.6233 -0.5684 -0.5371 0.1661 -0.5749 0.8011 0.7642 0.5886 0.2639 -0.0125 0.0049 0.0076 -1.676 0.661 1.015 -0.598 0.236 0.362 -0.559 0.22 0.339 2 C 13 0.0037 -0.6646 0.7472 0.8365 0.4114 0.3619 -0.5479 0.6237 0.5575 -0.0132 -0.0099 0.0231 -1.772 -1.324 3.097 -0.632 -0.473 1.105 -0.591 -0.442 1.033 3 C 13 0.6375 -0.593 -0.4919 -0.103 -0.6983 0.7084 0.7636 0.4009 0.5062 -0.0129 0.0049 0.008 -1.727 0.655 1.073 -0.616 0.234 0.383 -0.576 0.218 0.358 4 C 13 0.308 0.7178 -0.6245 0.8152 0.1394 0.5622 -0.4906 0.6822 0.5422 -0.0164 -0.0128 0.0293 -2.204 -1.722 3.926 -0.786 -0.615 1.401 -0.735 -0.575 1.31 5 C 13 0.9242 -0.1508 -0.3508 0.3726 0.1556 0.9149 0.0834 0.9762 -0.2 -0.0021 -0.0012 0.0033 -1.131 -0.618 1.749 -0.404 -0.22 0.624 -0.377 -0.206 0.583 6 H 1 -0.6067 0.041 0.7938 -0.5805 0.6594 -0.4777 0.5431 0.7506 0.3763 -0.001 -3.0E-4 0.0013 -0.551 -0.154 0.705 -0.197 -0.055 0.252 -0.184 -0.051 0.235 7 H 1 -0.0685 -0.6622 0.7462 0.7354 -0.5389 -0.4108 0.6741 0.5206 0.5239 -0.0022 -4.0E-4 0.0026 -1.189 -0.217 1.406 -0.424 -0.078 0.502 -0.397 -0.072 0.469 8 H 1 -0.4621 0.8355 -0.2972 0.7427 0.1815 -0.6445 0.4845 0.5186 0.7045 -0.0013 -7.0E-4 0.002 -0.678 -0.375 1.053 -0.242 -0.134 0.376 -0.226 -0.125 0.351 9 H 1 0.9871 -0.0499 0.1522 0.0921 0.9543 -0.2843 -0.131 0.2947 0.9466 -0.0029 -8.0E-4 0.0037 -1.552 -0.43 1.981 -0.554 -0.153 0.707 -0.518 -0.143 0.661 10 H 1 0.7256 0.4791 -0.494 0.6867 -0.4573 0.5651 -0.0448 0.7493 0.6608 -0.05 -0.0429 0.0929 -6.712 -5.75 12.462 -2.395 -2.052 4.447 -2.239 -1.918 4.157 11 C 13 0.4618 -0.5773 0.6734 0.8863 0.2693 -0.3769 0.0362 0.7708 0.636 -0.0414 -0.0355 0.0769 -5.562 -4.762 10.324 -1.985 -1.699 3.684 -1.855 -1.588 3.444 12 C 13 -0.0469 -0.6429 0.7645 0.8936 0.315 0.3197 -0.4464 0.6982 0.5597 -0.0744 -0.0732 0.1476 -12.733 -12.54 25.272 -4.543 -4.474 9.018 -4.247 -4.183 8.43 13 B 11 0.6548 -0.5583 -0.5095 0.7524 0.4168 0.5102 0.0725 0.7174 -0.6929 -0.0242 0.0083 0.016 -0.935 0.319 0.616 -0.334 0.114 0.22 -0.312 0.106 0.205 14 N 14 -0.4006 0.798 0.4503 0.5335 0.6026 -0.5935 0.7449 -0.0025 0.6671 -0.081 0.0259 0.055 -3.123 1.0 2.122 -1.114 0.357 0.757 -1.042 0.334 0.708 15 N 14 -0.5025 0.5147 0.6947 -0.2445 0.6861 -0.6852 0.8293 0.5142 0.2189 -0.0627 0.0185 0.0443 -2.42 0.713 1.707 -0.864 0.254 0.609 -0.807 0.238 0.569 16 N 14 0.7223 0.6318 -0.2813 0.4322 -0.0949 0.8968 -0.5399 0.7693 0.3416 -0.0491 -0.0451 0.0942 -26.174 -24.06 50.234 -9.34 -8.585 17.925 -8.731 -8.025 16.756 17 H 1 0.7171 0.573 -0.3968 0.422 0.0963 0.9015 -0.5547 0.8139 0.1727 -0.3537 -0.3495 0.7031 -47.458 -46.897 94.355 -16.934 -16.734 33.668 -15.83 -15.643 31.473 18 C 13 0.6459 0.5433 -0.5364 -0.6483 0.7613 -0.0095 0.4032 0.3539 0.8439 -0.0445 -0.0066 0.0511 -23.757 -3.506 27.264 -8.477 -1.251 9.728 -7.925 -1.17 9.094 19 H 1 0.3335 0.6653 0.6679 -0.208 0.7429 -0.6362 0.9195 -0.0733 -0.3862 -0.012 0.0041 0.0079 -1.615 0.552 1.063 -0.576 0.197 0.379 -0.539 0.184 0.355 20 C 13 0.4264 0.363 0.8285 -0.4441 0.8819 -0.1579 0.788 0.3007 -0.5373 -0.0017 -8.0E-4 0.0025 -0.903 -0.409 1.313 -0.322 -0.146 0.468 -0.301 -0.137 0.438 21 H 1 -0.24 0.491 0.8375 0.4286 0.8276 -0.3624 0.871 -0.2719 0.4091 -0.0132 0.0038 0.0095 -1.777 0.505 1.272 -0.634 0.18 0.454 -0.593 0.168 0.424 22 C 13 0.2893 0.8063 0.5159 0.8054 0.0863 -0.5865 0.5174 -0.5852 0.6244 -0.0014 -0.0011 0.0025 -0.735 -0.61 1.345 -0.262 -0.218 0.48 -0.245 -0.204 0.449 23 H 1 0.2803 0.7603 -0.586 0.9247 -0.3777 -0.0477 0.2576 0.5285 0.8089 -0.0385 -0.0357 0.0742 2.784 2.583 -5.366 0.993 0.922 -1.915 0.929 0.861 -1.79 24 O 17 0.1101 -0.3956 0.9118 0.7827 0.5999 0.1658 -0.6126 0.6954 0.3757 -0.0497 -0.0405 0.0903 3.598 2.932 -6.531 1.284 1.046 -2.33 1.2 0.978 -2.178 25 O 17 -0.5907 0.7873 -0.177 -0.1956 0.0731 0.978 0.7829 0.6123 0.1108 -0.0176 -0.0019 0.0195 -2.357 -0.255 2.613 -0.841 -0.091 0.932 -0.786 -0.085 0.871 26 C 13 -0.6396 0.6966 0.3252 0.7665 0.5454 0.3393 -0.059 -0.4662 0.8827 -0.0167 -0.0016 0.0183 -2.241 -0.216 2.457 -0.8 -0.077 0.877 -0.748 -0.072 0.82 27 C 13 0.7242 0.5657 -0.3944 0.4466 0.051 0.8933 -0.5254 0.8231 0.2157 -0.1485 -0.1412 0.2897 10.743 10.217 -20.96 3.833 3.646 -7.479 3.584 3.408 -6.992 28 O 17 -0.5722 -0.3879 0.7226 0.5556 0.4646 0.6895 -0.6032 0.796 -0.0504 -0.1634 -0.1575 0.321 11.824 11.4 -23.224 4.219 4.068 -8.287 3.944 3.803 -7.747 29 O 17 0.5186 0.3242 0.7912 0.7798 0.2003 -0.5932 -0.3507 0.9246 -0.1489 -0.048 -0.0339 0.0818 3.472 2.449 -5.922 1.239 0.874 -2.113 1.158 0.817 -1.975 30 O 17 0.5252 0.1527 0.8372 0.6924 0.4952 -0.5247 -0.4947 0.8552 0.1543 -0.0391 -0.0249 0.0639 2.826 1.801 -4.627 1.008 0.643 -1.651 0.943 0.601 -1.544 31 O 17 0.5987 0.1599 0.7849 -0.5155 0.8268 0.2248 0.613 0.5392 -0.5774 -0.0025 -0.0011 0.0037 -0.338 -0.154 0.493 -0.121 -0.055 0.176 -0.113 -0.051 0.164 32 C 13 0.7418 -0.4222 0.5211 -0.095 0.703 0.7048 0.6639 0.5723 -0.4814 -0.0019 -0.0014 0.0033 -1.003 -0.756 1.759 -0.358 -0.27 0.628 -0.335 -0.252 0.587 33 H 1 0.7617 -0.2981 0.5753 0.049 0.9118 0.4076 -0.6461 -0.2823 0.7091 -0.0015 -0.0013 0.0028 -0.785 -0.706 1.491 -0.28 -0.252 0.532 -0.262 -0.236 0.497 34 H 1 -0.2123 0.9698 -0.12 0.3483 0.1899 0.918 0.913 0.1531 -0.3781 -0.002 -0.0014 0.0034 -1.067 -0.773 1.839 -0.381 -0.276 0.656 -0.356 -0.258 0.614 35 H 1 0.4822 0.1063 0.8696 -0.609 0.7542 0.2456 0.6297 0.648 -0.4284 -0.0024 -0.0 0.0025 -0.327 -0.002 0.33 -0.117 -0.001 0.118 -0.109 -0.001 0.11 36 C 13 -0.4495 0.6763 0.5836 0.8133 0.0395 0.5805 0.3695 0.7356 -0.5678 -0.0018 -0.0014 0.0032 -0.982 -0.739 1.721 -0.351 -0.264 0.614 -0.328 -0.247 0.574 37 H 1 0.2501 0.2328 0.9398 -0.7014 0.7127 0.0101 0.6674 0.6618 -0.3415 -0.0015 -0.0011 0.0026 -0.806 -0.596 1.402 -0.288 -0.212 0.5 -0.269 -0.199 0.468 38 H 1 PT28803.900S 2024-07-10T10:36:03.000 -19.30772 -19.30026 -19.25638 -19.25456 -19.24901 -19.24268 -14.54506 -14.43183 -14.43091 -10.43373 -10.42950 -10.39078 -10.38709 -10.38427 -10.38235 -10.36695 -10.36104 -10.35533 -10.35098 -10.34824 -10.34583 -10.34544 -10.34153 -6.86968 -1.21063 -1.20258 -1.14293 -1.13741 -1.12173 -1.11454 -1.10664 -1.05088 -0.95611 -0.95319 -0.91084 -0.89601 -0.83669 -0.79822 -0.78961 -0.78303 -0.77110 -0.73696 -0.70025 -0.68537 -0.67792 -0.65048 -0.62946 -0.62433 -0.61376 -0.60252 -0.59581 -0.59449 -0.59129 -0.57751 -0.57398 -0.56932 -0.56574 -0.55960 -0.55294 -0.54678 -0.54128 -0.52638 -0.51530 -0.51004 -0.50740 -0.50423 -0.50006 -0.49409 -0.48701 -0.48071 -0.47365 -0.46639 -0.45052 -0.44047 -0.42725 -0.40802 -0.39945 -0.39406 -0.39304 -0.38856 -0.37485 -0.37055 -0.36047 -0.34903 -0.33586 -0.32596 -0.28207 -0.02193 -0.00784 0.00878 0.02103 0.07273 0.09549 0.11709 0.14290 0.14668 0.15183 0.16336 0.17060 0.18044 0.18349 0.18818 0.19395 0.19500 0.20141 0.20372 0.20878 0.21206 0.21365 0.21492 0.22310 0.23412 0.24100 0.26182 0.27172 0.29443 0.30120 0.30703 0.31609 0.31934 0.32383 0.33553 0.34183 0.35456 0.36464 0.36976 0.37727 0.38701 0.39294 0.40735 0.41758 0.42718 0.44448 0.45217 0.45462 0.46735 0.48318 0.48619 0.50260 0.50686 0.51506 0.52200 0.53104 0.53533 0.53636 0.54160 0.54449 0.54645 0.55141 0.55658 0.56818 0.57353 0.58539 0.59817 0.60204 0.60435 0.62047 0.63017 0.64579 0.66274 0.66688 0.67224 0.68225 0.68641 0.69155 0.69662 0.70471 0.71055 0.71464 0.72030 0.72325 0.72751 0.73138 0.73485 0.74169 0.74549 0.75099 0.75418 0.75855 0.76182 0.76704 0.76733 0.76892 0.77679 0.77995 0.78219 0.79333 0.79398 0.80250 0.80908 0.81080 0.82217 0.83922 0.84676 0.86503 0.87511 0.87889 0.88694 0.90677 0.92795 0.92909 0.96180 0.96812 0.98268 1.00026 1.00667 1.01349 1.02937 1.03726 1.05830 1.05967 1.07458 1.08159 1.09493 1.10465 1.11131 1.12832 1.14288 1.14908 1.15314 1.16571 1.17646 1.18029 1.19332 1.19785 1.20416 1.22322 1.23803 1.24453 1.25683 1.26977 1.29036 1.29460 1.29673 1.30265 1.31139 1.33023 1.33326 1.34857 1.34984 1.37155 1.38010 1.38752 1.39269 1.40117 1.41075 1.41688 1.43368 1.44940 1.45757 1.48150 1.49775 1.51101 1.52061 1.53823 1.54720 1.56046 1.57430 1.58569 1.59387 1.59780 1.61148 1.61478 1.63356 1.65092 1.66169 1.67051 1.69766 1.70706 1.71726 1.73237 1.74259 1.76227 1.77928 1.78980 1.79604 1.80094 1.80460 1.81081 1.81431 1.81951 1.82556 1.83017 1.83381 1.84039 1.85199 1.85283 1.86731 1.87652 1.88606 1.89648 1.91686 1.92366 1.93628 1.93893 1.94687 1.95667 1.96338 1.97390 1.97933 1.98797 1.99399 2.00302 2.00341 2.01683 2.02456 2.02710 2.03541 2.04585 2.06557 2.08056 2.08596 2.10576 2.11771 2.12280 2.14250 2.14586 2.16991 2.18308 2.19992 2.21892 2.22706 2.24690 2.26469 2.27879 2.28815 2.31830 2.32729 2.35177 2.36579 2.38867 2.39290 2.39937 2.40576 2.41680 2.42462 2.43774 2.44492 2.46154 2.47350 2.48161 2.48939 2.49748 2.53285 2.56214 2.59588 2.64993 2.66129 2.66794 2.67265 2.68002 2.70016 2.70623 2.72239 2.72984 2.73747 2.74319 2.75653 2.75816 2.76420 2.76982 2.77472 2.78464 2.78622 2.79848 2.81419 2.81936 2.82666 2.85447 2.86051 2.88079 2.88432 2.89091 2.90251 2.92591 2.95272 2.96090 2.96840 2.98958 2.99693 3.02606 3.03423 3.06233 3.06765 3.07155 3.08484 3.12825 3.15413 3.18175 3.19464 3.21927 3.23851 3.23940 3.26844 3.28908 3.29732 3.33072 3.33664 3.36746 3.42462 3.50597 3.51928 3.55539 3.62659 3.69051 3.69274 3.72592 3.72804 3.73173 3.78961 3.81172 -19.30722 -19.29990 -19.25594 -19.25406 -19.24709 -19.24095 -14.54553 -14.43230 -14.43145 -10.43439 -10.43017 -10.39048 -10.38677 -10.38444 -10.38252 -10.36669 -10.36106 -10.35549 -10.35115 -10.34826 -10.34505 -10.34447 -10.33332 -6.86705 -1.20894 -1.20132 -1.14202 -1.13646 -1.12147 -1.11162 -1.10366 -1.04973 -0.95623 -0.95301 -0.91044 -0.88076 -0.83565 -0.79487 -0.78349 -0.78208 -0.77038 -0.73626 -0.69893 -0.68268 -0.67672 -0.64937 -0.62927 -0.61928 -0.61158 -0.59879 -0.59463 -0.59126 -0.58639 -0.57574 -0.57293 -0.56789 -0.56427 -0.55658 -0.55068 -0.54448 -0.54044 -0.52284 -0.51259 -0.50750 -0.50236 -0.49999 -0.49682 -0.49297 -0.48512 -0.47705 -0.47142 -0.45928 -0.44927 -0.43926 -0.42510 -0.39462 -0.39244 -0.38997 -0.38565 -0.38247 -0.37390 -0.36761 -0.35720 -0.34913 -0.33497 -0.32393 -0.06720 -0.01863 0.00847 0.01036 0.02376 0.08316 0.09875 0.11737 0.14502 0.14997 0.16129 0.16479 0.17757 0.18089 0.18723 0.19131 0.19580 0.19762 0.20216 0.20444 0.20922 0.21313 0.21397 0.21542 0.22440 0.23520 0.24296 0.26239 0.27396 0.29552 0.30265 0.30774 0.31736 0.32314 0.32449 0.33649 0.34284 0.35657 0.36879 0.37100 0.37882 0.39214 0.39765 0.40931 0.42305 0.42890 0.45232 0.45330 0.45674 0.47051 0.48436 0.48678 0.50413 0.50888 0.51632 0.52397 0.53337 0.53580 0.53741 0.54231 0.54597 0.54869 0.55341 0.55776 0.56958 0.57503 0.58739 0.59870 0.60267 0.60589 0.62152 0.63118 0.64758 0.66455 0.66821 0.67302 0.68361 0.68920 0.69391 0.69708 0.70564 0.71339 0.71528 0.72165 0.72367 0.72903 0.73242 0.73513 0.74358 0.74779 0.75343 0.75536 0.75964 0.76268 0.76769 0.76891 0.77137 0.77929 0.78192 0.78312 0.79411 0.79516 0.80397 0.81125 0.81361 0.82364 0.83955 0.84781 0.86535 0.87649 0.88029 0.88762 0.90809 0.92920 0.93014 0.96420 0.96942 0.98630 1.00236 1.00778 1.01456 1.03022 1.04014 1.05930 1.06129 1.07583 1.08332 1.09642 1.10560 1.11264 1.12951 1.14374 1.14984 1.15417 1.16749 1.17931 1.18319 1.19430 1.19993 1.20575 1.22579 1.24037 1.24501 1.25914 1.27279 1.29118 1.29512 1.29884 1.30425 1.31345 1.33199 1.33590 1.34998 1.35255 1.37265 1.38231 1.39113 1.39438 1.40591 1.41253 1.42265 1.43587 1.45039 1.46119 1.48400 1.49939 1.51345 1.52469 1.54044 1.54880 1.56143 1.57783 1.58670 1.59522 1.59845 1.61485 1.61694 1.63454 1.65292 1.66430 1.67190 1.69850 1.70813 1.71785 1.73524 1.74321 1.76407 1.78126 1.79101 1.79711 1.80213 1.80499 1.81172 1.81511 1.82015 1.82747 1.83118 1.83491 1.84127 1.85239 1.85465 1.86806 1.87782 1.88762 1.89779 1.91924 1.92443 1.93763 1.94082 1.95108 1.95896 1.96486 1.97476 1.98040 1.99323 1.99485 2.00429 2.00470 2.01818 2.02586 2.02790 2.03622 2.04715 2.06713 2.08125 2.08880 2.10696 2.11832 2.12325 2.14408 2.14729 2.17534 2.18339 2.20035 2.22346 2.23210 2.25501 2.27294 2.28298 2.29426 2.32044 2.32811 2.35237 2.36719 2.38899 2.39332 2.40040 2.40614 2.41780 2.42993 2.44341 2.44659 2.46232 2.47663 2.48626 2.49001 2.49869 2.53480 2.56534 2.59628 2.65062 2.66283 2.66907 2.67710 2.68164 2.70118 2.70770 2.72859 2.73476 2.73827 2.74721 2.75849 2.75878 2.76475 2.77144 2.77663 2.78729 2.78772 2.80302 2.81527 2.82012 2.82730 2.85532 2.86187 2.88236 2.88874 2.89450 2.90322 2.92728 2.95349 2.96169 2.97032 2.99188 2.99863 3.02636 3.03729 3.06263 3.06978 3.07240 3.08645 3.12976 3.15643 3.18196 3.19485 3.22009 3.23955 3.24088 3.26908 3.29096 3.29940 3.33449 3.33971 3.36782 3.42506 3.50624 3.52028 3.55670 3.62704 3.69125 3.69356 3.72683 3.72852 3.73236 3.79111 3.81405 2-A. -3.12937656e+00 -1.03321892e+00 -6.42715720e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.9541 -2.6262 -1.6336 8.5342 -156.8225 -120.9983 -128.5078 20.4165 -6.3310 3.1392 -21.3796 14.4446 6.9350 20.4165 -6.3310 3.1392 -246.1415 12.4946 -8.7218 -8.4520 -2.7654 -10.0238 -51.6832 -0.5005 -6.6722 -21.9649 -6306.6830 -2383.2915 -1692.6203 236.6771 -184.5852 102.8897 -67.5754 -33.7126 -4.3188 -1188.3699 -1117.8825 -720.8940 60.2846 -1.7542 54.7500 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -1181.6776416 0.763638 0. 0.750135 8.424E-9 2.341E-6 -15.0549278,9.8109795,5.2439483,15.9699598,-4.5370951,2.113761 C01 [X(C14H15B1N3O6)] -3.17217 -0.9420856 -0.5687131 0.000001943 -0.000000958 0.000001393 0.000002122 -0.000002980 0.000003691 0.000001100 -0.000003484 0.000002676 0.000000017 -0.000004490 0.000001336 -0.000000601 -0.000002372 0.000001772 0.000001075 -0.000000080 0.000002664 0.000002522 -0.000002063 0.000004202 0.000001004 -0.000004504 0.000003735 -0.000000749 -0.000004557 0.000001610 0.000000537 -0.000002889 -0.000000193 0.000003900 0.000003445 -0.000000239 0.000001471 0.000001132 0.000000176 0.000005966 -0.000003235 -0.000005009 0.000000382 0.000000179 0.000000698 -0.000001380 0.000003125 0.000001197 -0.000003569 0.000002881 -0.000000592 -0.000002878 -0.000000117 0.000004174 -0.000001656 0.000002770 -0.000000463 0.000000051 0.000001283 -0.000001787 -0.000001126 0.000002206 -0.000001800 -0.000001015 0.000001532 -0.000002117 0.000001179 0.000004220 -0.000000573 0.000002885 0.000004258 0.000000901 0.000000376 0.000002634 -0.000001475 0.000002140 0.000005395 -0.000001110 -0.000000857 -0.000001034 0.000002133 -0.000001179 0.000000296 -0.000004534 -0.000001240 -0.000001448 -0.000000724 -0.000001317 0.000000313 0.000001339 0.000000629 0.000000284 -0.000000897 -0.000002782 -0.000000078 -0.000002592 0.000000429 -0.000000170 0.000001275 0.000001601 -0.000000490 0.000002042 0.000001255 0.000000708 0.000001036 0.000000373 -0.000001222 0.000000931 -0.000002950 0.000000096 -0.000003615 -0.000003665 -0.000001026 -0.000003903 -0.000003342 0.000000962 -0.000004323 -0.000002653 -0.000000519 -0.000003037 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.407,-2.3007,-.1474;-2.5617,-2.8191,-.7019;-3.058,-2.2553,-1.8776;-2.3757,-1.1954,-2.4628;-1.2242,-.7184,-1.8578;-.9507,-2.6821,.7675;-3.0654,-3.6528,-.2128;-3.9736,-2.6406,-2.3302;-2.7341,-.7169,-3.3735;-.6564,.1282,-2.242;2.4203,-1.2464,.7716;2.5933,-.2855,-.3781;.4644,-.6412,-.0015;-.7604,-1.2714,-.7255;1.1843,-1.5427,.9591;1.4653,.0493,-.8909;-.0445,.3287,.7278;-.9831,1.6888,1.0032;-.4673,2.0094,1.9091;3.8711,.1621,-1.0164;3.7412,1.0703,-1.6563;3.4629,-1.7495,1.7201;3.1164,-2.6376,2.3046;4.9168,-.4196,-.9271;4.5295,-1.2301,1.9021;-2.2893,1.0391,1.1742;-.5893,2.3469,-.2528;-1.1547,2.2609,-1.3173;-2.9749,.5532,.3052;-2.6208,.9881,2.4746;.5511,3.0224,-.0756;-3.8299,.3208,2.7835;-3.7975,-.7269,2.4485;-3.936,.3647,3.8731;-4.6864,.8119,2.299;1.1672,3.5224,-1.2503;.4921,4.1976,-1.795;2.0608,4.0638,-.9202;1.4489,2.6842,-1.905; Gaussian 16 GINC-NODO01 BPR coments ES64L-G16RevC.02 111 C1[X(C14H15BN3O6)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP 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 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.407,-2.3007,-.1474;-2.5617,-2.8191,-.7019;-3.058,-2.2553,-1.8776;-2.3757,-1.1954,-2.4628;-1.2242,-.7184,-1.8578;-.9507,-2.6821,.7675;-3.0654,-3.6528,-.2128;-3.9736,-2.6406,-2.3302;-2.7341,-.7169,-3.3735;-.6564,.1282,-2.242;2.4203,-1.2464,.7716;2.5933,-.2855,-.3781;.4644,-.6412,-.0015;-.7604,-1.2714,-.7255;1.1843,-1.5427,.9591;1.4653,.0493,-.8909;-.0445,.3287,.7278;-.9831,1.6888,1.0032;-.4673,2.0094,1.9091;3.8711,.1621,-1.0164;3.7412,1.0703,-1.6563;3.4629,-1.7495,1.7201;3.1164,-2.6376,2.3046;4.9168,-.4196,-.9271;4.5295,-1.2301,1.9021;-2.2893,1.0391,1.1742;-.5893,2.3469,-.2528;-1.1547,2.2609,-1.3173;-2.9749,.5532,.3052;-2.6208,.9881,2.4746;.5511,3.0224,-.0756;-3.8299,.3208,2.7835;-3.7975,-.7269,2.4485;-3.936,.3647,3.8731;-4.6864,.8119,2.299;1.1672,3.5224,-1.2503;.4921,4.1976,-1.795;2.0608,4.0638,-.9202;1.4489,2.6842,-1.905; coments 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 12 12 12 12 12 1 1 1 1 1 12 12 11 14 14 14 1 12 1 12 1 12 1 16 16 12 12 16 16 16 16 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 11.0093053 14.0030740 14.0030740 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 15.9949146 15.9949146 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 1 1 1 1 0 0 3 2 2 2 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 2.7500000 4.5500000 4.5500000 4.5500000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 5.6000000 5.6000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "4_TS_2COOMe.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 1 1 1 2 2 3 3 4 4 5 5 11 11 11 12 12 13 13 13 13 17 18 18 18 20 20 22 22 26 26 27 27 30 31 32 32 32 36 36 36 2 6 14 3 7 4 8 5 9 10 14 12 15 22 16 20 14 15 16 17 18 19 26 27 21 24 23 25 29 30 28 31 32 36 33 34 35 37 38 39 1.3819 1.0912 1.3459 1.3951 1.09 1.3897 1.0917 1.3854 1.0894 1.0894 1.3428 1.5084 1.2847 1.4966 1.2835 1.4968 1.5562 1.5012 1.5065 1.3158 1.6754 1.0905 1.4689 1.4717 1.1185 1.1999 1.1182 1.2002 1.2089 1.343 1.2084 1.3372 1.4152 1.4175 1.1005 1.0956 1.0998 1.0992 1.0957 1.1002 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 6 1 1 3 2 2 4 3 3 5 4 4 10 12 12 15 11 11 16 14 14 14 15 15 16 1 1 5 11 12 13 17 17 17 19 19 26 12 12 21 11 11 23 18 18 29 18 18 28 26 27 30 30 30 33 33 34 31 31 31 37 37 38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 16 17 18 18 18 18 18 18 20 20 20 22 22 22 26 26 26 27 27 27 30 31 32 32 32 32 32 32 36 36 36 36 36 36 6 14 14 3 7 7 4 8 8 5 9 9 10 14 14 15 22 22 16 20 20 15 16 17 16 17 17 5 13 13 13 13 18 19 26 27 26 27 27 21 24 24 23 25 25 29 30 30 28 31 31 32 36 33 34 35 34 35 35 37 38 39 38 39 39 123.6878 121.0596 115.252 118.931 119.5438 121.5248 119.2398 120.3365 120.4233 119.1241 121.7013 119.1623 123.1435 120.8982 115.9411 111.6246 128.1212 120.011 111.707 127.8421 120.1231 115.5887 115.7168 104.5918 109.5377 105.8681 104.2593 120.7454 119.208 119.8253 103.2649 103.2068 154.9836 96.3291 99.1026 94.1726 116.9942 116.8068 122.3488 112.8095 124.5569 122.5035 112.486 124.7326 122.6646 126.7629 110.427 122.7377 126.5017 109.9363 123.4829 116.1183 116.0395 110.9348 106.3161 111.0141 110.1072 108.2983 110.1744 111.1203 106.2033 109.6145 110.2784 109.2908 110.3 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 6 6 14 14 2 2 6 6 1 1 7 7 2 2 8 8 3 3 9 9 4 4 10 10 15 15 22 22 12 22 12 12 15 15 11 20 11 11 16 16 15 15 16 16 17 17 14 16 17 14 15 17 14 15 16 13 13 13 17 17 19 19 27 27 17 17 19 19 26 26 18 29 18 28 26 26 26 27 27 27 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 26 26 27 27 30 30 30 31 31 31 2 2 2 2 14 14 14 14 3 3 3 3 4 4 4 4 5 5 5 5 14 14 14 14 12 12 12 12 15 15 22 22 22 22 16 16 20 20 20 20 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 26 26 26 26 26 26 27 27 27 27 27 27 30 30 31 31 32 32 32 36 36 36 3 7 3 7 5 13 5 13 4 8 4 8 5 9 5 9 10 14 10 14 1 13 1 13 16 20 16 20 13 13 23 25 23 25 13 13 21 24 21 24 1 5 1 5 1 5 11 11 11 12 12 12 18 18 18 19 26 27 29 30 29 30 29 30 28 31 28 31 28 31 32 32 36 36 33 34 35 37 38 39 -179.8999 0.3242 -0.2156 -179.9915 0.1575 174.7431 179.867 -5.5473 0.3797 -179.4193 -179.8491 0.3519 -0.4844 -179.2002 179.3145 0.5986 -177.9983 0.4309 0.7505 179.1798 -0.266 -174.8185 178.2714 3.719 1.6853 -171.6626 -172.572 14.0801 -6.0099 168.7743 -165.5315 18.3196 20.6352 -155.5137 3.621 177.5498 -164.7028 19.3667 22.4451 -153.4854 24.8314 -160.5323 154.7876 -30.576 -91.1404 83.496 141.1446 8.2666 -103.6086 -140.0896 -7.2779 105.6478 -49.8378 -172.3844 72.0865 -159.69 81.6063 -42.1062 -73.7392 103.2123 -175.6806 1.2709 27.1381 -155.9104 91.1602 -85.6769 -169.5921 13.5708 -12.3708 170.7921 -176.8123 0.2845 169.9176 -7.0342 59.6912 179.3943 -60.7773 58.5509 178.4951 -62.3547 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. saddle point 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. -0.02707 0.00109 0.00210 0.00282 0.00289 0.00358 0.00377 0.00417 0.00866 0.01085 0.01265 0.01374 0.01676 0.01743 0.01931 0.02026 0.02097 0.02148 0.02195 0.02416 0.02553 0.02703 0.02768 0.03019 0.03102 0.03578 0.03647 0.04435 0.04793 0.05141 0.05291 0.05600 0.07415 0.07571 0.08094 0.08196 0.08297 0.08451 0.08577 0.09584 0.10769 0.11105 0.11388 0.12115 0.12352 0.12630 0.12992 0.13227 0.13319 0.13361 0.14394 0.15268 0.16411 0.17894 0.18582 0.18927 0.19018 0.19050 0.19146 0.19240 0.19328 0.19718 0.20396 0.21027 0.21330 0.21546 0.21707 0.23674 0.25205 0.25612 0.25837 0.26390 0.26683 0.27093 0.28343 0.29435 0.30147 0.30805 0.30946 0.31569 0.34303 0.34489 0.34529 0.34678 0.34859 0.35582 0.35612 0.36726 0.37045 0.37052 0.37157 0.37287 0.37486 0.37903 0.39812 0.40044 0.40462 0.44780 0.45444 0.48517 0.49473 0.51387 0.51606 0.53139 0.56770 0.61945 0.69755 0.89649 0.91140 0.94192 0.95049 R21 R20 A33 D50 D47 1 0.84310 -0.28642 -0.13926 0.12713 -0.12548 D69 D63 D41 D70 D42 Angle between quadratic step and forces= 79.00 degrees. 1 2 0.00014089 0.00000005 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 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 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 2.61138 2.06207 2.54345 2.63641 2.05973 2.62618 2.06298 2.61806 2.05874 2.05868 2.53746 2.85044 2.42781 2.82815 2.42553 2.82846 2.94077 2.83693 2.84689 2.48658 3.16603 2.06084 2.77576 2.78105 2.11371 2.26758 2.11303 2.26813 2.28445 2.53781 2.28352 2.52703 2.67433 2.67876 2.07959 2.07036 2.07833 2.07728 2.07062 2.07914 2.15876 2.11289 2.01153 2.07574 2.08643 2.12101 2.08113 2.10027 2.10178 2.07911 2.12409 2.07977 2.14926 2.11007 2.02355 1.94822 2.23614 2.09459 1.94966 2.23126 2.09654 2.01740 2.01964 1.82547 1.91179 1.84775 1.81967 2.10740 2.08057 2.09135 1.80231 1.80130 2.70497 1.68126 1.72967 1.64362 2.04193 2.03866 2.13539 1.96890 2.17393 2.13809 1.96325 2.17700 2.14090 2.21243 1.92732 2.14218 2.20787 1.91875 2.15518 2.02665 2.02527 1.93618 1.85557 1.93756 1.92173 1.89016 1.92291 1.93941 1.85360 1.91313 1.92472 1.90748 1.92510 -3.13985 0.00566 -0.00376 -3.14144 0.00275 3.04984 3.13927 -0.09682 0.00663 -3.13146 -3.13896 0.00614 -0.00845 -3.12763 3.12963 0.01045 -3.10666 0.00752 0.01310 3.12728 -0.00464 -3.05116 3.11142 0.06491 0.02941 -2.99608 -3.01195 0.24574 -0.10489 2.94567 -2.88907 0.31974 0.36015 -2.71423 0.06320 3.09883 -2.87461 0.33801 0.39174 -2.67883 0.43339 -2.80182 2.70155 -0.53365 -1.59070 1.45728 2.46344 0.14428 -1.80831 -2.44503 -0.12702 1.84390 -0.86983 -3.00867 1.25815 -2.78712 1.42430 -0.73489 -1.28699 1.80140 -3.06621 0.02218 0.47365 -2.72115 1.59105 -1.49534 -2.95994 0.23685 -0.21591 2.98088 -3.08596 0.00497 2.96562 -0.12277 1.04181 3.13102 -1.06076 1.02191 3.11533 -1.08830 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00005 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 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00003 0.00001 -0.00003 0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00010 -0.00002 -0.00003 0.00005 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00004 -0.00001 -0.00004 0.00000 0.00001 0.00001 0.00005 0.00004 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00002 -0.00003 -0.00002 -0.00003 -0.00001 -0.00002 0.00009 0.00009 0.00010 0.00010 0.00018 0.00019 0.00022 0.00022 0.00023 0.00023 0.00002 -0.00002 -0.00003 -0.00002 0.00002 0.00000 -0.00036 -0.00035 -0.00036 0.00040 0.00041 0.00041 -0.00010 -0.00009 -0.00006 -0.00006 -0.00006 -0.00005 -0.00006 -0.00007 -0.00005 -0.00006 -0.00005 -0.00007 -0.00001 -0.00000 0.00002 0.00000 0.00007 0.00006 0.00007 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00005 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 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00003 0.00001 -0.00003 0.00002 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00010 -0.00002 -0.00003 0.00005 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00004 -0.00001 -0.00004 0.00000 0.00001 0.00001 0.00005 0.00004 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00002 -0.00003 -0.00002 -0.00003 -0.00001 -0.00002 0.00009 0.00009 0.00010 0.00010 0.00018 0.00019 0.00022 0.00022 0.00023 0.00023 0.00002 -0.00002 -0.00003 -0.00002 0.00002 0.00000 -0.00036 -0.00035 -0.00036 0.00040 0.00041 0.00041 -0.00010 -0.00009 -0.00006 -0.00006 -0.00006 -0.00005 -0.00006 -0.00007 -0.00005 -0.00006 -0.00005 -0.00007 -0.00001 -0.00000 0.00002 0.00000 0.00007 0.00006 0.00007 -0.00001 -0.00001 -0.00001 2.61138 2.06207 2.54345 2.63641 2.05973 2.62618 2.06298 2.61807 2.05874 2.05868 2.53746 2.85043 2.42782 2.82815 2.42553 2.82846 2.94077 2.83692 2.84688 2.48662 3.16604 2.06084 2.77576 2.78106 2.11371 2.26758 2.11303 2.26813 2.28445 2.53781 2.28352 2.52703 2.67433 2.67876 2.07959 2.07036 2.07833 2.07728 2.07062 2.07914 2.15875 2.11289 2.01154 2.07574 2.08643 2.12101 2.08113 2.10027 2.10178 2.07911 2.12409 2.07978 2.14927 2.11007 2.02354 1.94822 2.23613 2.09460 1.94966 2.23126 2.09655 2.01742 2.01965 1.82544 1.91180 1.84772 1.81968 2.10740 2.08057 2.09135 1.80231 1.80129 2.70487 1.68124 1.72964 1.64368 2.04194 2.03866 2.13539 1.96891 2.17392 2.13809 1.96326 2.17699 2.14090 2.21243 1.92732 2.14218 2.20787 1.91875 2.15518 2.02665 2.02527 1.93618 1.85557 1.93756 1.92173 1.89016 1.92291 1.93941 1.85360 1.91313 1.92472 1.90748 1.92510 -3.13986 0.00566 -0.00377 -3.14144 0.00274 3.04984 3.13927 -0.09681 0.00664 -3.13145 -3.13896 0.00614 -0.00846 -3.12765 3.12963 0.01044 -3.10670 0.00751 0.01306 3.12728 -0.00463 -3.05115 3.11147 0.06495 0.02942 -2.99607 -3.01195 0.24575 -0.10488 2.94568 -2.88909 0.31971 0.36013 -2.71425 0.06318 3.09881 -2.87452 0.33811 0.39184 -2.67872 0.43357 -2.80163 2.70177 -0.53343 -1.59047 1.45751 2.46346 0.14426 -1.80834 -2.44505 -0.12700 1.84390 -0.87020 -3.00902 1.25779 -2.78671 1.42471 -0.73449 -1.28709 1.80130 -3.06627 0.02212 0.47359 -2.72120 1.59099 -1.49542 -2.95999 0.23679 -0.21596 2.98082 -3.08596 0.00496 2.96564 -0.12276 1.04187 3.13108 -1.06070 1.02190 3.11532 -1.08830 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.000484 0.000141 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.868881e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 2 2 3 3 4 4 5 5 11 11 11 12 12 13 13 13 13 17 18 18 18 20 20 22 22 26 26 27 27 30 31 32 32 32 36 36 36 2 6 14 3 7 4 8 5 9 10 14 12 15 22 16 20 14 15 16 17 18 19 26 27 21 24 23 25 29 30 28 31 32 36 33 34 35 37 38 39 1.3819 1.0912 1.3459 1.3951 1.09 1.3897 1.0917 1.3854 1.0894 1.0894 1.3428 1.5084 1.2847 1.4966 1.2835 1.4968 1.5562 1.5012 1.5065 1.3158 1.6754 1.0905 1.4689 1.4717 1.1185 1.1999 1.1182 1.2002 1.2089 1.343 1.2084 1.3372 1.4152 1.4175 1.1005 1.0956 1.0998 1.0992 1.0957 1.1002 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 6 1 1 3 2 2 4 3 3 5 4 4 10 12 12 15 11 11 16 14 14 14 15 15 16 1 1 5 11 12 13 17 17 17 19 19 26 12 12 21 11 11 23 18 18 29 18 18 28 26 27 30 30 30 33 33 34 31 31 31 37 37 38 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 16 17 18 18 18 18 18 18 20 20 20 22 22 22 26 26 26 27 27 27 30 31 32 32 32 32 32 32 36 36 36 36 36 36 6 14 14 3 7 7 4 8 8 5 9 9 10 14 14 15 22 22 16 20 20 15 16 17 16 17 17 5 13 13 13 13 18 19 26 27 26 27 27 21 24 24 23 25 25 29 30 30 28 31 31 32 36 33 34 35 34 35 35 37 38 39 38 39 39 123.6878 121.0596 115.252 118.931 119.5438 121.5248 119.2398 120.3365 120.4233 119.1241 121.7013 119.1623 123.1435 120.8982 115.9411 111.6246 128.1212 120.011 111.707 127.8421 120.1231 115.5887 115.7168 104.5918 109.5377 105.8681 104.2593 120.7454 119.208 119.8253 103.2649 103.2068 154.9836 96.3291 99.1026 94.1726 116.9942 116.8068 122.3488 112.8095 124.5569 122.5035 112.486 124.7326 122.6646 126.7629 110.427 122.7377 126.5017 109.9363 123.4829 116.1183 116.0395 110.9348 106.3161 111.0141 110.1072 108.2983 110.1744 111.1203 106.2033 109.6145 110.2784 109.2908 110.3 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 6 14 14 2 2 6 6 1 1 7 7 2 2 8 8 3 3 9 9 4 4 10 10 15 15 22 22 12 22 12 12 15 15 11 20 11 11 16 16 15 15 16 16 17 17 14 16 17 14 15 17 14 15 16 13 13 13 17 17 19 19 27 27 17 17 19 19 26 26 18 29 18 28 26 26 26 27 27 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 18 18 18 18 18 18 18 18 18 18 18 18 26 26 27 27 30 30 30 31 31 2 2 2 2 14 14 14 14 3 3 3 3 4 4 4 4 5 5 5 5 14 14 14 14 12 12 12 12 15 15 22 22 22 22 16 16 20 20 20 20 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 26 26 26 26 26 26 27 27 27 27 27 27 30 30 31 31 32 32 32 36 36 3 7 3 7 5 13 5 13 4 8 4 8 5 9 5 9 10 14 10 14 1 13 1 13 16 20 16 20 13 13 23 25 23 25 13 13 21 24 21 24 1 5 1 5 1 5 11 11 11 12 12 12 18 18 18 19 26 27 29 30 29 30 29 30 28 31 28 31 28 31 32 32 36 36 33 34 35 37 38 -179.8999 0.3242 -0.2156 -179.9915 0.1575 174.7431 179.867 -5.5473 0.3797 -179.4193 -179.8491 0.3519 -0.4844 -179.2002 179.3145 0.5986 -177.9983 0.4309 0.7505 179.1798 -0.266 -174.8185 178.2714 3.719 1.6853 -171.6626 -172.572 14.0801 -6.0099 168.7743 -165.5315 18.3196 20.6352 -155.5137 3.621 177.5498 -164.7028 19.3667 22.4451 -153.4854 24.8314 -160.5323 154.7876 -30.576 -91.1404 83.496 141.1446 8.2666 -103.6086 -140.0896 -7.2779 105.6478 -49.8378 -172.3844 72.0865 -159.69 81.6063 -42.1062 -73.7392 103.2123 -175.6806 1.2709 27.1381 -155.9104 91.1602 -85.6769 -169.5921 13.5708 -12.3708 170.7921 -176.8123 0.2845 169.9176 -7.0342 59.6912 179.3943 -60.7773 58.5509 178.4951 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 435 A 411 A 411 705 435 87 86 2084.8161623602 39 39 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0308104486 0.000000 1.381882 0.000000 2.391914 1.395129 0.000000 2.742464 2.402455 1.389712 0.000000 2.337178 2.745503 2.392660 1.385420 0.000000 1.091201 2.184741 3.408664 3.830892 3.289862 0.000000 2.140794 1.089963 2.173612 3.402506 3.834924 2.524911 0.000000 3.386391 2.162558 1.091681 2.158602 3.387775 4.328408 2.516459 0.000000 3.831137 3.403919 2.170110 1.089440 2.139443 4.918418 4.326607 2.515075 0.000000 3.293967 3.832578 3.403104 2.180954 1.089406 4.128176 4.921084 4.321785 2.512242 0.000000 4.074802 5.428134 6.168209 5.784900 4.524921 3.664025 6.070650 7.241990 6.635526 4.520784 0.000000 4.485189 5.753130 6.169716 5.464875 4.117117 4.429104 6.586950 7.244428 6.127008 3.769098 1.508387 0.000000 2.505481 3.793596 4.304886 3.798858 2.510635 2.599936 4.644845 5.395979 4.648321 2.620690 2.188464 2.191024 0.000000 1.345933 2.374933 2.752035 2.373391 1.342766 2.062847 3.353613 3.843696 3.348876 2.066311 3.515525 3.512925 1.556187 0.000000 2.917824 4.291936 5.152785 4.950097 3.796750 2.427653 4.887363 6.215208 5.899797 4.053047 1.284744 2.313896 1.501237 2.587177 0.000000 3.784917 4.947792 5.171533 4.332846 2.959399 4.006081 5.890120 6.236127 4.938203 2.516647 2.314053 1.283534 1.506512 2.593431 2.456826 0.000000 3.087980 4.276518 4.748197 4.235204 3.028728 3.144489 5.085568 5.797034 5.014758 3.038755 2.925397 2.925458 1.315839 2.277038 2.250640 2.231042 0.000000 4.173696 5.071583 5.306616 4.719301 3.746799 4.377457 5.860753 6.228907 5.292425 3.615762 4.500267 4.312418 2.921273 3.435324 3.891307 3.502902 1.675393 0.000000 4.867058 5.875160 6.263958 5.746818 4.712005 4.852531 6.581260 7.203321 6.362139 4.561345 4.498040 4.457056 3.397635 4.217899 4.030799 3.926400 2.097397 1.090549 0.000000 5.888837 7.096973 7.388944 6.554125 5.238822 5.875531 7.957028 8.433260 7.068026 4.690560 2.699193 1.496758 3.644217 4.857008 3.745337 2.411645 4.289669 5.474706 5.549074 0.000000 6.335966 7.467620 7.572140 6.572707 5.281663 6.478435 8.409641 8.587413 6.933482 4.535417 3.606470 2.188476 4.050270 5.158992 4.495070 2.609194 4.534877 5.456594 5.595105 1.118527 0.000000 5.244706 6.580704 7.464601 7.203644 5.986111 4.610549 7.069476 8.514698 8.087907 6.016049 1.496593 2.702255 3.630840 4.903667 2.411169 3.747466 4.195826 5.665892 5.441581 3.362975 4.407827 0.000000 5.156303 6.427564 7.467271 7.414286 6.312716 4.348188 6.751584 8.470552 8.376133 6.523493 2.184061 3.605993 4.041913 5.106687 2.596612 4.489667 4.612647 6.100614 5.881637 4.408735 5.461446 1.118166 0.000000 6.643544 7.857243 8.238298 7.492677 6.218327 6.512958 8.641741 9.270409 8.038019 5.752370 3.130753 2.391165 4.552923 5.744318 4.330168 3.483355 5.283222 6.555896 6.552248 1.199950 2.033081 3.300060 4.313310 0.000000 6.370917 7.719519 8.538530 8.169171 6.892342 5.781755 8.247748 9.602326 8.992010 6.775902 2.393159 3.137002 4.527198 5.906749 3.489599 4.339048 4.972957 6.302130 5.955031 3.299980 4.309956 1.200241 2.034589 2.968423 0.000000 3.698504 4.298774 4.555976 4.269461 3.662790 3.975521 4.953826 5.353315 4.895206 3.894373 5.250320 5.291909 3.433456 3.359289 4.333331 4.397866 2.396490 1.468867 2.191130 6.596784 6.661782 6.415716 6.634587 7.646592 7.223233 0.000000 4.720106 5.547916 5.469361 4.541268 3.517823 5.144202 6.490716 6.375286 4.870910 2.980554 4.797791 4.132081 3.178357 3.653086 4.443317 3.147559 2.309015 1.471668 2.191505 5.025011 4.727827 6.090369 6.716967 6.198745 6.606112 2.576178 0.000000 4.715962 5.307057 4.932767 3.840467 3.028746 5.368596 6.312140 5.744324 3.948406 2.377310 5.426350 4.627501 3.574203 3.603223 5.012004 3.455023 3.024633 2.396181 3.308387 5.454665 5.049962 6.828689 7.440160 6.648288 7.406891 2.997953 1.208385 0.000000 3.287470 3.543586 3.557892 3.328427 3.059444 3.844251 4.238739 4.259447 3.899216 3.470444 5.706512 5.672364 3.653718 3.048837 4.703119 4.626023 2.969240 2.396761 3.313767 6.983320 7.015775 6.982061 7.161232 8.046331 7.876964 1.208878 3.036453 2.976934 0.000000 4.377677 4.958649 5.445347 5.404232 4.861280 4.378828 5.381285 6.171193 6.092629 5.181138 5.771158 6.078452 4.278377 4.336723 4.814636 5.376265 3.181790 2.310418 2.449545 7.417119 7.585911 6.713777 6.789020 8.388578 7.508352 1.342952 3.662256 4.260042 2.240720 0.000000 5.672231 6.648667 6.642745 5.661682 4.507943 5.958870 7.593204 7.591169 5.970854 3.811491 4.736488 3.899245 3.665336 4.536471 4.723496 3.215479 2.873385 2.301328 2.450022 4.481963 4.060233 5.871429 6.654434 5.624126 6.150027 3.682858 1.337249 2.243076 4.321465 4.550064 0.000000 4.618755 4.859567 5.381262 5.651374 5.423244 4.622969 5.035111 5.911085 6.339327 5.946781 6.750528 7.184876 5.208042 4.926506 5.651896 6.450970 4.307674 3.625702 3.863057 8.588957 8.808867 7.655180 7.565291 9.530059 8.547657 2.340863 4.881245 5.266703 2.631987 1.415197 5.887902 0.000000 3.863904 3.978600 4.647338 5.134422 5.016580 3.840926 4.022374 5.150661 5.918371 5.709513 6.460884 7.001992 4.916733 4.426587 5.263303 6.281060 4.261520 3.980693 4.343792 8.461857 8.769938 7.368106 7.174538 9.350293 8.360066 2.649076 5.199854 5.485742 2.628549 2.080084 6.272126 1.100473 0.000000 5.446493 5.740704 6.380080 6.709130 6.431945 5.276354 5.795973 6.893062 7.424819 6.943044 7.253816 7.818461 5.948823 5.823092 6.192523 7.208989 5.003851 4.325422 4.312085 9.214046 9.487443 7.990515 7.823748 10.100930 8.837027 3.232748 5.670358 6.186421 3.699901 2.018480 6.541427 1.095587 1.800088 0.000000 5.140741 5.167547 5.431655 5.660694 5.622028 5.339392 5.373132 5.818695 6.190785 6.109707 7.554807 7.833660 5.825385 5.375975 6.465672 6.971421 4.924417 4.020294 4.403048 9.200240 9.313205 8.561925 8.531340 10.205169 9.447783 2.657640 5.065027 5.258364 2.640342 2.080536 6.160929 1.099805 1.783423 1.800276 0.000000 6.461470 7.376961 7.185146 6.023245 4.906337 6.859536 8.394930 8.097915 6.139988 3.978594 5.329150 4.158648 4.403236 5.193448 5.525992 3.504272 3.947244 3.614421 3.865586 4.319355 3.578111 6.471958 7.374420 5.450019 6.620379 4.898174 2.337081 2.643260 5.328488 5.886112 1.417538 7.175905 7.509089 7.890694 7.362676 0.000000 6.967673 7.730100 7.365401 6.144488 5.207393 7.481905 8.762891 8.184749 6.087074 4.251917 6.320023 5.149833 5.160524 5.711667 6.404289 4.355751 4.649808 4.037312 4.407816 5.320596 4.511764 7.519932 8.391273 6.453638 7.709062 5.150527 2.640581 2.586646 5.450921 6.182215 2.083434 7.394069 7.788382 8.150212 7.418904 1.099247 0.000000 7.288978 8.293931 8.188320 7.051319 5.877072 7.577961 9.291112 9.129678 7.201719 4.961767 5.584815 4.415187 5.052643 6.038392 5.977690 4.058488 4.593392 4.313369 4.314739 4.302273 3.510925 6.536956 7.511492 5.315778 6.487385 5.697223 3.227381 3.707724 6.259737 6.549941 2.019129 7.901175 8.283670 8.521776 8.152468 1.095727 1.801072 0.000000 6.007848 6.915097 6.686595 5.476281 4.327299 6.457423 7.962435 7.611676 5.587596 3.328492 4.853647 3.529915 3.956091 4.681834 5.112714 2.823335 3.835402 3.919593 4.321434 3.607985 2.814491 6.070895 6.987373 4.755649 6.269528 5.114860 2.645301 2.702412 5.384815 6.214506 2.065676 7.445431 7.623250 8.231886 7.669489 1.100232 1.793866 1.802118 0.000000 C14H15BN3O6(2) 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 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.3244,-2.3445,-.2083;-2.4517,-2.8898,-.7926;-2.9451,-2.3213,-1.9673;-2.2873,-1.2298,-2.5215;-1.1629,-.7269,-1.8875;-.8723,-2.7274,.7081;-2.9367,-3.7479,-.3273;-3.8396,-2.7277,-2.4431;-2.645,-.7468,-3.4303;-.6161,.1442,-2.2465;2.4498,-1.1844,.7985;2.6119,-.1981,-.3311;.4893,-.6286,.0004;-.7015,-1.2849,-.7566;1.2209,-1.5235,.9583;1.4828,.1095,-.8585;-.0636,.3112,.7369;-1.0506,1.6354,1.0187;-.5616,1.9561,1.9392;3.8855,.3017,-.9381;3.7376,1.2165,-1.5644;3.4912,-1.6706,1.7571;3.1635,-2.5796,2.3197;4.9478,-.2476,-.8398;4.537,-1.1206,1.9675;-2.3379,.9411,1.1545;-.6562,2.328,-.2185;-1.1996,2.243,-1.2944;-2.9919,.4489,.2648;-2.6905,.8562,2.4475;.4584,3.0366,-.0088;-3.8826,.145,2.7228;-3.8103,-.895,2.3704;-4.0093,.166,3.8108;-4.7459,.6169,2.2312;1.0786,3.577,-1.1633;.3917,4.2398,-1.7084;1.9481,4.1409,-.8076;1.3988,2.7601,-1.8271; 0.3084572 0.1754800 0.1579995 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 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= 433 433 433 433 433 MxSgAt= 39 MxSgA2= 39. 1 open 1 1 1 -1181.67764155150 -1181.67764155 1 0.7636 1.171060856911e+03 -6.927701860834e+03 2.490178010460e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572474848 LenY= 1572285182 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7636 Using compressed storage, NAtomX= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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. 11770 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 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=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 117 IRICut= 1 DoRegI=T DoRafI=F 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= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 5.61D-14 1.00D-09 XBig12= 2.66D+02 5.32D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 5.61D-14 1.00D-09 XBig12= 4.38D+01 1.04D+00. 117 vectors produced by pass 2 Test12= 5.61D-14 1.00D-09 XBig12= 1.97D+00 2.11D-01. 117 vectors produced by pass 3 Test12= 5.61D-14 1.00D-09 XBig12= 4.76D-02 3.01D-02. 117 vectors produced by pass 4 Test12= 5.61D-14 1.00D-09 XBig12= 9.76D-04 3.91D-03. 117 vectors produced by pass 5 Test12= 5.61D-14 1.00D-09 XBig12= 1.33D-05 3.93D-04. 117 vectors produced by pass 6 Test12= 5.61D-14 1.00D-09 XBig12= 1.18D-07 2.47D-05. 90 vectors produced by pass 7 Test12= 5.61D-14 1.00D-09 XBig12= 1.07D-09 2.69D-06. 28 vectors produced by pass 8 Test12= 5.61D-14 1.00D-09 XBig12= 9.21D-12 2.38D-07. 3 vectors produced by pass 9 Test12= 5.61D-14 1.00D-09 XBig12= 8.79D-14 1.87D-08. 3 vectors produced by pass 10 Test12= 5.61D-14 1.00D-09 XBig12= 8.81D-16 1.76D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 943 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 206.60 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 265.584 6.869 185.006 10.124 -13.445 169.224 270.638 12.976 198.815 23.184 -17.489 203.205 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 C C C C C H H H H H C C B N N N H C H C H C H O O C C O O O O C H H H C H H H 13 13 13 13 13 1 1 1 1 1 13 13 11 14 14 14 1 13 1 13 1 13 1 17 17 13 13 17 17 17 17 13 1 1 1 13 1 1 1 0.00491 -0.00331 0.00426 -0.00364 0.00562 -0.00037 0.00015 -0.00033 0.00017 -0.00041 0.01552 0.01040 0.08235 -0.01982 -0.00062 -0.00521 -0.00185 0.18503 -0.00929 -0.00597 0.00011 -0.00533 -0.00010 0.00657 0.00785 -0.03729 -0.03762 0.02476 0.02817 0.00553 -0.00160 -0.00100 0.00074 0.00002 0.00070 -0.00135 0.00051 0.00002 0.00080 5.51532 -3.72494 4.78455 -4.09406 6.32136 -1.66579 0.68393 -1.47266 0.75137 -1.83882 17.44820 11.69003 118.12206 -6.40434 -0.20148 -1.68276 -8.28374 208.00660 -41.50541 -6.70922 0.51033 -5.98679 -0.44864 -3.98090 -4.76073 -41.91878 -42.29557 -15.00668 -17.07432 -3.35373 0.97262 -1.12112 3.28625 0.08715 3.13638 -1.51460 2.27702 0.07928 3.56553 1.96800 -1.32915 1.70725 -1.46086 2.25562 -0.59440 0.24404 -0.52548 0.26811 -0.65614 6.22595 4.17129 42.14889 -2.28523 -0.07189 -0.60045 -2.95584 74.22193 -14.81016 -2.39402 0.18210 -2.13624 -0.16008 -1.42049 -1.69875 -14.95766 -15.09211 -5.35476 -6.09254 -1.19670 0.34705 -0.40004 1.17262 0.03110 1.11914 -0.54045 0.81250 0.02829 1.27227 1.83971 -1.24251 1.59595 -1.36563 2.10858 -0.55565 0.22814 -0.49123 0.25063 -0.61337 5.82009 3.89937 39.40128 -2.13626 -0.06721 -0.56131 -2.76316 69.38353 -13.84471 -2.23795 0.17023 -1.99698 -0.14965 -1.32789 -1.58801 -13.98260 -14.10828 -5.00569 -5.69538 -1.11868 0.32443 -0.37397 1.09618 0.02907 1.04618 -0.50522 0.75953 0.02645 1.18933 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 0.000233 -0.000298 0.000022 -0.000519 -0.003046 -0.001948 -0.000088 0.000967 -0.000196 -0.002776 -0.046352 -0.036610 -0.029234 -0.005627 0.024927 0.015708 -0.006580 -0.027692 -0.013029 0.005537 0.001069 0.007122 -0.000182 -0.028618 0.008440 0.005730 -0.007714 -0.026067 0.014627 -0.023421 -0.007053 0.000170 0.000406 0.000310 0.002608 0.000400 -0.000848 0.000527 0.000421 0.004930 0.000214 0.001472 -0.000863 0.004907 0.003047 0.000617 -0.000381 -0.000379 -0.000418 0.031696 0.029326 0.033943 0.002099 -0.042140 0.003779 0.035736 0.346427 -0.010552 -0.003014 -0.000598 0.000086 -0.000041 -0.006620 0.021276 -0.003601 -0.004602 0.148355 0.144769 0.063554 0.039757 0.000217 0.000044 -0.001009 -0.001851 0.000994 0.000901 0.000502 -0.000731 -0.005163 0.000084 -0.001494 0.001382 -0.001861 -0.001099 -0.000530 -0.000586 0.000575 0.003194 0.014657 0.007284 -0.004710 0.003528 0.017213 -0.019488 -0.029157 -0.318735 0.023581 -0.002522 -0.000471 -0.007208 0.000223 0.035238 -0.029716 -0.002130 0.012316 -0.122289 -0.159396 -0.040132 -0.032703 -0.000387 -0.000450 0.000698 -0.000757 -0.001395 -0.000054 -0.001029 0.000310 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 -0.013805 0.007357 -0.011251 0.007664 -0.014880 0.000495 0.000675 0.000986 0.000892 -0.000071 -0.007046 0.004726 -0.068863 0.012285 0.034116 0.032002 -0.059640 -0.476980 -0.005090 -0.003840 0.000621 0.000650 -0.001164 0.014365 -0.055310 0.017529 0.007273 -0.189308 -0.231052 -0.039889 -0.038728 0.001462 0.001936 0.000784 0.000798 0.000886 0.001392 0.001631 0.001082 -0.011198 0.006363 -0.010073 0.006770 -0.010505 0.000238 0.000687 0.001168 0.000835 -0.000876 -0.001449 0.000734 -0.055140 0.010459 0.033738 0.033034 -0.024875 -0.099673 0.032771 -0.004950 -0.001693 0.005456 0.001149 0.023352 -0.031021 0.000216 0.002102 -0.046745 0.016958 0.000243 -0.013007 -0.002351 -0.001685 -0.001951 -0.001704 -0.001683 -0.000848 -0.000946 -0.002072 0.014140 -0.004907 0.013112 -0.004545 0.017178 -0.000917 0.000431 0.001730 0.001118 0.001276 0.068890 0.057431 0.086858 -0.013075 -0.038457 -0.026141 0.037300 0.148929 0.028284 -0.007068 -0.000800 -0.007629 -0.001436 0.048200 0.037485 0.003633 -0.011617 0.078104 -0.017534 -0.019552 0.009914 -0.001673 -0.001197 -0.000799 -0.000219 -0.000911 -0.002106 -0.000932 -0.001284 0.2206 -0.4515 0.8646 0.8013 0.5893 0.1033 -0.5561 0.67 0.4917 -0.0154 -0.0114 0.0268 -2.067 -1.525 3.592 -0.738 -0.544 1.282 -0.689 -0.509 1.198 1 C 13 0.6233 -0.5684 -0.5371 0.1661 -0.5749 0.8011 0.7642 0.5886 0.2639 -0.0125 0.0049 0.0076 -1.676 0.661 1.015 -0.598 0.236 0.362 -0.559 0.22 0.339 2 C 13 0.0037 -0.6646 0.7472 0.8365 0.4114 0.3619 -0.5479 0.6237 0.5575 -0.0132 -0.0099 0.0231 -1.772 -1.324 3.097 -0.632 -0.473 1.105 -0.591 -0.442 1.033 3 C 13 0.6375 -0.593 -0.4919 -0.103 -0.6983 0.7084 0.7636 0.4009 0.5062 -0.0129 0.0049 0.008 -1.727 0.655 1.073 -0.616 0.234 0.383 -0.576 0.218 0.358 4 C 13 0.308 0.7178 -0.6245 0.8152 0.1393 0.5622 -0.4906 0.6822 0.5422 -0.0164 -0.0128 0.0293 -2.204 -1.722 3.926 -0.786 -0.615 1.401 -0.735 -0.575 1.31 5 C 13 0.9242 -0.1508 -0.3508 0.3726 0.1556 0.9148 0.0834 0.9762 -0.2 -0.0021 -0.0012 0.0033 -1.131 -0.618 1.749 -0.404 -0.22 0.624 -0.377 -0.206 0.583 6 H 1 -0.6067 0.041 0.7938 -0.5805 0.6594 -0.4777 0.5431 0.7506 0.3763 -0.001 -3.0E-4 0.0013 -0.551 -0.154 0.705 -0.197 -0.055 0.252 -0.184 -0.051 0.235 7 H 1 -0.0685 -0.6622 0.7462 0.7354 -0.5389 -0.4108 0.6741 0.5206 0.5239 -0.0022 -4.0E-4 0.0026 -1.189 -0.217 1.406 -0.424 -0.078 0.502 -0.397 -0.072 0.469 8 H 1 -0.4621 0.8355 -0.2972 0.7427 0.1815 -0.6445 0.4845 0.5186 0.7045 -0.0013 -7.0E-4 0.002 -0.678 -0.375 1.053 -0.242 -0.134 0.376 -0.226 -0.125 0.351 9 H 1 0.9871 -0.0499 0.1522 0.0921 0.9543 -0.2843 -0.131 0.2947 0.9466 -0.0029 -8.0E-4 0.0037 -1.552 -0.43 1.981 -0.554 -0.153 0.707 -0.518 -0.143 0.661 10 H 1 0.7256 0.4791 -0.494 0.6867 -0.4573 0.5651 -0.0448 0.7493 0.6608 -0.05 -0.0429 0.0929 -6.712 -5.75 12.462 -2.395 -2.052 4.447 -2.239 -1.918 4.157 11 C 13 0.4618 -0.5773 0.6734 0.8862 0.2693 -0.3769 0.0362 0.7708 0.636 -0.0414 -0.0355 0.0769 -5.562 -4.762 10.324 -1.985 -1.699 3.684 -1.855 -1.588 3.444 12 C 13 -0.0469 -0.6429 0.7645 0.8936 0.315 0.3198 -0.4464 0.6982 0.5597 -0.0744 -0.0732 0.1476 -12.733 -12.54 25.272 -4.543 -4.474 9.018 -4.247 -4.183 8.43 13 B 11 0.6548 -0.5583 -0.5095 0.7524 0.4168 0.5102 0.0725 0.7174 -0.6929 -0.0242 0.0083 0.016 -0.935 0.319 0.616 -0.334 0.114 0.22 -0.312 0.106 0.205 14 N 14 -0.4006 0.798 0.4503 0.5335 0.6026 -0.5935 0.7449 -0.0025 0.6671 -0.081 0.0259 0.055 -3.123 1.0 2.122 -1.114 0.357 0.757 -1.042 0.334 0.708 15 N 14 -0.5025 0.5147 0.6947 -0.2445 0.6861 -0.6852 0.8293 0.5142 0.2189 -0.0627 0.0185 0.0443 -2.42 0.713 1.707 -0.864 0.254 0.609 -0.807 0.238 0.57 16 N 14 0.7223 0.6318 -0.2813 0.4322 -0.0949 0.8968 -0.5399 0.7693 0.3416 -0.0491 -0.0451 0.0942 -26.174 -24.06 50.234 -9.34 -8.585 17.925 -8.731 -8.025 16.756 17 H 1 0.7171 0.573 -0.3968 0.422 0.0963 0.9015 -0.5547 0.8139 0.1727 -0.3537 -0.3495 0.7031 -47.458 -46.897 94.355 -16.934 -16.734 33.668 -15.83 -15.643 31.473 18 C 13 0.6459 0.5433 -0.5364 -0.6483 0.7613 -0.0095 0.4032 0.3539 0.8439 -0.0445 -0.0066 0.0511 -23.757 -3.506 27.264 -8.477 -1.251 9.728 -7.925 -1.17 9.094 19 H 1 0.3335 0.6653 0.6679 -0.208 0.7429 -0.6362 0.9195 -0.0733 -0.3862 -0.012 0.0041 0.0079 -1.615 0.552 1.063 -0.576 0.197 0.379 -0.539 0.184 0.355 20 C 13 0.4264 0.363 0.8285 -0.4441 0.8819 -0.1579 0.788 0.3007 -0.5373 -0.0017 -8.0E-4 0.0025 -0.903 -0.409 1.313 -0.322 -0.146 0.468 -0.301 -0.137 0.438 21 H 1 -0.24 0.491 0.8375 0.4286 0.8276 -0.3624 0.871 -0.2719 0.4091 -0.0132 0.0038 0.0095 -1.777 0.505 1.272 -0.634 0.18 0.454 -0.593 0.168 0.424 22 C 13 0.2893 0.8063 0.5159 0.8054 0.0863 -0.5865 0.5174 -0.5852 0.6244 -0.0014 -0.0011 0.0025 -0.735 -0.61 1.345 -0.262 -0.218 0.48 -0.245 -0.204 0.449 23 H 1 0.2803 0.7603 -0.586 0.9247 -0.3777 -0.0477 0.2576 0.5285 0.8089 -0.0385 -0.0357 0.0742 2.784 2.583 -5.366 0.993 0.922 -1.915 0.929 0.861 -1.79 24 O 17 0.1101 -0.3956 0.9118 0.7827 0.5999 0.1658 -0.6126 0.6954 0.3757 -0.0497 -0.0405 0.0903 3.598 2.932 -6.531 1.284 1.046 -2.33 1.2 0.978 -2.178 25 O 17 -0.5907 0.7873 -0.177 -0.1956 0.0731 0.978 0.7829 0.6123 0.1108 -0.0176 -0.0019 0.0195 -2.358 -0.255 2.613 -0.841 -0.091 0.932 -0.786 -0.085 0.872 26 C 13 -0.6396 0.6966 0.3252 0.7665 0.5454 0.3393 -0.059 -0.4662 0.8827 -0.0167 -0.0016 0.0183 -2.241 -0.216 2.457 -0.8 -0.077 0.877 -0.748 -0.072 0.82 27 C 13 0.7242 0.5657 -0.3944 0.4466 0.0511 0.8933 -0.5254 0.8231 0.2157 -0.1485 -0.1412 0.2897 10.743 10.217 -20.96 3.833 3.646 -7.479 3.584 3.408 -6.992 28 O 17 -0.5722 -0.3879 0.7226 0.5556 0.4646 0.6895 -0.6032 0.796 -0.0503 -0.1634 -0.1575 0.321 11.824 11.4 -23.224 4.219 4.068 -8.287 3.944 3.803 -7.747 29 O 17 0.5186 0.3242 0.7912 0.7798 0.2003 -0.5932 -0.3507 0.9246 -0.1489 -0.048 -0.0339 0.0818 3.472 2.449 -5.921 1.239 0.874 -2.113 1.158 0.817 -1.975 30 O 17 0.5252 0.1527 0.8372 0.6924 0.4952 -0.5247 -0.4947 0.8552 0.1543 -0.0391 -0.0249 0.0639 2.826 1.801 -4.627 1.008 0.643 -1.651 0.943 0.601 -1.544 31 O 17 0.5987 0.1599 0.7849 -0.5155 0.8268 0.2248 0.613 0.5392 -0.5774 -0.0025 -0.0011 0.0037 -0.338 -0.154 0.493 -0.121 -0.055 0.176 -0.113 -0.051 0.164 32 C 13 0.7418 -0.4222 0.5211 -0.095 0.703 0.7048 0.6639 0.5723 -0.4814 -0.0019 -0.0014 0.0033 -1.003 -0.756 1.759 -0.358 -0.27 0.628 -0.335 -0.252 0.587 33 H 1 0.7617 -0.2981 0.5753 0.049 0.9118 0.4076 -0.6461 -0.2823 0.7091 -0.0015 -0.0013 0.0028 -0.785 -0.706 1.491 -0.28 -0.252 0.532 -0.262 -0.236 0.497 34 H 1 -0.2123 0.9698 -0.12 0.3483 0.1899 0.918 0.913 0.1531 -0.3781 -0.002 -0.0014 0.0034 -1.067 -0.773 1.839 -0.381 -0.276 0.656 -0.356 -0.258 0.614 35 H 1 0.4822 0.1063 0.8696 -0.609 0.7542 0.2456 0.6297 0.648 -0.4284 -0.0024 -0.0 0.0025 -0.327 -0.002 0.33 -0.117 -0.001 0.118 -0.109 -0.001 0.11 36 C 13 -0.4495 0.6763 0.5836 0.8133 0.0395 0.5805 0.3695 0.7356 -0.5678 -0.0018 -0.0014 0.0032 -0.982 -0.739 1.721 -0.351 -0.264 0.614 -0.328 -0.247 0.574 37 H 1 0.2501 0.2328 0.9398 -0.7014 0.7127 0.0101 0.6674 0.6618 -0.3415 -0.0015 -0.0011 0.0026 -0.806 -0.596 1.402 -0.288 -0.212 0.5 -0.269 -0.199 0.468 38 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT12349.100S 2024-07-10T10:54:06.000 -19.30772 -19.30026 -19.25638 -19.25456 -19.24901 -19.24268 -14.54506 -14.43183 -14.43091 -10.43373 -10.42950 -10.39078 -10.38709 -10.38427 -10.38235 -10.36695 -10.36104 -10.35533 -10.35098 -10.34824 -10.34583 -10.34545 -10.34153 -6.86968 -1.21063 -1.20258 -1.14293 -1.13741 -1.12173 -1.11454 -1.10664 -1.05088 -0.95611 -0.95319 -0.91084 -0.89601 -0.83669 -0.79822 -0.78961 -0.78303 -0.77110 -0.73696 -0.70025 -0.68537 -0.67792 -0.65048 -0.62946 -0.62433 -0.61376 -0.60252 -0.59581 -0.59449 -0.59129 -0.57751 -0.57398 -0.56932 -0.56574 -0.55960 -0.55294 -0.54678 -0.54128 -0.52638 -0.51530 -0.51004 -0.50740 -0.50423 -0.50006 -0.49409 -0.48701 -0.48071 -0.47365 -0.46639 -0.45052 -0.44047 -0.42725 -0.40802 -0.39945 -0.39406 -0.39304 -0.38856 -0.37485 -0.37055 -0.36047 -0.34903 -0.33586 -0.32596 -0.28207 -0.02193 -0.00784 0.00878 0.02103 0.07273 0.09549 0.11709 0.14290 0.14668 0.15183 0.16336 0.17060 0.18044 0.18349 0.18818 0.19395 0.19500 0.20141 0.20372 0.20878 0.21206 0.21365 0.21492 0.22310 0.23412 0.24100 0.26182 0.27172 0.29443 0.30120 0.30703 0.31609 0.31934 0.32383 0.33553 0.34183 0.35456 0.36464 0.36976 0.37727 0.38701 0.39294 0.40735 0.41758 0.42718 0.44448 0.45217 0.45462 0.46735 0.48318 0.48619 0.50260 0.50686 0.51506 0.52200 0.53104 0.53533 0.53636 0.54160 0.54449 0.54645 0.55141 0.55658 0.56818 0.57353 0.58539 0.59817 0.60204 0.60435 0.62047 0.63017 0.64579 0.66274 0.66688 0.67224 0.68225 0.68641 0.69155 0.69662 0.70471 0.71055 0.71464 0.72030 0.72325 0.72751 0.73138 0.73485 0.74169 0.74549 0.75099 0.75418 0.75855 0.76182 0.76704 0.76733 0.76892 0.77679 0.77995 0.78219 0.79333 0.79398 0.80250 0.80908 0.81080 0.82217 0.83922 0.84676 0.86503 0.87511 0.87889 0.88694 0.90677 0.92795 0.92909 0.96180 0.96812 0.98268 1.00026 1.00667 1.01349 1.02937 1.03726 1.05830 1.05967 1.07458 1.08159 1.09493 1.10465 1.11131 1.12832 1.14288 1.14908 1.15314 1.16571 1.17646 1.18029 1.19332 1.19785 1.20416 1.22322 1.23803 1.24453 1.25683 1.26977 1.29036 1.29460 1.29673 1.30265 1.31139 1.33023 1.33326 1.34857 1.34984 1.37155 1.38010 1.38752 1.39269 1.40117 1.41075 1.41688 1.43368 1.44940 1.45757 1.48150 1.49775 1.51101 1.52061 1.53823 1.54720 1.56046 1.57430 1.58569 1.59387 1.59780 1.61148 1.61478 1.63356 1.65092 1.66169 1.67051 1.69766 1.70706 1.71726 1.73237 1.74259 1.76227 1.77927 1.78980 1.79604 1.80094 1.80460 1.81081 1.81431 1.81951 1.82556 1.83017 1.83381 1.84039 1.85199 1.85283 1.86731 1.87652 1.88606 1.89648 1.91686 1.92366 1.93628 1.93893 1.94687 1.95667 1.96338 1.97390 1.97933 1.98797 1.99399 2.00302 2.00341 2.01683 2.02456 2.02710 2.03541 2.04585 2.06557 2.08056 2.08596 2.10576 2.11771 2.12280 2.14250 2.14586 2.16991 2.18308 2.19992 2.21892 2.22706 2.24690 2.26469 2.27879 2.28815 2.31830 2.32729 2.35177 2.36579 2.38867 2.39290 2.39937 2.40576 2.41680 2.42462 2.43774 2.44492 2.46154 2.47350 2.48161 2.48939 2.49748 2.53285 2.56214 2.59588 2.64993 2.66129 2.66794 2.67265 2.68002 2.70016 2.70623 2.72239 2.72984 2.73747 2.74319 2.75653 2.75816 2.76420 2.76982 2.77472 2.78464 2.78622 2.79848 2.81419 2.81936 2.82666 2.85447 2.86051 2.88079 2.88432 2.89091 2.90251 2.92591 2.95272 2.96090 2.96840 2.98958 2.99693 3.02606 3.03423 3.06233 3.06765 3.07155 3.08484 3.12825 3.15413 3.18175 3.19464 3.21927 3.23851 3.23940 3.26844 3.28908 3.29732 3.33072 3.33663 3.36746 3.42462 3.50597 3.51928 3.55539 3.62659 3.69051 3.69274 3.72592 3.72804 3.73173 3.78961 3.81172 -19.30722 -19.29990 -19.25594 -19.25406 -19.24709 -19.24095 -14.54553 -14.43230 -14.43145 -10.43439 -10.43017 -10.39048 -10.38677 -10.38444 -10.38252 -10.36669 -10.36106 -10.35549 -10.35115 -10.34826 -10.34505 -10.34447 -10.33332 -6.86705 -1.20894 -1.20132 -1.14202 -1.13646 -1.12147 -1.11162 -1.10366 -1.04973 -0.95623 -0.95301 -0.91044 -0.88076 -0.83565 -0.79487 -0.78349 -0.78208 -0.77038 -0.73626 -0.69893 -0.68268 -0.67672 -0.64937 -0.62927 -0.61928 -0.61158 -0.59879 -0.59463 -0.59126 -0.58639 -0.57574 -0.57293 -0.56789 -0.56427 -0.55658 -0.55068 -0.54447 -0.54044 -0.52284 -0.51259 -0.50750 -0.50236 -0.49999 -0.49682 -0.49297 -0.48512 -0.47705 -0.47142 -0.45928 -0.44927 -0.43926 -0.42510 -0.39462 -0.39244 -0.38997 -0.38565 -0.38247 -0.37390 -0.36761 -0.35720 -0.34913 -0.33497 -0.32393 -0.06720 -0.01863 0.00847 0.01036 0.02376 0.08316 0.09875 0.11737 0.14502 0.14997 0.16129 0.16479 0.17757 0.18089 0.18723 0.19131 0.19580 0.19762 0.20216 0.20444 0.20922 0.21313 0.21397 0.21542 0.22440 0.23520 0.24296 0.26239 0.27396 0.29552 0.30265 0.30774 0.31736 0.32314 0.32449 0.33649 0.34284 0.35657 0.36879 0.37100 0.37882 0.39214 0.39765 0.40931 0.42305 0.42890 0.45232 0.45330 0.45674 0.47051 0.48436 0.48678 0.50413 0.50888 0.51632 0.52397 0.53337 0.53580 0.53741 0.54231 0.54597 0.54869 0.55341 0.55776 0.56958 0.57503 0.58739 0.59870 0.60267 0.60589 0.62152 0.63118 0.64758 0.66455 0.66821 0.67302 0.68361 0.68920 0.69391 0.69708 0.70564 0.71339 0.71528 0.72165 0.72367 0.72903 0.73242 0.73513 0.74358 0.74779 0.75343 0.75536 0.75964 0.76268 0.76769 0.76891 0.77137 0.77929 0.78192 0.78312 0.79411 0.79516 0.80397 0.81125 0.81361 0.82364 0.83955 0.84781 0.86535 0.87649 0.88029 0.88762 0.90809 0.92920 0.93014 0.96420 0.96942 0.98630 1.00236 1.00778 1.01456 1.03022 1.04014 1.05930 1.06129 1.07583 1.08332 1.09642 1.10560 1.11264 1.12951 1.14374 1.14984 1.15417 1.16749 1.17931 1.18319 1.19430 1.19993 1.20575 1.22579 1.24037 1.24501 1.25914 1.27279 1.29118 1.29512 1.29884 1.30425 1.31345 1.33199 1.33590 1.34998 1.35255 1.37265 1.38231 1.39113 1.39438 1.40591 1.41253 1.42265 1.43587 1.45039 1.46119 1.48400 1.49939 1.51345 1.52469 1.54044 1.54880 1.56143 1.57783 1.58670 1.59522 1.59845 1.61485 1.61694 1.63454 1.65292 1.66430 1.67190 1.69850 1.70813 1.71785 1.73524 1.74321 1.76407 1.78126 1.79101 1.79711 1.80213 1.80499 1.81172 1.81511 1.82015 1.82747 1.83118 1.83491 1.84127 1.85239 1.85465 1.86806 1.87782 1.88762 1.89779 1.91924 1.92443 1.93763 1.94082 1.95108 1.95896 1.96486 1.97476 1.98040 1.99323 1.99485 2.00429 2.00470 2.01818 2.02586 2.02790 2.03622 2.04715 2.06713 2.08125 2.08880 2.10696 2.11832 2.12325 2.14408 2.14729 2.17534 2.18338 2.20035 2.22346 2.23210 2.25501 2.27294 2.28298 2.29426 2.32044 2.32811 2.35237 2.36719 2.38899 2.39331 2.40040 2.40614 2.41780 2.42993 2.44341 2.44659 2.46232 2.47663 2.48626 2.49001 2.49869 2.53480 2.56534 2.59628 2.65062 2.66283 2.66907 2.67710 2.68164 2.70118 2.70770 2.72859 2.73476 2.73827 2.74721 2.75849 2.75878 2.76475 2.77144 2.77663 2.78729 2.78772 2.80302 2.81527 2.82012 2.82730 2.85532 2.86187 2.88236 2.88874 2.89450 2.90322 2.92728 2.95349 2.96169 2.97032 2.99188 2.99863 3.02636 3.03729 3.06263 3.06978 3.07240 3.08645 3.12976 3.15643 3.18196 3.19485 3.22009 3.23955 3.24088 3.26908 3.29096 3.29940 3.33449 3.33971 3.36782 3.42506 3.50624 3.52028 3.55670 3.62704 3.69125 3.69356 3.72683 3.72852 3.73236 3.79111 3.81405 2-A. -3.12937597e+00 -1.03322013e+00 -6.42711070e-01 2.65584282e+02 6.86859784e+00 1.85006080e+02 1.01235686e+01 -1.34453117e+01 1.69224176e+02 -603.6547 -4.5192 -2.9994 -0.0008 -0.0007 -0.0005 2.7607 23.8945 27.9085 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -603.6544 23.8754 27.9002 35.8759 41.4832 47.4021 69.9592 75.3499 87.9583 101.4714 106.7615 112.3576 124.6122 132.6661 148.1012 168.2380 174.6670 179.9679 194.3870 202.2611 227.1112 252.7262 271.9656 280.0596 312.3514 331.2704 369.3052 383.3779 393.5520 405.6314 464.7848 525.3047 549.1081 585.1207 650.7093 664.7121 679.0775 698.8960 709.5146 727.0828 737.4524 740.4712 748.0821 783.8836 787.1710 802.8874 817.3978 893.6303 927.2724 960.4202 978.3046 982.7028 989.2043 1016.4289 1028.9597 1028.9911 1048.6607 1055.6750 1066.2592 1080.0965 1088.5355 1097.0014 1106.6120 1128.1946 1176.3271 1183.1942 1184.0156 1195.7029 1202.5331 1218.0252 1231.5234 1233.9358 1240.5065 1329.9109 1349.0605 1351.5474 1373.4912 1385.9581 1387.2800 1419.4004 1438.0218 1468.8161 1468.8957 1473.3330 1482.1130 1484.7086 1500.3842 1516.0785 1535.3219 1658.4143 1670.1479 1694.1232 1725.2678 1808.6529 1858.2789 1875.3076 1891.4138 2940.5953 2947.4694 3058.4280 3062.0583 3153.6648 3165.3620 3201.0478 3201.0931 3226.8041 3242.0112 3242.7283 3253.1781 3256.2006 3274.3161 2.4974 4.8791 5.8513 7.2358 7.5046 7.1429 5.1815 4.9315 4.3912 3.7118 3.9179 5.0891 3.2761 4.5799 1.3397 1.3142 5.2961 3.6104 3.3564 5.3761 6.4901 4.1967 4.5784 3.8981 7.4400 6.9786 4.1617 4.9022 7.2803 2.7372 3.9099 4.0993 6.1683 2.3610 4.5158 6.3471 5.0326 1.9369 2.0794 6.0074 4.5823 5.5150 4.0236 4.8486 6.4083 2.8025 5.5657 1.2560 1.7430 3.1451 3.9594 3.0100 1.4764 1.8323 1.7461 1.5758 1.3550 4.2409 3.6268 2.4062 5.3370 1.8091 1.5956 1.8319 1.0975 1.3768 1.3007 2.0187 4.0612 1.5758 1.2290 5.4786 2.7627 5.9569 3.5361 8.0827 1.4970 1.2398 1.2365 1.2679 1.5925 1.0438 1.0407 1.1962 1.1485 1.0758 1.7443 2.5632 2.3268 6.4650 6.6951 11.2913 5.6885 11.4209 11.9897 11.1101 10.9453 1.0869 1.0874 1.0327 1.0317 1.1072 1.1080 1.1079 1.1077 1.0910 1.0908 1.0934 1.0997 1.0970 1.0993 0.5362 0.0016 0.0027 0.0055 0.0076 0.0095 0.0149 0.0165 0.0200 0.0225 0.0263 0.0379 0.0300 0.0475 0.0173 0.0219 0.0952 0.0689 0.0747 0.1296 0.1972 0.1579 0.1995 0.1801 0.4277 0.4512 0.3344 0.4245 0.6644 0.2654 0.4976 0.6665 1.0958 0.4763 1.1266 1.6523 1.3674 0.5574 0.6167 1.8711 1.4683 1.7816 1.3267 1.7554 2.3395 1.0644 2.1910 0.5909 0.8830 1.7093 2.2327 1.7126 0.8512 1.1153 1.0892 0.9830 0.8779 2.7846 2.4294 1.6539 3.7259 1.2827 1.1512 1.3738 0.8947 1.1356 1.0744 1.7005 3.4601 1.3774 1.0982 4.9148 2.5048 6.2075 3.7918 8.6990 1.6639 1.4031 1.4021 1.5050 1.9402 1.3268 1.3229 1.5298 1.4864 1.3973 2.3135 3.4711 3.2315 10.4763 11.0031 19.0934 9.9760 22.0121 24.3939 23.0203 23.0702 5.5374 5.5659 5.6916 5.6992 6.4878 6.5410 6.6887 6.6876 6.6927 6.7552 6.7738 6.8574 6.8530 6.9442 66.7604 0.2727 1.7589 2.3898 1.6587 0.0759 0.8427 0.8721 3.1837 6.7022 5.2831 4.4232 5.1646 3.3185 0.4088 3.3433 2.0415 4.0355 13.3748 8.2353 5.4011 0.4532 4.2953 9.1833 6.1082 2.8375 2.9444 4.4184 20.6036 2.0704 0.1940 7.4132 3.3816 13.0121 12.5923 0.3854 86.0626 35.9649 4.5468 12.7009 10.4136 8.7227 54.8676 29.7180 50.7060 7.2523 6.6777 0.4906 24.4835 0.6738 2.4938 1.1295 1.2348 2.1334 0.8911 2.5941 0.2703 7.0141 47.9450 37.1807 7.0129 10.4972 3.8531 3.2779 4.4172 31.5886 1.1885 149.6383 204.1611 11.1786 8.1902 0.9689 413.6750 206.2397 6.0297 34.8674 4.5923 3.2652 7.0986 130.6057 203.2330 2.4016 14.6433 38.7113 79.4886 16.5452 201.0304 58.7657 16.5494 64.7044 4.1831 9.8311 29.0599 6.8900 414.2385 40.4696 377.7310 115.9745 85.7825 36.4449 29.4538 17.5664 10.5024 7.6257 12.6789 2.2368 1.6840 3.9915 5.2382 0.6877 18.2953 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.02 0.02 0.05 0.00 -0.03 -0.02 0.06 -0.08 -0.03 0.03 -0.02 -0.02 0.54 -0.75 0.07 -0.19 0.27 0.05 0.07 -0.08 0.02 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 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 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 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.07 -0.11 -0.04 0.10 -0.15 -0.06 0.06 -0.13 -0.03 -0.02 -0.06 0.02 -0.05 -0.02 0.04 0.10 -0.13 -0.06 0.16 -0.21 -0.10 0.08 -0.17 -0.05 -0.05 -0.04 0.05 -0.11 0.04 0.08 0.01 -0.01 -0.03 -0.02 0.02 -0.02 -0.01 -0.02 0.01 0.00 -0.04 0.00 0.02 -0.03 -0.02 -0.04 0.01 0.01 -0.03 -0.04 0.03 0.01 -0.02 0.05 -0.00 -0.04 0.06 -0.04 0.05 -0.03 -0.07 0.06 -0.01 0.04 -0.01 -0.06 0.06 -0.02 -0.07 -0.03 0.06 -0.07 0.03 -0.00 -0.08 -0.02 0.03 0.02 0.04 -0.01 0.07 0.04 0.03 0.06 0.03 -0.03 0.01 -0.13 0.17 -0.01 0.06 -0.04 0.09 -0.19 0.26 -0.04 -0.22 0.22 0.07 -0.28 0.37 -0.05 -0.13 0.26 -0.15 0.07 -0.02 0.11 0.09 0.03 0.14 0.09 -0.07 0.12 0.03 -0.01 0.07 -0.00 0.01 -0.10 0.01 0.02 -0.13 0.04 0.04 -0.14 0.06 0.04 -0.11 0.06 0.02 -0.08 -0.03 -0.01 -0.09 -0.01 0.02 -0.15 0.05 0.06 -0.16 0.09 0.05 -0.11 0.08 0.01 -0.06 -0.01 -0.03 -0.00 0.02 -0.00 0.02 0.01 -0.01 -0.04 0.02 0.00 -0.07 -0.01 -0.04 -0.04 0.03 0.00 0.00 0.01 -0.03 -0.02 0.02 -0.01 0.02 0.07 0.03 -0.02 0.03 0.03 0.07 0.03 0.03 0.08 -0.03 -0.05 0.01 -0.05 -0.07 -0.02 0.04 0.04 0.10 -0.04 -0.06 0.06 0.03 -0.02 0.11 -0.05 -0.04 -0.02 -0.11 -0.08 0.01 0.05 -0.15 0.17 0.03 0.15 0.12 -0.06 -0.01 -0.10 0.04 0.18 0.21 0.05 0.13 0.36 0.04 0.33 0.21 0.03 0.10 0.15 -0.13 -0.03 -0.15 -0.18 -0.10 -0.16 -0.15 0.03 -0.21 -0.10 -0.05 -0.12 0.00 -0.13 -0.11 -0.00 -0.13 -0.09 -0.09 -0.07 -0.02 -0.16 0.00 0.02 -0.15 0.00 0.00 0.07 -0.17 -0.16 0.06 -0.19 -0.13 -0.10 -0.07 -0.01 -0.23 0.06 0.08 -0.21 0.06 0.04 -0.05 0.00 -0.03 -0.06 -0.01 -0.04 -0.05 -0.07 -0.09 -0.07 -0.06 -0.07 -0.04 -0.05 -0.07 -0.05 -0.07 -0.08 -0.00 -0.07 -0.08 0.09 0.01 0.00 0.14 -0.05 -0.01 -0.05 0.06 0.03 -0.09 0.01 -0.05 -0.08 0.09 0.04 -0.02 0.05 -0.00 -0.01 0.17 0.15 -0.16 0.21 0.15 0.08 0.03 0.02 0.09 0.01 0.00 0.06 0.06 0.02 0.03 0.08 0.03 0.14 -0.03 0.03 0.14 -0.06 -0.01 0.16 -0.04 0.06 0.14 -0.02 -0.00 0.21 -0.10 0.07 0.13 -0.02 0.13 0.14 -0.07 -0.02 0.17 0.00 0.03 0.20 -0.16 -0.03 0.05 -0.08 -0.06 -0.10 0.06 0.08 -0.16 0.13 0.14 -0.13 0.11 0.11 -0.02 0.00 0.03 0.04 -0.07 -0.02 -0.12 0.07 0.10 -0.24 0.21 0.21 -0.18 0.17 0.16 0.01 -0.02 0.00 0.12 -0.15 -0.09 0.05 -0.04 -0.04 0.01 0.03 0.01 0.02 -0.07 -0.01 -0.00 -0.04 0.01 0.06 -0.09 -0.06 -0.01 -0.01 0.01 0.03 -0.10 0.02 0.02 -0.07 -0.02 0.01 -0.06 -0.02 -0.03 0.20 0.07 -0.15 0.17 0.04 0.05 -0.09 -0.08 0.04 -0.12 -0.13 0.06 0.40 0.14 0.07 -0.13 -0.06 -0.00 -0.03 -0.04 0.04 -0.09 -0.03 0.06 -0.10 -0.03 -0.01 -0.01 -0.04 -0.03 -0.00 -0.04 0.04 -0.08 -0.02 -0.07 0.06 -0.06 -0.11 0.05 -0.04 -0.10 0.08 -0.06 -0.04 0.09 -0.09 0.04 -0.08 -0.02 0.06 -0.06 -0.00 0.06 -0.11 -0.01 0.02 -0.08 -0.03 -0.08 0.07 0.00 -0.14 0.16 0.03 -0.08 0.16 0.01 0.03 0.06 -0.05 0.09 -0.02 -0.07 -0.12 0.07 0.02 -0.22 0.23 0.07 -0.13 0.23 0.03 0.08 0.06 -0.07 0.18 -0.10 -0.11 0.05 0.01 -0.03 0.03 -0.01 -0.05 0.04 -0.05 -0.05 0.03 -0.02 -0.05 0.06 -0.03 -0.04 0.03 -0.04 -0.06 0.04 -0.08 -0.02 0.00 -0.10 0.05 -0.00 -0.12 0.06 0.04 -0.06 -0.07 0.09 -0.05 -0.06 0.06 0.17 0.02 0.20 0.11 0.01 0.01 -0.13 -0.10 -0.05 0.37 0.09 -0.01 -0.08 0.03 0.01 -0.09 0.06 0.01 -0.06 0.06 0.02 -0.12 0.02 -0.08 -0.00 0.02 0.03 -0.12 0.07 -0.12 0.06 -0.01 -0.14 0.04 0.07 -0.19 0.14 -0.02 -0.08 0.06 -0.09 0.04 -0.10 0.08 0.05 -0.08 0.10 0.05 -0.13 0.09 0.02 -0.10 0.06 -0.14 0.06 0.06 -0.07 0.02 -0.04 0.09 -0.08 -0.16 0.17 -0.13 -0.16 0.09 -0.09 -0.06 -0.26 0.12 0.14 -0.14 0.07 -0.03 0.16 -0.12 -0.24 0.30 -0.21 -0.26 0.16 -0.13 -0.06 -0.06 0.02 0.03 -0.09 0.04 0.05 -0.08 -0.00 0.07 -0.05 -0.00 0.04 -0.05 -0.00 0.05 -0.10 0.03 0.08 -0.06 -0.02 0.10 0.01 0.04 0.03 0.00 0.06 0.03 -0.12 0.08 0.02 -0.14 0.15 0.12 -0.02 0.04 -0.01 0.01 0.06 0.04 -0.13 0.03 -0.12 0.00 0.03 -0.09 0.02 0.04 0.03 0.06 -0.02 0.01 0.11 -0.08 -0.01 0.00 0.06 0.04 0.05 0.00 0.04 0.05 -0.00 0.02 0.08 -0.04 0.06 0.10 -0.03 0.03 0.12 -0.08 0.07 0.05 -0.05 0.11 0.09 -0.05 0.02 0.13 -0.04 -0.00 0.11 -0.08 0.03 0.07 -0.08 0.05 -0.04 -0.00 0.03 -0.05 -0.01 0.06 -0.04 -0.06 0.03 -0.01 -0.10 -0.03 -0.00 -0.09 -0.05 -0.05 0.03 0.05 -0.07 0.03 0.11 -0.04 -0.07 0.05 0.00 -0.15 -0.06 0.01 -0.11 -0.09 -0.00 -0.06 -0.06 -0.00 -0.04 -0.04 -0.00 -0.04 -0.05 -0.02 -0.04 -0.03 0.00 -0.07 -0.07 -0.00 -0.03 -0.04 0.03 -0.05 -0.03 0.06 -0.01 -0.00 0.05 -0.01 -0.00 0.01 -0.03 -0.01 0.02 -0.04 -0.03 -0.01 -0.05 -0.04 0.05 -0.12 -0.13 0.01 -0.02 0.04 -0.08 0.05 0.07 0.06 -0.00 -0.01 0.05 0.01 0.01 0.15 -0.11 -0.03 0.06 -0.01 -0.00 0.04 0.03 -0.01 -0.09 0.20 0.07 0.02 0.07 -0.01 -0.00 0.05 0.02 0.01 0.10 -0.01 0.04 0.08 -0.03 -0.12 0.31 0.11 -0.20 0.19 0.07 -0.24 0.47 0.16 0.06 0.37 0.12 0.03 -0.09 -0.05 0.02 -0.03 -0.07 -0.03 0.09 0.00 -0.04 0.13 0.08 -0.01 0.06 0.09 0.06 -0.18 -0.10 0.03 -0.08 -0.14 -0.05 0.15 0.00 -0.07 0.23 0.14 -0.02 0.09 0.14 0.03 -0.06 0.02 -0.01 0.05 0.11 0.01 -0.07 0.07 0.02 -0.04 0.03 0.04 -0.12 -0.00 -0.02 0.05 0.14 -0.02 -0.10 0.10 0.02 -0.04 -0.04 0.02 -0.02 -0.05 -0.02 0.10 0.15 0.05 0.31 0.44 0.09 -0.05 -0.04 0.23 -0.16 -0.14 -0.09 -0.08 -0.12 0.00 0.10 0.01 -0.00 0.01 -0.03 0.02 -0.06 -0.05 0.05 -0.11 -0.06 -0.06 0.08 -0.03 0.04 -0.03 -0.02 -0.03 0.02 -0.05 0.00 0.04 -0.01 -0.10 0.07 -0.10 0.06 -0.04 -0.00 0.01 0.15 0.08 -0.05 0.02 -0.06 -0.09 -0.05 -0.10 -0.10 0.11 -0.07 0.03 0.02 -0.02 0.01 0.03 0.02 0.04 -0.01 0.00 0.07 -0.05 -0.04 0.06 -0.05 -0.04 0.03 -0.01 -0.01 -0.01 0.06 0.05 0.04 -0.00 0.01 0.10 -0.09 -0.06 0.09 -0.08 -0.07 0.04 -0.01 -0.02 0.04 -0.03 -0.05 0.03 -0.03 -0.05 0.03 0.01 -0.00 0.01 0.02 0.01 0.03 -0.01 -0.03 0.02 -0.01 -0.02 0.01 0.00 0.01 -0.02 -0.04 0.01 0.01 -0.07 0.00 0.03 -0.05 -0.06 0.01 -0.14 -0.19 0.04 -0.04 -0.06 0.09 -0.13 -0.16 0.06 0.02 0.06 -0.03 0.03 0.05 -0.06 0.04 0.02 -0.03 -0.03 0.01 -0.04 -0.02 0.02 -0.19 0.23 0.01 0.05 -0.10 0.05 -0.02 -0.04 0.01 -0.07 0.10 0.06 -0.38 0.18 -0.26 0.13 -0.19 0.08 -0.05 0.45 0.35 -0.04 -0.03 0.00 -0.04 -0.02 0.02 -0.03 -0.04 -0.00 -0.05 -0.03 -0.01 -0.03 -0.09 -0.06 -0.05 -0.02 -0.11 -0.03 0.08 -0.06 0.01 0.10 0.01 0.03 0.01 0.04 -0.06 -0.16 -0.07 -0.08 -0.03 -0.17 -0.05 0.15 -0.09 0.03 0.18 0.04 0.07 0.00 0.10 0.00 0.03 0.10 0.00 -0.09 -0.01 -0.00 -0.08 0.03 0.00 -0.08 0.02 0.01 0.01 0.11 -0.01 -0.14 -0.03 0.01 -0.05 -0.02 0.00 -0.02 -0.01 0.02 -0.03 -0.01 -0.04 -0.08 -0.10 -0.18 -0.23 -0.29 0.00 0.13 0.16 -0.13 0.36 0.44 0.04 0.10 -0.00 0.13 -0.02 -0.10 -0.01 0.00 -0.00 0.00 -0.02 -0.01 0.04 -0.05 -0.02 -0.04 0.04 -0.00 0.02 -0.02 0.00 -0.03 0.03 0.01 -0.01 0.04 0.02 -0.10 0.06 -0.05 0.05 -0.02 0.02 -0.00 0.13 0.09 -0.05 0.08 0.03 -0.08 0.04 0.02 -0.09 0.13 0.04 0.02 0.10 0.02 -0.08 -0.02 0.06 -0.06 0.00 -0.02 0.04 0.01 -0.06 0.10 0.01 -0.01 0.06 -0.02 0.08 -0.15 -0.04 0.08 -0.11 0.01 -0.06 0.08 0.02 -0.13 0.17 0.02 -0.03 0.11 -0.03 0.12 0.02 -0.09 -0.01 -0.03 -0.07 -0.00 -0.01 -0.07 0.10 -0.02 -0.04 0.10 0.03 -0.10 0.05 -0.05 -0.07 0.06 0.02 -0.03 0.08 0.08 0.00 0.02 0.08 -0.01 0.02 -0.07 -0.05 -0.05 -0.15 -0.13 -0.15 0.08 -0.08 -0.06 0.23 -0.21 -0.20 -0.02 0.06 0.01 -0.02 0.08 0.04 0.07 0.01 -0.01 -0.01 0.07 0.03 -0.17 0.22 0.10 0.11 0.00 -0.04 0.01 0.00 -0.03 0.07 -0.02 -0.06 -0.00 -0.01 -0.11 0.05 -0.02 -0.07 -0.10 0.02 -0.13 0.03 -0.05 -0.21 -0.11 0.09 -0.11 -0.18 0.17 0.08 -0.03 0.02 -0.19 -0.24 0.16 -0.25 -0.00 -0.02 -0.02 -0.04 0.00 0.04 -0.05 -0.04 0.03 -0.02 -0.09 -0.04 0.01 -0.09 -0.09 0.00 0.01 -0.01 -0.07 0.05 0.10 -0.08 -0.02 0.07 -0.03 -0.12 -0.06 0.03 -0.12 -0.13 -0.01 0.03 0.04 0.02 0.03 0.05 0.02 -0.05 -0.08 0.02 -0.06 -0.08 -0.01 -0.02 -0.03 0.04 -0.02 -0.03 0.02 -0.07 -0.09 0.04 -0.02 0.02 0.09 -0.09 0.02 0.05 0.10 0.15 0.13 0.30 0.42 -0.04 0.07 0.10 -0.15 0.21 0.26 -0.02 -0.06 -0.06 0.05 -0.05 -0.05 0.04 -0.01 0.01 -0.00 0.03 0.03 -0.09 0.12 0.07 0.02 0.05 -0.01 0.04 -0.05 0.01 0.04 -0.03 -0.01 -0.03 0.06 -0.03 -0.21 0.12 -0.22 0.05 -0.11 -0.01 -0.00 0.28 0.13 -0.05 0.05 -0.02 -0.09 0.11 0.09 -0.01 0.01 -0.05 -0.12 0.10 -0.11 -0.01 -0.03 0.01 -0.03 0.00 0.01 -0.01 0.01 0.01 0.03 -0.02 -0.00 0.04 -0.04 -0.00 -0.02 -0.04 0.01 -0.06 0.02 0.02 -0.02 0.04 0.01 0.05 -0.01 -0.01 0.07 -0.07 -0.01 0.02 -0.03 0.00 0.01 -0.01 0.02 0.01 -0.04 0.01 0.02 -0.05 0.00 0.02 -0.04 0.01 0.01 -0.02 0.02 -0.04 -0.03 -0.04 -0.09 -0.04 -0.16 -0.09 -0.05 -0.16 0.01 0.01 0.03 0.01 0.05 0.08 0.05 -0.03 -0.02 0.10 -0.07 -0.06 0.00 -0.00 -0.01 0.01 0.02 0.00 -0.09 -0.03 -0.08 -0.05 0.04 -0.11 -0.04 0.21 -0.13 -0.16 -0.09 0.00 0.03 0.07 -0.04 -0.01 -0.06 0.03 0.11 0.04 0.19 0.14 -0.02 0.35 0.22 0.20 0.19 0.02 -0.10 0.20 0.09 0.08 0.16 0.19 0.25 0.25 0.13 -0.07 0.31 0.05 0.17 0.03 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.02 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.01 0.01 -0.01 0.01 0.03 -0.04 0.01 0.02 0.01 0.02 0.03 0.03 0.05 0.00 0.01 0.01 -0.00 0.03 0.04 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.03 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.06 0.11 -0.00 0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.22 -0.17 0.50 -0.30 0.45 -0.04 0.09 -0.34 -0.46 -0.03 0.00 -0.01 -0.05 -0.00 0.01 -0.02 0.01 -0.02 -0.03 0.01 -0.02 -0.02 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.03 -0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.02 -0.02 0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.02 -0.01 0.00 0.01 -0.02 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.03 0.03 0.02 0.06 0.02 0.00 -0.02 0.06 -0.00 -0.01 0.01 -0.01 0.04 0.01 0.03 -0.06 0.01 -0.00 -0.00 -0.02 0.03 0.00 -0.04 0.05 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.03 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.02 -0.01 0.01 0.01 -0.01 0.05 -0.04 0.01 -0.07 -0.47 -0.36 -0.25 0.39 0.06 0.52 -0.12 0.33 -0.03 -0.00 -0.01 -0.03 -0.01 -0.02 -0.02 -0.02 -0.02 -0.02 -0.01 -0.02 -0.03 -0.00 -0.01 -0.04 -0.00 -0.01 -0.02 -0.01 -0.02 -0.01 -0.03 -0.03 -0.02 -0.01 -0.02 -0.04 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.03 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.04 0.01 -0.00 0.00 0.00 0.02 -0.01 0.01 0.02 0.07 -0.06 0.14 0.21 -0.04 0.12 0.10 0.05 -0.11 0.24 0.04 -0.05 0.02 -0.12 0.29 0.10 0.12 -0.28 -0.04 0.06 0.01 0.01 -0.02 0.02 0.03 -0.05 0.01 -0.01 0.03 0.01 -0.10 0.13 -0.00 0.01 -0.01 0.00 0.03 -0.09 -0.00 0.16 -0.02 -0.18 0.13 -0.29 0.01 -0.09 -0.14 0.16 -0.04 0.02 -0.02 0.03 0.27 0.20 0.14 -0.24 -0.06 -0.34 0.05 -0.19 0.04 -0.05 -0.03 -0.00 -0.00 0.01 -0.03 0.03 0.03 0.02 -0.01 -0.01 0.05 -0.06 -0.04 0.05 -0.06 -0.04 -0.02 0.02 0.02 -0.07 0.08 0.07 0.01 -0.00 0.00 0.08 -0.08 -0.06 0.02 -0.00 0.00 0.02 0.00 -0.00 0.02 -0.03 -0.02 0.05 -0.06 -0.04 0.02 -0.01 -0.01 0.02 -0.01 -0.01 -0.07 -0.02 -0.03 0.01 -0.02 0.03 0.02 -0.04 0.03 -0.00 0.02 -0.04 -0.04 0.01 -0.04 -0.01 -0.02 0.03 -0.04 -0.04 -0.02 0.01 0.03 -0.09 -0.02 -0.04 0.09 -0.07 0.12 0.01 0.02 -0.03 0.03 -0.01 -0.01 0.05 -0.04 0.10 0.00 -0.15 0.22 -0.00 0.05 -0.06 0.00 0.07 -0.15 0.01 0.31 -0.05 -0.22 0.21 -0.41 0.03 -0.13 -0.29 0.23 -0.04 0.03 -0.01 -0.20 -0.19 -0.08 -0.20 0.27 -0.01 0.19 0.06 0.06 0.02 -0.06 -0.03 -0.02 -0.01 -0.01 -0.03 0.03 0.02 0.02 -0.01 -0.01 0.05 -0.06 -0.02 0.02 -0.08 -0.04 -0.05 0.01 0.00 -0.07 0.09 0.05 0.02 0.01 0.00 0.08 -0.08 -0.03 0.00 -0.03 0.01 0.02 -0.04 0.00 0.01 -0.04 -0.02 0.04 -0.07 -0.02 -0.00 -0.00 0.02 0.03 -0.06 -0.01 -0.05 0.06 -0.09 0.02 0.01 0.01 0.02 0.01 0.01 0.01 0.01 0.02 -0.02 0.05 0.09 0.02 -0.04 -0.02 0.09 -0.10 -0.07 0.03 0.03 -0.05 -0.02 0.02 0.02 0.00 0.03 0.01 -0.07 0.10 0.03 -0.03 0.01 0.02 0.01 0.04 0.00 -0.02 0.03 0.01 -0.16 0.24 0.05 0.01 -0.02 -0.01 0.05 -0.01 -0.04 -0.00 -0.05 -0.01 -0.01 -0.04 -0.01 0.07 -0.15 -0.01 0.38 0.11 -0.08 0.32 -0.50 -0.06 -0.28 -0.36 0.08 0.07 -0.13 -0.07 -0.03 -0.01 -0.01 -0.08 0.10 0.06 0.04 -0.01 -0.00 0.12 -0.13 -0.06 0.08 -0.18 -0.10 -0.08 0.03 0.00 -0.19 0.24 0.15 0.04 0.04 0.02 0.19 -0.17 -0.07 0.02 0.17 -0.00 -0.10 0.19 -0.01 -0.04 0.01 0.03 0.09 -0.14 -0.06 0.05 0.08 0.01 -0.12 0.12 0.02 -0.13 -0.06 0.00 -0.00 0.03 0.01 0.02 0.00 0.01 -0.09 -0.03 -0.10 0.04 -0.22 -0.41 0.05 0.01 -0.09 0.01 -0.11 -0.31 -0.15 -0.12 0.17 0.06 -0.08 0.07 0.02 -0.00 0.01 0.00 0.02 0.00 -0.01 0.02 0.01 0.02 0.02 -0.00 0.05 -0.06 0.01 0.01 0.00 -0.00 -0.01 0.04 -0.00 -0.07 0.01 0.05 -0.06 0.10 -0.01 0.05 0.07 -0.07 0.02 -0.01 -0.00 -0.00 -0.07 -0.05 -0.02 0.05 -0.00 0.08 -0.02 0.04 -0.21 0.01 0.07 -0.12 -0.04 -0.07 0.00 -0.09 -0.15 -0.04 0.01 0.00 -0.13 0.04 0.13 -0.30 -0.01 0.10 -0.13 -0.07 -0.14 0.12 -0.18 -0.31 0.03 0.04 -0.01 -0.14 0.08 0.19 0.15 0.14 -0.05 0.02 0.12 -0.09 0.05 -0.06 -0.04 -0.13 -0.00 0.12 0.18 0.02 -0.06 -0.01 -0.04 -0.13 0.11 -0.02 -0.02 0.02 -0.04 -0.01 0.02 -0.05 -0.01 0.06 0.10 0.00 0.27 0.21 0.11 0.10 0.06 0.02 -0.09 0.06 -0.10 -0.04 -0.10 0.03 0.16 -0.12 0.22 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.03 0.05 -0.02 -0.05 0.05 0.01 0.02 -0.02 -0.00 0.07 -0.01 -0.04 0.05 -0.06 0.00 -0.02 -0.06 0.04 0.01 -0.03 0.00 0.07 0.00 -0.03 0.04 -0.08 -0.00 -0.04 -0.08 0.04 -0.01 -0.07 0.01 -0.02 -0.02 -0.03 -0.01 0.04 -0.01 0.03 0.03 0.02 0.04 -0.04 0.04 -0.04 -0.09 0.01 -0.05 -0.03 -0.07 -0.03 0.09 -0.02 0.06 0.07 0.03 0.09 -0.06 0.06 -0.05 0.08 0.04 0.01 -0.07 -0.08 -0.01 0.05 -0.03 0.01 -0.06 0.04 -0.07 0.23 0.16 0.03 -0.15 -0.17 -0.01 0.18 -0.18 -0.05 0.07 0.02 -0.03 0.09 0.00 0.05 0.07 0.10 0.11 0.29 0.40 0.02 -0.08 -0.12 0.19 -0.32 -0.40 0.03 0.01 -0.04 -0.05 0.01 0.01 -0.01 0.01 0.04 0.00 0.00 -0.02 0.04 -0.02 -0.03 0.00 -0.01 0.05 -0.00 -0.05 0.05 0.05 -0.07 -0.02 -0.05 -0.01 -0.01 -0.07 -0.01 -0.02 -0.10 -0.01 -0.02 -0.00 0.03 -0.05 -0.01 0.05 0.01 -0.07 0.03 0.06 -0.05 0.10 0.03 0.04 0.12 -0.06 -0.06 0.04 -0.09 -0.07 -0.01 -0.04 -0.12 -0.08 -0.05 -0.15 -0.08 -0.08 -0.14 -0.02 -0.11 -0.06 0.05 -0.09 -0.03 0.00 0.02 -0.12 -0.12 -0.03 -0.17 -0.11 -0.09 -0.21 0.01 -0.16 0.02 0.05 0.17 0.07 0.05 0.17 0.00 0.03 0.02 -0.05 0.04 -0.10 0.00 0.05 0.10 0.08 0.03 0.13 -0.07 0.03 -0.01 -0.01 0.03 0.00 0.00 0.05 -0.01 0.03 -0.07 -0.05 -0.12 -0.25 -0.27 0.16 -0.08 -0.02 0.40 -0.34 -0.29 0.09 0.04 -0.07 0.09 0.03 0.05 0.01 0.01 0.03 -0.01 0.00 -0.02 -0.00 0.00 -0.02 0.01 -0.01 0.03 0.00 -0.02 0.03 0.01 -0.02 -0.02 -0.02 -0.01 -0.03 -0.02 0.00 -0.04 -0.06 -0.02 -0.03 0.01 0.02 -0.05 0.02 0.02 0.01 0.01 0.03 0.02 0.00 0.02 0.04 0.04 0.05 -0.02 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 0.00 0.01 0.01 0.01 0.02 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.02 0.01 -0.00 0.02 0.01 0.01 0.03 -0.01 0.01 0.01 -0.02 -0.03 -0.00 0.00 -0.01 0.01 -0.02 -0.00 0.00 -0.00 0.01 0.01 -0.04 -0.04 -0.01 0.02 0.01 -0.00 0.00 0.01 0.04 0.01 -0.03 0.15 0.12 -0.13 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.02 0.02 0.02 -0.07 0.09 0.09 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.06 0.06 0.14 -0.08 -0.05 -0.13 -0.12 -0.04 -0.11 0.04 0.05 0.16 0.01 0.03 0.13 -0.08 -0.07 -0.08 -0.03 -0.04 -0.18 0.07 0.02 -0.32 -0.25 -0.19 -0.20 0.06 -0.00 -0.30 0.13 0.07 0.12 0.27 0.21 0.10 0.10 -0.03 0.37 0.22 0.17 0.04 -0.01 -0.03 0.00 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.05 -0.00 -0.04 0.01 0.00 -0.01 0.02 -0.01 0.04 -0.01 -0.01 0.01 -0.01 0.03 0.03 -0.04 -0.05 0.02 0.01 -0.01 0.01 -0.03 -0.01 0.00 -0.03 0.01 0.03 -0.06 -0.06 0.00 0.04 0.04 -0.09 0.05 -0.01 -0.03 -0.02 -0.05 -0.04 -0.00 -0.04 0.02 -0.00 -0.02 0.03 -0.02 -0.04 -0.01 0.02 0.03 -0.08 0.11 0.13 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.09 -0.03 0.13 0.12 0.11 -0.02 0.26 0.21 -0.10 -0.20 -0.12 0.25 -0.09 -0.07 0.15 0.13 0.13 -0.03 -0.16 -0.10 -0.06 -0.12 -0.07 -0.15 -0.31 -0.19 -0.08 -0.09 -0.05 -0.15 -0.02 0.02 -0.20 -0.12 -0.10 -0.21 0.00 0.10 -0.39 -0.08 -0.07 -0.13 -0.12 -0.18 0.01 -0.14 -0.08 -0.08 -0.10 0.01 -0.06 0.02 -0.03 0.03 0.02 -0.13 0.12 -0.21 -0.28 0.01 -0.21 -0.09 -0.14 -0.13 0.11 -0.10 0.13 0.05 0.04 0.05 -0.13 0.16 -0.00 -0.02 -0.11 0.11 0.08 -0.01 -0.01 0.11 0.06 -0.03 -0.13 0.13 -0.01 0.08 -0.05 0.07 0.27 0.14 -0.10 0.07 0.08 -0.01 0.03 0.02 -0.06 0.08 0.03 0.22 -0.02 -0.05 0.22 -0.05 -0.09 -0.15 0.02 -0.01 -0.25 0.16 0.15 0.24 0.01 -0.05 -0.13 0.01 -0.08 0.00 0.01 -0.02 -0.01 -0.00 0.00 -0.03 -0.03 0.02 0.04 0.01 -0.04 0.01 -0.02 -0.02 0.01 -0.03 -0.01 0.01 0.01 0.03 -0.03 -0.00 0.07 0.04 0.05 0.04 -0.00 0.02 0.05 0.01 0.01 0.01 0.01 0.02 0.03 0.00 0.00 0.03 0.02 0.03 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.02 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.02 0.02 -0.03 -0.02 -0.00 -0.02 -0.02 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.04 0.07 0.00 0.04 0.01 0.05 0.01 0.06 0.05 -0.01 0.00 0.01 -0.01 0.03 0.04 0.02 0.01 0.01 -0.00 0.03 0.05 -0.01 -0.00 0.00 0.02 0.00 0.02 -0.03 -0.02 0.03 0.03 0.03 -0.03 -0.07 -0.05 0.03 0.08 0.04 -0.08 -0.16 -0.10 0.01 0.05 0.07 -0.16 -0.16 -0.08 0.22 -0.23 -0.12 0.33 0.00 0.04 0.24 -0.23 -0.10 0.32 0.20 0.15 -0.07 0.31 0.24 -0.08 0.18 0.07 0.11 0.26 0.20 -0.10 -0.04 0.01 0.10 -0.00 0.00 0.04 0.12 -0.02 -0.03 0.02 0.09 0.08 0.03 0.02 0.08 -0.08 0.06 0.14 -0.06 0.02 0.00 0.21 -0.09 -0.14 -0.00 0.15 0.12 0.07 0.02 0.13 -0.10 0.17 0.17 0.03 0.20 0.23 0.05 -0.09 -0.16 0.03 -0.08 0.01 -0.06 -0.09 -0.14 0.10 -0.07 -0.09 0.08 -0.11 -0.17 0.01 -0.01 -0.00 0.08 -0.12 -0.00 0.01 -0.02 -0.03 -0.10 -0.30 -0.42 -0.08 -0.03 -0.04 0.10 -0.24 -0.28 0.01 -0.01 -0.02 -0.09 0.00 -0.09 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 0.01 0.02 -0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.01 0.02 -0.03 -0.02 0.02 0.03 0.02 -0.01 0.05 0.04 -0.02 0.03 0.01 0.01 0.03 0.02 -0.01 0.01 -0.01 -0.00 -0.02 0.02 0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.02 0.02 0.02 -0.03 -0.01 -0.04 0.04 0.03 0.03 -0.02 -0.02 0.02 -0.01 -0.01 -0.04 0.05 0.05 0.00 -0.00 0.00 0.00 0.01 0.02 0.01 -0.03 -0.03 0.01 -0.01 -0.00 0.00 -0.03 -0.03 0.01 -0.01 -0.00 -0.04 0.06 -0.05 0.02 0.01 -0.01 0.17 0.20 -0.16 -0.00 -0.00 -0.00 -0.01 -0.03 -0.04 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.07 0.04 0.12 -0.10 -0.03 -0.11 0.16 0.18 -0.26 0.30 0.16 -0.11 -0.10 -0.05 0.08 -0.10 -0.11 0.09 -0.10 -0.05 0.16 -0.13 -0.07 0.21 -0.04 -0.00 0.17 -0.14 -0.06 0.21 -0.20 -0.14 0.06 -0.28 -0.23 0.06 -0.21 -0.07 -0.03 -0.21 -0.17 0.08 0.11 -0.12 -0.10 -0.11 0.12 0.10 0.01 0.01 -0.00 0.12 -0.11 -0.10 -0.11 0.13 0.12 0.28 -0.30 -0.25 -0.23 0.24 0.20 0.01 0.01 -0.01 0.24 -0.24 -0.22 -0.32 0.33 0.29 -0.01 0.02 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.02 -0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 0.00 0.02 0.02 0.00 0.01 0.00 0.02 0.01 0.01 -0.01 -0.02 0.03 0.01 -0.09 0.11 0.09 0.13 -0.14 -0.12 -0.10 0.10 0.08 -0.03 0.03 0.02 -0.11 0.13 0.10 -0.23 0.26 0.23 0.29 -0.32 -0.27 -0.24 0.24 0.21 -0.14 0.14 0.11 0.02 -0.05 -0.05 -0.01 -0.06 -0.06 0.00 -0.02 -0.01 0.18 -0.18 -0.17 0.01 0.08 0.09 -0.02 0.08 0.06 -0.17 -0.09 -0.08 -0.01 0.00 -0.00 0.05 -0.08 -0.01 -0.02 -0.00 -0.01 0.00 0.06 0.08 -0.00 -0.01 -0.00 -0.04 0.05 0.07 -0.02 0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 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 0.01 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 0.02 0.05 -0.03 0.03 0.01 0.02 0.02 -0.00 0.02 -0.01 0.00 -0.02 -0.01 0.04 -0.05 0.04 0.08 -0.03 0.05 0.02 0.05 0.02 -0.03 0.04 -0.06 -0.04 -0.02 -0.01 0.04 -0.06 -0.04 0.18 0.04 -0.06 0.05 -0.07 -0.08 -0.10 0.18 -0.01 0.03 -0.04 0.04 -0.06 0.13 -0.14 -0.07 0.05 0.11 -0.46 0.28 0.05 -0.10 -0.03 0.29 -0.37 -0.07 0.14 0.00 -0.01 0.25 0.10 0.10 -0.10 0.07 -0.09 -0.15 -0.02 -0.27 0.15 -0.01 -0.03 -0.07 -0.03 -0.02 0.03 -0.05 0.01 0.05 -0.08 -0.03 -0.01 0.05 -0.01 -0.00 0.02 -0.00 -0.02 0.02 0.01 -0.03 0.05 -0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.02 0.01 -0.03 -0.03 0.02 0.01 0.01 -0.01 0.05 0.01 -0.05 0.02 -0.02 -0.01 -0.00 -0.03 0.02 0.00 -0.05 0.05 0.01 -0.02 0.06 0.11 0.04 0.04 0.03 0.06 -0.01 0.02 0.03 -0.02 0.07 0.02 0.06 -0.07 -0.01 0.01 0.13 0.03 0.02 -0.03 0.04 0.01 0.08 0.03 0.07 -0.15 0.06 0.03 -0.13 -0.09 -0.06 -0.16 -0.04 -0.10 -0.06 -0.06 -0.04 -0.16 -0.12 -0.16 -0.15 0.08 0.01 -0.38 0.17 -0.06 -0.04 0.08 0.02 -0.26 0.34 0.06 0.08 -0.14 0.08 0.03 0.00 0.28 0.13 0.12 -0.03 0.19 -0.03 -0.23 0.20 0.04 -0.07 0.19 -0.03 0.13 -0.04 0.07 -0.01 -0.04 0.06 0.02 0.01 -0.03 0.01 0.01 -0.02 -0.00 0.03 -0.02 -0.00 0.02 -0.03 0.00 0.01 0.01 -0.01 -0.02 0.01 -0.00 0.00 0.02 -0.01 0.03 0.04 -0.02 -0.01 -0.00 0.01 -0.03 -0.01 0.03 -0.01 0.01 0.00 0.00 0.02 -0.01 0.01 0.02 -0.02 0.00 0.01 0.01 -0.00 -0.02 0.00 -0.02 -0.00 0.00 0.00 0.02 -0.03 0.01 0.03 -0.02 0.02 0.02 0.04 0.00 -0.03 0.00 -0.04 -0.01 0.01 -0.01 0.02 -0.04 0.06 0.01 -0.04 0.02 0.08 0.02 0.03 -0.13 0.05 0.02 0.01 -0.02 0.08 -0.06 0.03 -0.05 -0.12 0.04 -0.27 0.39 -0.09 -0.03 0.09 0.04 -0.46 0.61 0.09 0.06 0.05 -0.04 0.13 0.03 -0.09 -0.05 -0.01 -0.02 -0.12 0.06 0.04 0.02 -0.02 0.01 -0.05 -0.00 -0.03 -0.04 0.07 -0.01 -0.06 0.09 0.02 0.01 -0.04 0.00 0.01 -0.02 0.00 0.02 -0.03 -0.01 0.02 -0.04 0.00 0.01 0.01 -0.00 -0.03 0.00 0.01 0.00 0.02 -0.01 0.03 0.03 -0.01 -0.01 -0.00 0.01 -0.03 -0.01 0.04 -0.02 0.02 0.01 0.00 0.03 -0.02 0.05 0.07 -0.09 -0.01 0.13 -0.08 -0.16 -0.11 -0.12 -0.03 -0.08 0.13 0.04 -0.10 0.09 -0.09 -0.08 -0.09 0.09 0.17 0.10 -0.13 -0.13 -0.15 0.09 0.10 0.18 -0.08 -0.09 -0.06 -0.05 0.13 0.03 -0.04 -0.10 0.01 0.10 0.10 0.09 0.18 0.06 0.08 0.01 -0.11 -0.08 0.02 -0.00 -0.06 0.16 0.16 0.21 0.03 -0.01 0.03 -0.28 0.40 0.06 -0.07 -0.11 0.09 -0.20 -0.05 0.20 -0.04 0.11 -0.09 -0.11 0.03 -0.26 0.01 0.03 -0.02 0.01 -0.03 0.02 0.02 -0.04 -0.00 0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.02 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.17 0.06 -0.26 -0.22 -0.26 0.06 -0.01 -0.10 0.11 0.19 -0.07 0.28 0.20 0.24 -0.05 -0.12 0.11 -0.27 -0.09 -0.25 0.21 0.01 0.20 -0.20 0.04 -0.21 0.27 0.13 0.27 -0.11 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.09 -0.09 -0.01 0.01 -0.01 0.02 0.02 -0.01 0.02 -0.00 -0.02 -0.00 -0.00 0.00 0.03 -0.04 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.04 0.01 -0.06 -0.02 0.07 -0.01 -0.03 -0.06 -0.06 -0.02 -0.00 0.08 0.04 -0.05 0.02 0.01 -0.05 -0.07 -0.01 0.11 0.08 0.00 -0.09 -0.10 0.00 0.08 0.12 0.02 -0.07 -0.04 -0.08 -0.10 0.14 -0.04 0.13 -0.12 -0.09 0.17 0.12 0.06 0.03 0.03 -0.11 -0.09 -0.07 -0.08 -0.04 -0.12 -0.14 0.06 0.14 0.01 -0.03 0.00 -0.04 0.04 0.00 0.13 0.17 -0.16 0.42 0.23 -0.13 0.08 -0.17 0.21 0.37 -0.22 0.29 0.01 -0.03 0.03 0.03 0.04 -0.02 0.00 -0.01 -0.00 0.01 -0.03 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.08 0.03 0.09 -0.04 -0.09 -0.07 0.02 0.01 0.08 -0.10 -0.03 -0.03 0.03 0.07 -0.29 0.27 0.24 -0.03 0.12 0.09 -0.33 0.30 0.26 -0.05 0.12 0.13 -0.34 0.29 0.26 -0.02 -0.00 0.01 -0.01 0.01 -0.02 0.01 -0.02 -0.01 0.09 -0.04 -0.03 -0.01 -0.03 0.01 -0.02 0.01 -0.01 -0.13 -0.00 -0.11 -0.01 -0.00 -0.03 0.16 -0.23 -0.04 0.01 0.01 -0.01 0.04 0.02 0.00 0.00 -0.00 0.01 0.02 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.04 0.06 -0.00 -0.02 0.05 0.01 -0.00 -0.03 0.00 0.02 -0.02 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.02 -0.01 0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.03 -0.01 0.03 0.02 -0.06 -0.01 0.03 0.03 0.02 0.03 -0.01 -0.06 -0.02 0.03 -0.01 -0.12 0.14 0.14 -0.13 0.06 0.06 -0.11 0.18 0.16 -0.12 0.08 0.05 -0.14 0.16 0.13 0.00 0.02 0.04 0.01 -0.03 -0.03 0.01 -0.00 -0.02 0.00 -0.05 -0.04 0.00 0.02 -0.01 0.01 0.02 0.00 0.16 -0.07 0.21 0.01 -0.00 0.10 -0.44 0.59 0.15 -0.00 0.01 -0.02 0.02 0.04 0.03 -0.00 -0.02 0.03 0.06 -0.07 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.07 -0.13 0.01 0.04 -0.12 -0.00 0.02 0.07 -0.00 -0.04 0.03 -0.00 -0.02 0.03 -0.01 -0.06 0.01 -0.04 0.02 0.01 -0.01 0.05 0.02 -0.02 0.03 -0.01 -0.01 -0.01 -0.02 0.00 0.01 0.01 -0.01 0.07 0.04 -0.06 -0.00 -0.03 0.07 0.04 0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 0.00 0.00 -0.01 0.02 0.01 0.03 -0.03 -0.03 0.05 -0.08 -0.06 0.05 -0.04 -0.05 0.08 -0.09 -0.07 0.05 -0.05 -0.05 0.03 0.12 0.14 0.06 -0.14 -0.12 0.05 -0.06 -0.05 -0.01 0.00 0.00 0.05 0.01 -0.07 0.03 0.06 0.05 -0.13 -0.15 0.15 0.04 0.03 -0.12 -0.13 0.41 -0.16 -0.03 0.01 -0.05 0.02 0.17 0.17 -0.03 -0.04 0.07 0.13 -0.21 -0.12 -0.05 0.00 0.03 -0.04 0.01 -0.05 -0.14 0.32 -0.04 0.22 -0.22 -0.11 -0.13 0.02 0.04 0.05 -0.08 0.05 0.02 -0.09 -0.01 0.02 0.09 0.09 -0.04 -0.03 0.02 -0.15 -0.06 0.07 -0.01 0.05 0.02 -0.02 0.03 0.03 -0.03 -0.02 0.04 -0.07 -0.08 0.03 0.04 -0.01 -0.14 -0.14 -0.12 0.11 -0.01 0.01 0.02 -0.00 0.01 0.00 -0.03 0.02 0.01 -0.01 0.00 0.01 -0.01 0.00 0.02 0.09 -0.10 -0.07 0.15 -0.15 -0.14 0.10 -0.13 -0.11 0.15 -0.15 -0.14 0.10 -0.10 -0.07 0.02 0.15 0.18 0.05 -0.16 -0.18 0.07 -0.09 -0.06 -0.01 0.01 0.01 0.06 -0.04 -0.04 0.01 0.10 0.10 -0.13 -0.05 -0.09 -0.09 -0.06 0.06 -0.02 -0.32 0.12 -0.02 0.02 -0.08 0.08 0.24 0.22 -0.04 -0.04 0.08 0.15 -0.26 -0.16 -0.05 -0.00 0.04 -0.05 0.00 -0.06 -0.04 -0.06 0.02 -0.16 0.15 0.10 0.09 -0.01 -0.01 0.02 0.01 -0.08 0.03 0.03 0.07 -0.02 -0.06 -0.07 0.05 0.03 -0.01 0.10 0.06 -0.09 -0.08 -0.05 -0.03 0.09 0.04 -0.08 0.03 0.02 -0.04 0.07 0.07 -0.04 -0.02 0.01 0.10 0.12 0.10 -0.09 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.02 -0.01 0.05 -0.05 -0.04 0.02 -0.02 -0.02 0.05 -0.06 -0.05 0.02 -0.02 -0.02 -0.03 0.03 0.07 0.00 -0.04 -0.09 0.06 -0.08 -0.05 0.00 -0.00 -0.00 -0.02 -0.04 0.05 -0.02 0.09 0.03 0.24 0.03 -0.10 0.20 0.16 -0.06 0.31 0.21 -0.13 0.01 0.03 -0.06 0.09 0.11 0.04 -0.01 -0.01 0.04 0.10 -0.12 -0.07 -0.01 -0.01 0.02 -0.01 -0.00 -0.01 0.24 -0.12 -0.02 -0.06 0.18 -0.05 -0.07 -0.09 -0.05 -0.10 0.04 0.16 -0.09 -0.01 -0.19 0.09 -0.02 0.08 -0.08 -0.04 0.02 -0.13 -0.10 0.17 0.23 0.12 0.05 -0.23 -0.13 0.20 -0.04 -0.05 0.08 -0.17 -0.12 0.15 -0.02 0.03 -0.11 -0.13 -0.06 0.05 0.01 -0.08 -0.01 -0.03 -0.06 0.04 0.11 -0.02 -0.01 -0.02 0.04 -0.06 0.02 -0.02 -0.08 -0.07 0.10 0.11 -0.36 0.21 0.20 -0.09 0.20 0.18 -0.34 0.26 0.18 -0.10 0.13 0.11 0.08 0.11 0.05 0.05 -0.08 0.01 -0.11 0.22 0.18 -0.06 -0.02 -0.02 0.11 0.02 -0.19 0.04 -0.12 0.05 -0.12 0.15 0.16 0.05 -0.02 -0.05 0.15 -0.14 -0.06 -0.05 -0.04 0.02 -0.08 0.05 0.16 -0.03 -0.01 0.02 -0.04 -0.03 -0.03 -0.03 0.01 0.01 -0.03 0.01 -0.03 0.01 0.01 -0.00 -0.05 0.11 0.00 -0.01 -0.05 -0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.02 0.03 -0.02 0.02 -0.02 -0.01 0.00 -0.02 -0.02 0.02 0.02 0.01 0.01 -0.03 -0.01 0.02 -0.00 -0.00 0.01 -0.05 -0.03 0.04 -0.00 0.02 -0.04 -0.02 -0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.02 0.01 0.03 -0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.02 0.02 0.02 -0.10 0.07 0.06 -0.04 0.07 0.06 -0.09 0.08 0.06 -0.02 0.02 0.02 -0.06 -0.01 -0.00 0.05 -0.03 -0.02 0.03 -0.01 0.00 -0.02 0.01 0.01 -0.06 -0.05 0.05 0.05 0.01 0.03 0.13 0.09 -0.02 -0.13 -0.04 -0.21 -0.37 0.28 -0.20 0.02 0.07 -0.06 0.06 0.06 -0.07 -0.01 0.06 -0.05 -0.01 0.02 -0.11 -0.03 -0.01 0.02 0.02 -0.01 0.02 0.02 -0.20 0.03 0.04 0.05 -0.07 -0.12 -0.09 0.01 0.03 0.06 -0.13 0.02 0.08 0.20 0.15 0.07 0.14 -0.02 -0.01 0.03 0.12 0.06 -0.14 -0.28 -0.20 -0.00 0.06 0.00 -0.12 0.03 0.02 -0.01 -0.14 -0.10 0.06 0.10 0.10 -0.32 -0.14 -0.07 0.02 0.02 -0.05 -0.01 -0.01 -0.00 0.01 0.04 -0.03 -0.03 -0.01 0.01 -0.01 0.02 -0.04 -0.03 -0.01 -0.00 0.02 -0.18 0.15 0.13 -0.08 0.10 0.09 -0.17 0.18 0.14 -0.02 0.02 0.03 -0.18 -0.03 -0.04 0.20 -0.09 -0.04 0.01 0.02 0.02 -0.05 0.03 0.03 -0.19 -0.12 0.07 0.20 -0.06 0.14 0.05 0.06 -0.01 0.04 0.00 0.08 0.15 -0.16 0.08 0.06 0.21 -0.17 0.17 0.19 -0.22 -0.03 0.22 -0.17 -0.06 0.11 -0.35 -0.12 -0.04 0.06 0.08 -0.04 0.08 -0.04 0.11 -0.02 -0.01 -0.03 0.04 0.05 0.04 0.00 -0.00 -0.04 0.04 -0.00 -0.04 -0.07 -0.07 -0.03 -0.07 0.01 0.00 -0.01 -0.05 -0.02 0.05 0.09 0.07 -0.00 -0.01 0.01 0.03 -0.01 -0.00 0.00 0.07 0.05 -0.03 -0.04 -0.04 0.14 0.06 0.03 -0.01 0.05 -0.07 -0.05 -0.02 -0.00 0.02 0.08 -0.07 -0.06 -0.01 0.01 -0.01 0.05 -0.05 -0.07 -0.01 -0.00 0.01 -0.34 0.33 0.30 -0.20 0.23 0.21 -0.35 0.35 0.30 -0.03 0.03 0.00 0.01 -0.00 0.03 -0.06 0.02 -0.03 0.11 -0.08 -0.05 -0.11 0.10 0.09 0.04 -0.06 0.12 -0.02 0.13 -0.10 0.20 0.01 -0.03 0.00 -0.01 0.00 0.01 -0.04 0.01 -0.01 -0.04 0.03 -0.04 -0.05 0.02 -0.00 -0.04 0.03 0.02 -0.05 0.03 0.02 0.01 -0.01 -0.02 0.00 -0.02 -0.04 0.06 -0.01 -0.02 0.02 0.02 0.01 -0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.02 0.02 0.01 -0.01 0.08 0.02 -0.05 0.05 0.11 -0.05 -0.04 -0.09 -0.09 0.04 -0.05 0.11 0.07 -0.06 0.03 0.03 0.01 -0.04 -0.05 0.34 0.26 -0.25 0.13 0.11 -0.07 0.30 0.34 0.00 -0.02 0.03 0.04 0.01 -0.04 0.03 -0.03 0.02 -0.10 -0.20 -0.19 -0.06 0.10 0.09 -0.04 0.23 -0.17 -0.11 -0.13 0.24 0.01 -0.14 -0.16 -0.05 0.08 0.02 0.14 -0.16 -0.00 0.03 0.02 -0.03 0.09 0.05 -0.00 0.02 -0.03 0.03 0.09 -0.06 0.03 0.02 -0.01 0.01 0.01 0.01 -0.00 0.04 -0.09 0.01 0.05 -0.06 -0.02 -0.01 0.02 0.00 -0.02 0.02 -0.01 -0.01 0.02 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 0.03 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 0.01 -0.01 -0.01 -0.02 -0.01 0.02 0.04 -0.04 -0.04 0.05 -0.05 -0.05 0.00 -0.00 -0.00 -0.04 0.04 0.03 -0.05 0.05 0.05 -0.23 0.23 0.20 -0.34 0.37 0.33 -0.02 0.02 0.03 0.28 -0.32 -0.28 0.29 -0.27 -0.22 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 0.05 -0.02 -0.02 0.01 -0.02 -0.01 -0.00 0.01 0.02 -0.01 0.02 0.03 -0.01 -0.03 -0.02 -0.00 0.00 0.02 -0.01 -0.04 -0.02 -0.00 -0.01 -0.01 -0.04 0.09 -0.02 0.00 -0.01 0.00 0.39 -0.51 0.62 0.06 -0.11 -0.04 -0.24 0.24 0.00 0.01 0.02 0.01 -0.00 -0.05 -0.08 0.00 0.00 0.01 0.06 -0.04 -0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.03 0.08 -0.01 -0.09 0.11 0.03 0.01 -0.03 -0.01 0.02 -0.01 0.01 0.01 -0.01 0.00 0.02 -0.02 0.01 -0.01 -0.01 0.00 -0.03 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.01 0.02 -0.02 0.01 0.01 -0.02 -0.00 -0.02 -0.01 -0.02 -0.04 0.01 0.00 0.02 0.02 -0.02 0.02 -0.03 0.00 -0.01 -0.02 -0.07 0.05 0.06 -0.05 -0.04 -0.02 0.07 -0.06 -0.05 0.00 -0.06 -0.09 -0.08 0.07 0.04 -0.01 -0.00 -0.01 -0.03 0.01 -0.00 0.10 0.02 0.01 0.04 -0.00 0.00 -0.03 0.02 -0.03 -0.07 -0.03 0.05 0.60 0.31 -0.04 0.12 0.09 -0.06 0.19 -0.00 -0.06 0.00 -0.00 -0.01 0.05 0.03 0.02 -0.00 0.00 0.02 0.06 -0.05 -0.04 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.02 -0.11 0.08 0.05 0.02 0.04 0.01 0.07 -0.06 -0.05 -0.09 0.07 0.05 0.12 -0.05 -0.02 -0.11 -0.10 -0.06 0.06 -0.02 -0.00 -0.07 -0.33 -0.19 0.04 -0.00 -0.02 -0.07 -0.08 -0.06 0.09 0.02 0.01 0.05 -0.12 -0.11 0.27 0.03 0.00 0.06 -0.02 -0.00 -0.00 -0.04 -0.05 0.02 0.02 0.01 0.01 -0.02 0.01 -0.06 -0.03 0.00 0.01 -0.01 -0.02 -0.01 -0.05 -0.08 -0.03 0.02 0.02 0.01 -0.09 0.03 -0.02 0.01 -0.04 -0.05 -0.01 -0.01 -0.01 -0.03 0.02 0.00 0.15 0.02 0.01 0.06 0.00 0.01 -0.04 0.03 -0.04 -0.07 -0.04 0.05 0.45 0.25 0.03 0.08 0.01 0.28 0.24 -0.23 0.30 0.00 -0.01 -0.02 0.06 0.04 0.05 -0.01 0.01 0.02 0.07 -0.06 -0.05 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.11 0.02 -0.00 -0.06 -0.04 -0.10 -0.08 -0.01 -0.17 -0.04 -0.05 -0.06 -0.01 -0.02 0.02 0.07 0.03 0.12 0.07 0.04 -0.01 0.08 0.06 -0.07 -0.05 -0.02 -0.02 0.11 0.05 -0.07 0.06 0.04 -0.03 -0.11 -0.10 0.03 0.14 0.13 -0.36 -0.12 -0.05 -0.01 -0.00 -0.02 -0.01 -0.04 -0.06 0.02 0.01 0.03 0.03 -0.03 0.03 -0.05 0.00 -0.03 -0.02 -0.10 0.06 0.07 -0.08 -0.06 -0.02 0.10 -0.07 -0.07 -0.02 -0.06 -0.10 -0.14 0.10 0.06 -0.01 -0.01 -0.01 -0.03 0.02 0.00 0.16 0.03 0.00 0.05 0.01 0.02 -0.04 0.02 -0.04 -0.09 -0.04 0.07 0.60 0.38 -0.13 -0.16 -0.06 -0.13 -0.14 -0.11 -0.14 0.00 -0.02 -0.02 0.08 0.07 0.08 -0.01 0.01 0.02 0.07 -0.07 -0.06 0.02 0.00 0.00 0.01 -0.00 -0.00 0.02 0.02 0.08 -0.01 -0.04 0.05 0.03 0.01 0.06 0.08 0.05 0.09 -0.05 -0.04 -0.09 -0.02 -0.01 0.02 0.05 0.02 -0.05 -0.02 -0.03 0.09 0.26 0.16 -0.02 -0.04 0.00 0.09 0.02 0.02 -0.06 0.06 0.06 -0.07 0.01 -0.00 0.03 0.06 0.04 -0.05 -0.05 0.05 0.03 -0.01 -0.02 0.02 0.04 -0.04 -0.04 0.03 -0.03 -0.06 -0.08 0.08 0.08 0.25 -0.24 -0.23 0.03 -0.06 -0.02 -0.24 0.27 0.23 -0.19 0.20 0.15 0.44 -0.43 -0.33 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.03 0.02 0.01 0.04 -0.02 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 0.01 0.03 0.01 0.00 -0.01 -0.00 -0.03 -0.02 0.01 -0.03 -0.00 -0.01 -0.01 0.02 0.03 0.04 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 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.02 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.02 -0.02 0.04 0.02 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.03 0.02 0.01 0.00 0.01 -0.02 0.03 -0.02 -0.01 -0.04 0.03 0.02 -0.02 0.02 0.03 0.00 0.06 0.06 0.01 0.01 -0.04 -0.01 0.01 -0.00 -0.02 -0.01 0.01 0.02 -0.02 0.01 0.03 -0.11 0.07 0.01 -0.01 -0.00 -0.02 0.03 0.00 -0.04 -0.11 -0.16 0.17 0.45 0.61 0.06 -0.07 -0.10 -0.25 0.32 0.36 0.01 0.03 0.04 -0.01 0.02 0.02 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.05 -0.05 -0.03 0.02 0.03 -0.01 0.02 0.02 0.03 -0.03 -0.03 -0.03 0.02 0.03 -0.28 0.27 0.24 0.13 -0.14 -0.11 0.11 -0.11 -0.10 -0.15 0.19 0.15 0.13 -0.14 -0.10 -0.02 0.07 0.06 -0.01 -0.06 -0.04 0.01 0.01 -0.02 -0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.02 0.12 0.05 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.03 0.07 0.06 -0.06 -0.20 -0.31 0.07 -0.10 -0.10 -0.27 0.34 0.42 -0.00 -0.02 -0.02 -0.02 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 0.06 0.07 0.03 -0.05 -0.03 0.02 -0.02 -0.03 -0.04 0.04 0.04 0.03 -0.03 -0.03 0.39 -0.34 -0.31 -0.20 0.17 0.14 -0.13 0.16 0.09 0.20 -0.22 -0.20 -0.18 0.17 0.11 -0.01 0.04 0.04 -0.01 -0.04 -0.03 0.01 0.02 -0.02 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.02 0.11 0.03 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.02 0.06 0.05 -0.04 -0.16 -0.25 0.04 -0.06 -0.06 -0.16 0.21 0.26 -0.00 -0.01 -0.01 -0.01 0.02 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.03 -0.03 -0.02 -0.05 0.06 0.05 0.07 -0.07 -0.06 -0.04 0.04 0.04 0.01 -0.00 -0.01 -0.19 0.16 0.16 0.28 -0.31 -0.28 -0.38 0.42 0.36 0.20 -0.28 -0.22 -0.05 0.06 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.12 0.12 -0.25 0.01 0.03 -0.03 0.26 0.10 0.15 -0.02 -0.00 0.01 -0.12 -0.22 0.08 -0.33 -0.18 -0.31 -0.02 0.08 -0.01 0.27 0.04 0.23 -0.06 -0.12 -0.02 -0.31 -0.16 0.00 -0.02 0.01 -0.01 0.01 0.01 -0.01 0.08 -0.07 0.07 0.03 0.02 0.05 -0.04 0.04 -0.04 0.01 0.00 -0.02 -0.37 -0.21 0.06 -0.01 0.02 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.03 -0.01 0.00 0.01 -0.02 -0.01 -0.01 0.04 0.07 -0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.02 0.01 0.01 0.02 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.03 -0.01 -0.01 0.02 0.02 -0.01 0.02 -0.03 -0.10 0.08 -0.10 -0.06 -0.03 -0.07 0.09 -0.16 0.09 0.07 -0.04 -0.03 -0.03 0.05 0.13 -0.09 0.27 -0.11 -0.20 0.07 -0.05 0.09 -0.19 0.13 0.16 0.19 -0.05 0.02 -0.02 0.03 0.02 -0.03 0.13 -0.18 0.18 0.08 0.04 0.09 -0.10 0.08 -0.10 0.04 0.02 -0.05 -0.56 -0.28 0.16 -0.02 0.05 -0.00 0.08 -0.05 -0.02 -0.02 -0.02 0.02 -0.07 -0.03 0.02 0.03 -0.04 -0.01 0.02 0.07 0.15 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.04 0.02 0.03 0.02 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.03 -0.01 -0.00 0.01 0.01 -0.04 0.03 0.02 -0.01 0.02 0.02 -0.01 0.03 0.02 -0.01 0.02 0.01 -0.01 -0.03 -0.02 0.04 -0.02 -0.02 0.04 -0.03 -0.02 0.04 -0.01 -0.01 0.03 -0.04 -0.02 0.01 0.06 0.12 -0.09 0.02 -0.02 0.04 -0.01 -0.06 0.05 0.03 0.09 -0.04 -0.17 -0.26 -0.03 -0.03 0.15 -0.17 0.01 -0.19 0.22 -0.33 -0.31 0.05 0.14 0.05 0.01 -0.03 0.04 -0.03 0.05 0.02 -0.03 -0.08 -0.13 0.16 -0.03 -0.06 -0.01 -0.04 0.03 -0.04 0.07 0.05 -0.03 0.46 0.38 -0.17 -0.00 -0.01 -0.00 0.01 -0.03 0.00 -0.02 -0.03 0.00 -0.06 0.01 0.08 0.02 -0.04 0.01 0.02 0.02 0.11 -0.01 0.01 0.00 0.01 0.01 0.00 -0.01 0.02 -0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -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 0.01 0.01 -0.02 0.01 0.02 -0.02 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.04 -0.06 -0.00 -0.05 0.06 -0.02 -0.02 -0.01 -0.01 0.07 -0.07 0.01 -0.04 0.04 0.01 0.06 -0.07 0.24 -0.05 0.32 -0.04 -0.06 0.05 0.20 0.21 -0.09 0.07 -0.03 0.17 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.03 -0.04 0.04 0.01 -0.00 0.02 -0.01 0.01 -0.01 0.02 0.01 -0.00 -0.05 0.07 -0.18 -0.01 0.03 -0.00 0.06 0.03 -0.05 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.00 -0.01 0.01 0.01 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.11 0.06 -0.12 -0.12 -0.12 0.08 0.02 0.02 -0.01 -0.02 -0.01 0.01 0.19 0.12 -0.02 -0.09 -0.09 0.20 -0.22 -0.13 0.05 -0.19 -0.13 0.07 -0.14 -0.08 0.06 -0.20 -0.09 0.06 0.12 0.11 -0.23 0.13 0.13 -0.22 0.10 0.07 -0.12 0.12 0.06 -0.15 0.02 -0.07 0.08 -0.02 0.03 -0.06 0.03 0.02 0.01 -0.02 -0.07 0.05 0.01 0.06 -0.06 -0.08 -0.13 0.11 -0.37 0.04 -0.42 0.05 0.04 -0.04 -0.36 -0.31 0.06 -0.09 0.06 -0.22 -0.00 -0.02 0.01 -0.02 -0.00 0.00 0.13 0.04 -0.02 0.04 0.04 0.03 -0.01 0.01 -0.01 -0.04 -0.03 0.01 -0.42 -0.26 0.13 -0.01 0.03 -0.00 0.06 -0.00 -0.03 0.01 0.01 0.01 0.02 -0.02 -0.05 -0.00 0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 -0.02 -0.02 -0.02 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 0.03 -0.01 -0.01 -0.01 0.03 -0.05 -0.03 0.01 -0.04 -0.03 0.02 -0.02 -0.01 0.01 -0.04 -0.02 0.02 0.02 0.02 -0.04 0.02 0.02 -0.04 0.01 0.01 -0.01 0.02 0.01 -0.03 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 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 -0.00 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 -0.03 0.04 0.06 0.04 -0.04 0.61 0.51 -0.50 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.04 0.04 -0.05 -0.04 0.05 0.03 0.01 0.04 -0.03 -0.02 -0.05 -0.06 -0.04 0.01 -0.02 -0.02 0.04 0.07 0.05 -0.00 0.10 0.07 -0.07 -0.03 -0.02 -0.01 0.11 0.04 -0.07 0.02 0.02 -0.06 0.07 0.06 -0.06 -0.00 -0.00 0.03 0.08 0.04 -0.06 -0.07 -0.01 -0.06 0.03 0.05 -0.02 -0.01 -0.05 0.05 -0.03 0.03 -0.07 0.08 0.06 0.01 -0.34 -0.32 -0.07 0.22 0.06 0.18 -0.05 -0.41 0.41 -0.21 -0.12 -0.09 0.29 0.08 0.31 0.02 -0.03 0.04 -0.04 -0.03 0.03 0.01 0.10 -0.11 -0.00 -0.03 0.05 0.04 -0.02 0.02 -0.04 -0.02 0.02 -0.06 -0.09 0.04 0.00 -0.01 0.00 -0.02 0.01 0.01 0.02 0.02 -0.02 0.07 0.02 -0.04 -0.01 0.03 -0.02 -0.05 0.01 -0.07 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 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.01 -0.03 -0.00 -0.03 -0.01 -0.05 0.04 0.03 0.03 0.01 -0.01 0.01 -0.01 0.12 0.13 -0.01 -0.35 -0.01 -0.37 -0.06 -0.45 0.48 0.39 0.33 0.02 -0.05 0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 0.01 0.08 0.07 -0.07 -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 0.02 -0.02 -0.03 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.03 0.03 -0.01 -0.02 0.07 -0.02 -0.02 -0.03 -0.01 -0.11 -0.06 0.05 0.05 0.08 -0.01 0.01 0.06 0.04 0.08 -0.12 0.02 -0.32 -0.08 0.55 -0.16 0.28 -0.03 0.10 0.33 -0.53 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 -0.05 0.01 -0.00 0.01 -0.00 -0.08 0.12 -0.01 0.62 0.17 -0.03 0.18 -0.27 0.03 -0.45 -0.47 0.06 0.01 -0.02 -0.00 -0.04 -0.01 0.07 -0.02 0.04 0.00 0.02 0.05 -0.07 -0.00 0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.02 -0.00 -0.00 0.00 0.05 0.06 -0.00 0.06 0.02 0.04 -0.00 0.01 -0.01 0.03 0.01 0.02 0.05 -0.00 0.08 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.05 0.01 0.02 -0.05 -0.03 -0.03 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.02 -0.00 -0.04 -0.03 0.04 0.27 0.22 -0.21 -0.00 -0.00 0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.07 -0.03 0.06 -0.05 -0.04 0.03 0.01 0.00 0.00 0.00 -0.00 -0.03 0.10 0.06 -0.00 0.05 0.02 -0.09 -0.08 -0.05 -0.08 -0.09 -0.15 0.22 0.38 0.22 -0.04 -0.22 -0.02 0.21 -0.01 0.05 0.11 -0.01 -0.16 -0.15 0.20 -0.00 -0.32 -0.25 -0.19 0.28 -0.01 0.00 -0.01 0.07 0.09 -0.03 -0.03 -0.01 -0.01 0.06 -0.02 0.09 -0.01 -0.01 -0.00 0.26 0.30 -0.03 0.30 0.10 0.19 -0.02 0.02 -0.05 0.18 0.06 0.10 0.23 -0.02 0.35 -0.01 -0.03 0.02 -0.01 0.01 -0.01 0.31 0.07 0.11 -0.26 -0.14 -0.14 -0.04 0.02 -0.03 -0.05 -0.02 0.01 -0.24 -0.07 0.05 0.01 0.03 -0.01 -0.09 -0.11 0.09 -0.00 -0.00 0.01 0.01 -0.02 -0.02 -0.00 0.01 -0.02 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.02 0.03 0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.03 -0.02 -0.01 -0.01 -0.01 0.04 0.02 0.02 0.03 0.06 0.06 -0.09 -0.14 -0.09 0.02 0.07 -0.01 -0.09 -0.02 -0.01 -0.05 0.07 0.09 -0.03 -0.08 -0.06 0.17 0.11 0.04 -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 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.04 0.02 0.01 0.02 -0.00 -0.02 0.05 0.00 0.01 -0.01 0.03 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 0.00 -0.03 -0.02 0.01 0.04 0.03 -0.03 -0.02 -0.01 -0.02 -0.01 -0.01 -0.03 0.01 0.01 0.08 0.03 0.01 0.06 0.00 -0.01 -0.11 -0.11 -0.15 0.28 0.42 0.25 -0.07 -0.20 0.02 0.27 -0.07 -0.04 -0.07 0.20 0.26 -0.05 -0.21 -0.16 0.44 0.30 0.10 -0.06 0.03 0.06 -0.04 -0.03 -0.02 -0.02 -0.01 -0.00 -0.00 -0.04 -0.01 -0.03 0.04 -0.04 0.07 0.37 0.43 -0.05 -0.26 -0.02 -0.25 -0.00 -0.01 -0.00 -0.35 -0.28 -0.05 0.31 -0.04 0.47 -0.00 0.01 -0.02 0.01 0.01 -0.01 -0.03 0.00 -0.02 0.01 0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.02 -0.05 0.00 -0.01 0.00 -0.01 0.03 0.00 -0.00 -0.01 0.00 -0.02 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.02 0.02 -0.01 -0.02 -0.02 0.04 0.02 0.01 -0.00 0.03 0.04 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.21 0.21 -0.02 -0.09 -0.01 -0.09 0.00 0.06 -0.06 -0.05 -0.04 -0.00 -0.01 -0.01 0.00 0.12 -0.20 0.25 -0.18 -0.20 0.21 -0.03 -0.12 0.12 0.01 -0.02 0.01 0.05 0.11 -0.11 -0.01 0.11 -0.14 0.08 0.21 -0.05 -0.00 0.02 -0.01 0.02 -0.05 0.00 0.08 0.11 -0.12 0.36 0.16 -0.13 -0.04 0.11 -0.13 -0.30 0.14 -0.25 0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.04 -0.02 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.03 0.03 0.02 -0.01 -0.02 -0.00 0.03 0.04 0.02 0.01 -0.11 -0.10 0.05 0.08 0.07 -0.16 -0.12 -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 -0.01 0.00 -0.01 -0.04 -0.04 0.01 0.01 0.00 0.02 0.00 0.01 -0.00 0.04 0.03 0.00 -0.06 0.01 -0.07 0.02 -0.02 0.03 -0.02 -0.02 0.02 -0.02 -0.02 0.01 0.01 0.00 0.00 0.01 0.01 -0.01 0.00 0.02 -0.02 0.06 0.07 -0.00 -0.06 -0.05 0.06 0.16 0.12 -0.12 0.01 0.01 -0.01 0.04 0.02 -0.02 -0.00 0.01 -0.01 -0.03 0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.02 0.08 -0.06 -0.04 0.01 -0.02 -0.01 -0.04 0.02 0.02 0.03 0.09 0.04 -0.15 0.15 0.09 -0.01 -0.07 -0.04 0.10 0.10 0.11 -0.27 -0.28 -0.17 0.08 0.15 -0.01 -0.26 -0.12 -0.07 0.01 0.28 0.27 -0.10 -0.19 -0.19 0.37 0.32 0.09 0.02 -0.02 -0.03 0.00 0.02 -0.00 0.02 0.00 0.02 -0.02 -0.02 -0.02 0.00 0.02 -0.00 0.02 -0.05 -0.04 0.01 -0.02 0.00 -0.02 -0.00 -0.03 0.03 0.04 0.03 0.01 0.04 -0.02 0.02 0.01 0.05 -0.05 0.01 -0.04 0.04 -0.01 -0.01 -0.03 0.01 0.03 -0.03 -0.02 -0.02 0.02 -0.01 0.01 -0.02 0.03 0.09 0.32 0.02 0.02 0.03 0.05 -0.03 0.06 0.01 0.01 -0.02 0.06 0.03 -0.01 0.01 -0.03 0.03 0.01 -0.04 0.02 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.22 -0.11 0.26 0.27 0.22 -0.12 -0.02 -0.02 0.03 0.03 0.02 -0.03 0.12 0.06 -0.15 -0.18 -0.12 0.06 -0.10 -0.06 0.04 0.17 0.06 -0.20 0.19 0.12 0.05 0.14 0.09 -0.20 0.08 0.05 -0.10 -0.29 -0.14 0.16 -0.03 -0.02 0.22 -0.20 -0.18 0.08 0.10 0.11 -0.02 -0.12 0.01 -0.14 -0.01 -0.08 0.08 0.13 0.13 -0.01 -0.09 0.04 -0.13 0.31 0.31 -0.02 0.28 0.01 0.28 -0.01 0.02 -0.02 -0.30 -0.23 -0.04 -0.29 0.03 -0.43 -0.01 -0.00 0.00 0.01 0.01 -0.02 -0.00 0.03 -0.03 -0.01 -0.19 0.21 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.07 -0.05 0.01 -0.01 0.01 -0.01 0.04 0.00 -0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.07 0.01 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.02 0.03 0.03 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.02 0.02 0.01 0.01 0.01 0.00 -0.02 0.01 0.00 -0.01 -0.03 -0.01 0.02 -0.01 -0.00 0.04 -0.02 -0.02 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 0.02 -0.06 -0.06 0.00 -0.06 -0.01 -0.05 0.00 0.00 -0.01 0.01 0.02 -0.00 0.02 -0.00 0.02 0.05 -0.31 0.38 0.15 0.30 -0.34 -0.06 -0.01 -0.01 0.01 0.03 -0.01 0.02 0.05 -0.04 -0.00 -0.04 0.06 0.13 -0.11 -0.29 0.03 -0.03 0.01 -0.06 0.10 0.02 -0.12 -0.15 0.17 0.22 -0.24 -0.02 -0.06 0.14 -0.20 0.17 0.24 0.06 -0.02 0.05 -0.04 -0.03 -0.04 0.03 -0.04 -0.01 0.05 0.05 0.05 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.02 -0.03 -0.02 0.01 -0.02 -0.01 0.01 0.04 0.01 -0.04 0.05 0.04 0.01 0.03 0.03 -0.04 0.01 0.01 -0.02 -0.06 -0.03 0.04 -0.00 -0.02 0.05 -0.03 -0.03 0.02 0.09 0.09 -0.00 -0.00 -0.00 -0.00 -0.01 -0.09 0.09 0.00 0.01 -0.01 -0.07 0.01 -0.09 -0.34 -0.37 0.02 -0.23 -0.00 -0.24 0.03 0.32 -0.34 0.22 0.19 0.00 0.32 -0.02 0.43 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 -0.05 0.00 -0.01 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.02 -0.02 0.03 -0.03 -0.03 -0.02 0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.04 -0.00 0.02 -0.00 -0.08 -0.13 0.00 -0.01 0.00 -0.01 0.05 -0.01 -0.05 -0.05 0.05 0.92 -0.09 -0.20 0.01 -0.02 0.03 -0.19 -0.04 -0.10 -0.03 0.05 -0.03 0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 0.04 0.01 -0.01 -0.01 0.02 -0.01 0.03 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -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 -0.01 0.00 -0.01 -0.03 0.03 -0.03 -0.03 -0.04 0.03 0.01 0.00 0.01 -0.00 0.01 -0.01 0.04 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.05 -0.12 0.01 -0.01 0.00 -0.02 0.03 0.00 0.00 0.00 -0.01 0.20 0.00 -0.05 -0.03 0.04 -0.05 0.83 0.09 0.47 -0.01 0.01 -0.00 -0.04 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.02 -0.00 -0.02 0.05 0.05 -0.01 0.02 0.01 0.01 0.01 0.02 -0.01 0.03 0.01 0.01 0.06 -0.01 0.08 0.05 0.00 0.01 0.05 0.01 -0.00 -0.02 -0.03 -0.05 0.01 -0.02 -0.00 -0.02 -0.02 0.02 -0.01 0.00 -0.02 -0.08 0.42 0.78 -0.03 0.07 -0.02 0.10 -0.24 0.01 -0.02 -0.02 0.02 0.21 -0.03 -0.04 -0.01 0.01 -0.01 0.13 0.02 0.06 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.03 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.03 -0.02 -0.04 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.02 0.06 0.02 -0.06 0.04 0.01 -0.11 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.02 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.09 -0.11 0.12 0.08 -0.09 -0.31 -0.19 0.24 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.03 0.07 -0.06 -0.05 0.03 0.01 0.01 0.01 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.05 -0.03 0.02 0.25 0.07 -0.19 0.35 0.24 0.05 0.18 0.17 -0.18 -0.03 -0.02 0.05 0.25 0.06 -0.21 0.08 0.08 -0.35 0.14 0.23 -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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.02 -0.04 0.01 0.12 0.14 -0.44 -0.23 0.57 -0.03 -0.19 -0.09 0.29 -0.00 0.03 0.00 -0.20 -0.24 -0.07 0.16 -0.30 0.11 0.09 0.12 -0.08 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.01 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.02 0.01 0.06 0.08 -0.26 -0.14 0.33 -0.02 -0.11 -0.06 0.17 0.01 -0.04 -0.01 0.28 0.40 0.17 -0.28 0.49 -0.11 -0.19 -0.26 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 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.05 0.07 -0.02 -0.00 0.00 0.03 -0.01 -0.03 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 0.02 -0.03 -0.03 -0.03 0.02 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 0.04 0.03 0.02 -0.01 -0.04 -0.01 0.04 -0.06 0.09 -0.29 0.57 0.18 0.10 0.18 -0.11 -0.45 0.03 0.02 -0.04 -0.20 -0.06 0.16 -0.07 -0.05 0.31 -0.15 -0.20 0.15 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.03 -0.03 -0.03 0.03 0.07 0.07 -0.06 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 0.00 0.00 0.00 0.01 0.01 -0.01 0.04 0.04 -0.03 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.03 -0.02 0.00 0.02 0.02 0.02 -0.38 0.05 -0.18 0.14 0.03 0.03 -0.08 -0.38 -0.20 -0.05 -0.01 0.01 0.06 0.19 0.15 0.20 -0.08 -0.47 0.47 0.12 0.11 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 0.01 0.01 -0.01 -0.03 -0.03 0.02 0.00 0.00 -0.00 -0.03 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.03 -0.02 -0.01 0.34 -0.03 0.12 -0.05 -0.00 -0.01 0.10 0.33 0.12 -0.01 0.01 -0.05 -0.25 0.17 0.47 0.15 -0.16 -0.13 0.39 -0.19 0.40 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 0.01 -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 0.03 0.03 -0.10 -0.08 0.08 0.24 0.17 -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 0.09 0.05 -0.08 0.07 0.07 -0.05 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.03 -0.01 0.03 -0.03 -0.02 0.01 -0.07 -0.04 0.01 0.52 0.01 -0.00 0.20 0.14 0.04 0.24 0.46 -0.04 -0.02 -0.02 0.04 0.21 0.01 -0.22 0.02 0.06 -0.20 0.04 0.20 -0.20 0.12 0.03 0.09 -0.13 -0.07 -0.05 -0.01 0.07 -0.08 0.15 0.07 0.08 -0.11 -0.09 -0.02 -0.23 -0.34 0.13 0.14 -0.09 0.25 -0.05 -0.37 0.37 -0.26 -0.30 0.07 0.13 -0.14 0.33 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 0.00 0.10 -0.11 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 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 -0.01 -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 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.02 0.00 -0.01 0.01 0.01 -0.01 0.02 0.06 0.10 -0.06 0.10 -0.03 0.14 -0.10 -0.04 -0.05 0.09 0.11 -0.03 0.06 -0.04 0.11 -0.31 -0.26 -0.05 -0.35 -0.04 -0.33 -0.12 -0.04 -0.08 -0.34 -0.25 -0.07 -0.33 -0.01 -0.39 0.02 0.00 0.00 0.02 -0.00 0.00 0.01 0.00 -0.00 -0.09 -0.06 -0.04 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 0.08 0.11 -0.01 0.01 0.00 0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.02 -0.00 0.02 -0.04 0.01 -0.05 0.02 -0.02 0.04 -0.03 -0.00 -0.02 0.03 0.00 0.03 -0.01 -0.03 0.03 0.06 0.01 0.05 0.03 0.05 -0.03 0.02 0.04 -0.02 -0.04 0.02 -0.05 0.40 0.09 -0.01 0.30 -0.07 0.11 -0.03 0.04 0.04 0.01 0.02 -0.02 -0.30 -0.08 0.03 -0.24 0.06 -0.10 0.09 -0.43 -0.51 0.02 -0.02 -0.00 -0.07 0.09 0.01 -0.01 -0.02 0.01 0.13 -0.03 0.01 -0.01 0.02 -0.02 0.16 0.04 0.04 -0.03 0.01 -0.00 -0.04 -0.02 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -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 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.08 -0.16 0.10 -0.06 0.12 -0.20 -0.03 -0.30 0.31 0.09 0.20 -0.13 0.07 -0.10 0.19 0.14 0.06 0.10 0.18 0.14 0.02 0.03 0.35 -0.37 -0.19 -0.02 -0.18 -0.21 -0.09 -0.13 0.05 0.01 0.00 -0.13 0.02 -0.04 0.00 -0.02 0.01 0.01 0.18 -0.20 -0.02 -0.00 0.00 0.09 -0.02 0.03 -0.01 0.06 0.06 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.05 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.04 0.04 -0.03 0.03 -0.07 -0.00 -0.08 0.09 0.02 0.05 -0.04 0.03 -0.03 0.07 0.04 0.01 0.04 0.07 0.04 0.03 0.01 0.09 -0.09 -0.05 0.00 -0.05 -0.08 -0.02 -0.05 -0.48 -0.10 0.01 0.52 -0.10 0.18 -0.00 -0.01 0.02 0.00 0.06 -0.07 0.33 0.08 -0.03 -0.36 0.08 -0.15 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.01 0.20 -0.03 0.01 0.00 -0.02 0.01 -0.17 -0.03 -0.06 -0.05 0.02 -0.00 0.04 0.02 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.01 0.26 0.19 0.06 -0.23 -0.07 -0.16 0.11 0.07 0.04 -0.23 -0.16 -0.07 0.23 0.05 0.20 -0.23 -0.33 0.11 0.13 -0.09 0.24 0.13 0.04 0.09 0.18 0.21 -0.06 -0.18 0.11 -0.36 -0.02 -0.01 0.00 -0.04 0.01 -0.01 0.01 -0.01 -0.01 -0.13 -0.07 -0.07 0.02 0.00 0.00 0.03 -0.00 0.01 -0.03 0.13 0.14 -0.01 0.01 0.00 0.02 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.01 -0.00 0.01 -0.03 -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 0.02 -0.01 0.03 0.03 -0.02 0.16 0.15 -0.13 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.33 -0.24 -0.42 0.23 0.03 0.46 -0.14 -0.02 -0.29 0.21 0.15 0.27 0.00 0.01 0.05 -0.04 -0.02 -0.02 -0.01 -0.01 -0.00 0.05 0.00 -0.08 0.13 0.08 0.01 0.04 0.04 -0.08 -0.00 -0.01 0.01 0.08 0.04 -0.01 0.03 0.04 -0.13 0.06 0.06 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.03 -0.02 0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.05 0.06 0.01 -0.05 -0.01 -0.07 -0.07 0.03 -0.09 0.04 -0.02 0.00 -0.01 -0.02 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.03 0.01 -0.00 -0.01 -0.00 -0.00 0.31 0.21 0.38 0.26 0.03 0.54 -0.17 -0.02 -0.33 -0.18 -0.13 -0.24 -0.01 -0.01 -0.04 -0.03 -0.01 -0.03 0.02 0.01 0.00 -0.05 0.00 0.07 -0.11 -0.07 -0.01 -0.03 -0.04 0.07 -0.00 -0.01 0.02 0.09 0.04 -0.01 0.03 0.04 -0.14 0.06 0.07 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.01 -0.01 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 -0.01 -0.01 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.46 0.20 -0.02 0.15 0.17 -0.16 0.49 0.22 0.12 -0.11 0.19 -0.22 0.31 -0.16 0.03 -0.33 -0.17 -0.07 0.01 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.03 -0.01 -0.00 -0.03 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.03 0.03 0.00 0.00 0.00 0.01 -0.01 0.00 0.50 -0.22 0.03 -0.18 -0.19 0.18 0.44 0.20 0.11 -0.11 0.17 -0.21 -0.34 0.17 -0.03 -0.30 -0.16 -0.06 -0.02 -0.01 -0.01 -0.01 0.00 -0.02 0.01 0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.07 0.05 -0.11 0.81 -0.56 -0.00 -0.01 0.01 0.04 0.11 -0.07 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.11 0.08 -0.02 -0.07 0.04 0.27 0.80 -0.51 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.03 -0.00 -0.05 0.63 0.21 0.05 -0.01 -0.43 0.47 -0.27 0.27 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 0.02 -0.01 0.01 0.01 0.01 -0.04 0.39 -0.37 0.30 -0.36 -0.23 -0.15 -0.19 0.48 0.38 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.05 -0.08 0.00 -0.05 0.65 0.23 0.00 -0.01 0.06 -0.56 0.31 -0.33 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.08 -0.01 -0.45 0.42 -0.35 0.03 0.01 0.01 -0.19 0.52 0.42 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.05 0.01 -0.14 -0.04 0.05 -0.01 -0.50 -0.14 0.09 -0.08 -0.06 -0.03 -0.04 0.17 -0.17 0.13 0.58 0.38 0.25 -0.08 0.19 0.14 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.08 -0.02 0.21 0.06 -0.08 0.02 0.74 0.21 -0.13 0.12 -0.04 -0.02 -0.03 0.12 -0.12 0.09 0.39 0.26 0.17 -0.05 0.13 0.10 0.00 -0.00 0.01 0.01 0.02 -0.01 -0.07 -0.03 -0.03 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.04 0.04 -0.09 -0.15 -0.26 0.14 0.74 0.34 0.40 -0.07 0.09 -0.17 -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.04 -0.02 -0.07 0.45 0.29 0.84 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 -0.05 -0.02 -0.04 0.03 -0.02 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.28 -0.25 0.58 0.28 0.50 -0.28 0.24 0.11 0.13 -0.04 0.05 -0.10 -0.02 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.03 0.05 -0.02 0.01 -0.00 0.01 -0.01 0.01 -0.03 -0.00 -0.00 0.00 0.28 -0.24 0.57 -0.29 -0.50 0.27 -0.06 -0.02 -0.03 0.11 -0.15 0.28 0.02 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.02 0.01 -0.02 -0.01 -0.01 -0.02 0.04 -0.07 -0.01 -0.02 0.01 -0.07 0.06 -0.15 0.11 0.20 -0.11 0.22 0.10 0.12 0.28 -0.38 0.72 0.13 0.21 -0.09 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.05 -0.07 0.03 0.02 -0.02 0.04 -0.01 -0.02 0.01 -0.03 -0.01 -0.01 -0.09 0.11 -0.22 0.48 0.76 -0.32 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 6 6 6 6 6 1 1 1 1 1 6 6 5 7 7 7 1 6 1 6 1 6 1 8 8 6 6 8 8 8 8 6 1 1 1 6 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 6 6 6 6 6 1 1 1 1 1 6 6 5 7 7 7 1 6 1 6 1 6 1 8 8 6 6 8 8 8 8 6 1 1 1 6 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 11.00931 14.00307 14.00307 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 15.99491 15.99491 12.00000 12.00000 15.99491 15.99491 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 332.10539 0.99955 0.02704 -0.01299 -0.02751 0.99894 -0.03689 0.01198 0.03723 0.99924 asymmetric 1 0.01480 0.00842 0.00758 0.30846 0.17548 0.15800 757642.3 34.35 40.14 51.62 59.69 68.20 100.66 108.41 126.55 145.99 153.61 161.66 179.29 190.88 213.08 242.06 251.31 258.93 279.68 291.01 326.76 363.62 391.30 402.94 449.40 476.62 531.35 551.60 566.23 583.61 668.72 755.80 790.04 841.86 936.23 956.37 977.04 1005.56 1020.83 1046.11 1061.03 1065.37 1076.32 1127.83 1132.56 1155.18 1176.05 1285.73 1334.14 1381.83 1407.56 1413.89 1423.24 1462.41 1480.44 1480.49 1508.79 1518.88 1534.11 1554.02 1566.16 1578.34 1592.17 1623.22 1692.47 1702.35 1703.53 1720.35 1730.18 1752.47 1771.89 1775.36 1784.81 1913.45 1941.00 1944.58 1976.15 1994.08 1995.99 2042.20 2068.99 2113.30 2113.41 2119.80 2132.43 2136.16 2158.72 2181.30 2208.99 2386.09 2402.97 2437.47 2482.28 2602.25 2673.65 2698.15 2721.32 4230.86 4240.75 4400.40 4405.62 4537.42 4554.25 4605.59 4605.66 4642.65 4664.53 4665.56 4680.60 4684.95 4711.01 0.288571 0.312130 0.313074 0.231943 -1181.389071 -1181.365512 -1181.364568 -1181.445699 195.864 83.179 170.754 0.000 0.000 1.377 0.889 2.981 43.296 0.889 2.981 34.885 194.087 77.217 91.197 1 0.593 1.985 6.283 2 0.593 1.984 5.973 3 0.594 1.982 5.475 4 0.594 1.981 5.187 5 0.595 1.979 4.923 6 0.598 1.968 4.155 7 0.599 1.965 4.008 8 0.601 1.958 3.705 9 0.604 1.948 3.426 10 0.606 1.944 3.327 11 0.607 1.939 3.228 12 0.610 1.928 3.028 13 0.613 1.921 2.907 14 0.617 1.905 2.696 15 0.625 1.882 2.455 16 0.627 1.874 2.385 17 0.629 1.867 2.329 18 0.635 1.848 2.186 19 0.639 1.837 2.112 20 0.651 1.800 1.902 21 0.664 1.758 1.711 22 0.675 1.725 1.584 23 0.680 1.710 1.533 24 0.701 1.650 1.350 25 0.714 1.613 1.254 26 0.742 1.535 1.083 27 0.753 1.506 1.026 28 0.761 1.484 0.987 29 0.771 1.458 0.942 30 0.822 1.328 0.752 31 0.880 1.194 0.598 32 0.904 1.142 0.546 33 0.942 1.064 0.476 0.111421e+27 26.046968 59.975361 0.249541e+11 10.397142 23.940303 0.200000e+01 0.301030 0.693147 0.237885e+09 8.376368 19.287300 0.938488e+07 6.972429 16.054611 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.9541 -2.6262 -1.6336 8.5342 -156.8225 -120.9983 -128.5078 20.4165 -6.3310 3.1392 -21.3796 14.4446 6.9350 20.4165 -6.3310 3.1392 -246.1415 12.4945 -8.7218 -8.4520 -2.7654 -10.0238 -51.6832 -0.5005 -6.6722 -21.9649 -6306.6836 -2383.2912 -1692.6202 236.6773 -184.5851 102.8898 -67.5754 -33.7125 -4.3187 -1188.3699 -1117.8825 -720.8940 60.2847 -1.7542 54.7500 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -1181.6776416 0.763638 0. 0.750135 5.236E-9 2.337E-6 0.2885707 0.3121296 -1181.3655119 -1181.3645677 -1181.4456987 -15.0549521,9.8109995,5.2439526,15.9699708,-4.5371042,2.1137684 C01 [X(C14H15B1N3O6)] -3.1721694 -0.9420868 -0.5687085 0.1933173 -0.0400047 0.2102379 0.1356261 0.0918881 0.1595548 -0.0465933 -0.0992528 0.0630509 -0.1515103 0.1441345 -0.2414797 0.0494298 0.0266351 -0.0749909 -0.1203155 -0.0116993 -0.2526281 0.1594042 0.0683131 0.0693106 0.0852151 0.1195762 -0.0924836 0.0486328 -0.1016534 0.1612783 -0.2222689 -0.2728503 0.1713398 -0.1655732 -0.2242488 -0.0228341 0.0255781 -0.0687414 0.0636651 0.2380772 0.1698037 -0.0809429 0.0017814 0.1396369 -0.0448845 0.1662895 0.2189566 0.0669335 0.164068 0.0388419 0.0022682 0.0153315 0.1219715 0.0036888 0.01676 0.0109808 0.1007995 0.0761397 -0.0446587 -0.0005417 -0.0389525 0.0540744 0.045581 0.0091098 0.0526885 0.0757691 0.0203844 -0.0415171 -0.0461257 -0.0355905 0.0876798 -0.0124778 -0.0392578 -0.0110286 0.0827617 0.0865439 -0.0098985 -0.0293247 0.0020363 0.0877863 0.0498105 -0.020469 0.0356723 0.0529738 0.1312518 0.0124732 0.0134543 0.0338672 0.1670997 0.0358992 0.0159034 0.0043291 0.1364866 -0.4666556 0.2616542 -0.0337583 -0.0514852 0.2008769 0.0359485 0.1046569 -0.1214476 0.1104679 -0.4237666 0.1882836 0.0819715 0.0839531 -0.0048346 -0.0549374 -0.2580319 0.1596837 0.2194815 0.9999559 0.2403997 0.2600109 0.2839591 0.7334111 0.1082022 0.3084692 0.2502129 0.6142624 -0.4528402 -0.1744321 -0.1750916 -0.1624449 -0.2096897 -0.0564071 -0.1765652 -0.0464217 -0.2028282 -0.2448669 -0.3083128 -0.1289965 -0.127502 -0.5245224 0.1713906 0.0236378 -0.0319588 -0.6110313 -0.244729 -0.2932445 -0.1141137 -0.0572714 -0.6006696 0.0882699 -0.0486485 0.1025589 -0.5873536 -0.2734273 0.1220463 0.0099631 -0.0018819 -0.3045909 -0.0823625 -0.0089543 -0.155457 -0.1169713 -0.4732352 -0.1919432 0.2864318 -0.2618251 -0.0694122 0.2871454 0.1759823 0.362097 -0.2072904 0.0303471 0.0011551 0.0174927 -0.004571 0.0613707 -0.0225219 -0.0199687 0.0203172 0.0501123 1.4342089 -0.234221 -0.1981696 0.0753683 0.6176128 -0.2648344 -0.3794839 -0.2176833 0.4599925 0.0139868 0.028611 -0.0158803 -0.0602724 -0.1328867 0.1386891 0.0704813 0.1205525 -0.0605034 1.2405842 0.0507952 0.3323664 -0.1407216 0.7485379 -0.3112621 0.5631756 -0.3478349 0.6115321 0.0192314 -0.075616 0.0451476 0.0295663 -0.1554336 0.1408453 -0.0468856 0.1306558 -0.0570097 -1.1601119 0.2032028 0.100124 0.2108955 -0.4797827 0.0539421 0.1369222 0.0705543 -0.3681069 -1.0752829 -0.0287421 -0.2396913 -0.146012 -0.4783863 0.0306181 -0.3199078 0.118959 -0.466668 1.7157897 0.0497095 -0.4943028 0.7507035 0.305663 -0.081851 -0.7196714 0.2116902 1.7321312 1.1641179 1.0002556 -0.0407193 0.3930417 1.1584738 -0.2679753 0.40597 -0.5718938 1.043343 -0.6114536 -0.1506243 -0.086807 -0.1078034 -0.6248899 0.0966238 -0.4300307 0.1411518 -0.8279612 -0.8862473 -0.040604 -0.0726469 -0.2819569 -0.422319 -0.198891 -0.0480561 -0.1311659 -0.773788 -1.0643615 -0.0989122 0.5721609 -0.3611249 -0.3265768 0.1902598 0.8810923 -0.0692856 -1.3910977 -0.982377 -0.8688929 0.2278562 -0.4470152 -0.9505796 0.1927038 0.1086761 0.2683252 -0.6123589 0.77048 0.0736442 -0.355509 0.230351 0.309481 -0.1475521 -0.2254097 -0.0318559 0.4147676 -0.0386908 0.0371539 0.0725482 -0.0497147 -0.0873934 0.0197247 0.0035784 -0.0714256 0.0420666 0.0313624 -0.0143311 0.0134628 -0.0221967 0.0779301 -0.0097791 0.0757555 0.0009606 -0.1025457 -0.0903551 0.0205388 0.0532633 0.0263876 0.0114632 0.0578301 -0.0722228 0.0486396 0.0329905 0.4022363 0.2385403 -0.1627408 0.1488202 0.4752058 -0.1526333 -0.2226649 -0.3230936 0.4554623 -0.0122389 0.0831481 -0.0455212 0.0109879 -0.0228465 0.0576594 0.0355481 0.0963293 0.0069982 -0.0423313 -0.1075137 -0.0000667 -0.0625945 0.0252484 0.0077776 -0.0434951 -0.019611 0.0340414 0.0252631 -0.0363857 0.0230192 0.0191884 -0.0025603 -0.0734864 0.0704127 0.006195 0.0067744 266.2636581|4.1504519|184.165244|7.8439462|-14.1030095|169.3856363 0.000001932 -0.000001060 0.000001505 0.000002161 -0.000002990 0.000003737 0.000001072 -0.000003516 0.000002679 0.000000004 -0.000004445 0.000001294 -0.000000666 -0.000002329 0.000001667 0.000001054 -0.000000042 0.000002590 0.000002519 -0.000002068 0.000004198 0.000000972 -0.000004518 0.000003714 -0.000000761 -0.000004539 0.000001576 0.000000580 -0.000002837 -0.000000225 0.000003607 0.000003372 -0.000000282 0.000001602 0.000001220 0.000000129 0.000006116 -0.000003341 -0.000004724 0.000000407 0.000000104 0.000000786 -0.000001330 0.000003279 0.000001098 -0.000003526 0.000002877 -0.000000633 -0.000002852 -0.000000150 0.000004137 -0.000001793 0.000002758 -0.000000566 0.000000021 0.000001299 -0.000001814 -0.000001195 0.000002224 -0.000001793 -0.000001010 0.000001487 -0.000002133 0.000001206 0.000004177 -0.000000546 0.000002852 0.000004272 0.000000919 0.000000376 0.000002642 -0.000001473 0.000002207 0.000005426 -0.000001102 -0.000000708 -0.000000906 0.000002594 -0.000000688 0.000000422 -0.000004078 -0.000001450 -0.000001456 -0.000001054 -0.000001455 0.000000224 0.000001158 0.000000623 0.000000215 -0.000001090 -0.000002951 -0.000000156 -0.000002707 0.000000488 -0.000000142 0.000001277 0.000001593 -0.000000479 0.000002055 0.000001252 0.000000705 0.000001006 0.000000372 -0.000001227 0.000000936 -0.000002970 0.000000080 -0.000003542 -0.000003660 -0.000001016 -0.000003910 -0.000003357 0.000000954 -0.000004335 -0.000002646 -0.000000520 -0.000003048 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.407,-2.3007,-.1474;-2.5617,-2.8191,-.7019;-3.058,-2.2553,-1.8776;-2.3757,-1.1954,-2.4628;-1.2242,-.7184,-1.8578;-.9507,-2.6821,.7675;-3.0654,-3.6528,-.2128;-3.9736,-2.6406,-2.3302;-2.7341,-.7169,-3.3735;-.6564,.1282,-2.242;2.4203,-1.2464,.7716;2.5933,-.2855,-.3781;.4644,-.6412,-.0015;-.7604,-1.2714,-.7255;1.1843,-1.5427,.9591;1.4653,.0493,-.8909;-.0445,.3287,.7278;-.9831,1.6888,1.0032;-.4673,2.0094,1.9091;3.8711,.1621,-1.0164;3.7412,1.0703,-1.6563;3.4629,-1.7495,1.7201;3.1164,-2.6376,2.3046;4.9168,-.4196,-.9271;4.5295,-1.2301,1.9021;-2.2893,1.0391,1.1742;-.5893,2.3469,-.2528;-1.1547,2.2609,-1.3173;-2.9749,.5532,.3052;-2.6208,.9881,2.4746;.5511,3.0224,-.0756;-3.8299,.3208,2.7835;-3.7975,-.7269,2.4485;-3.936,.3647,3.8731;-4.6864,.8119,2.299;1.1672,3.5224,-1.2503;.4921,4.1976,-1.795;2.0608,4.0638,-.9202;1.4489,2.6842,-1.905; Gaussian 16 10-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 111 C1[X(C14H15BN3O6)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.407,-2.3007,-.1474;-2.5617,-2.8191,-.7019;-3.058,-2.2553,-1.8776;-2.3757,-1.1954,-2.4628;-1.2242,-.7184,-1.8578;-.9507,-2.6821,.7675;-3.0654,-3.6528,-.2128;-3.9736,-2.6406,-2.3302;-2.7341,-.7169,-3.3735;-.6564,.1282,-2.242;2.4203,-1.2464,.7716;2.5933,-.2855,-.3781;.4644,-.6412,-.0015;-.7604,-1.2714,-.7255;1.1843,-1.5427,.9591;1.4653,.0493,-.8909;-.0445,.3287,.7278;-.9831,1.6888,1.0032;-.4673,2.0094,1.9091;3.8711,.1621,-1.0164;3.7412,1.0703,-1.6563;3.4629,-1.7495,1.7201;3.1164,-2.6376,2.3046;4.9168,-.4196,-.9271;4.5295,-1.2301,1.9021;-2.2893,1.0391,1.1742;-.5893,2.3469,-.2528;-1.1547,2.2609,-1.3173;-2.9749,.5532,.3052;-2.6208,.9881,2.4746;.5511,3.0224,-.0756;-3.8299,.3208,2.7835;-3.7975,-.7269,2.4485;-3.936,.3647,3.8731;-4.6864,.8119,2.299;1.1672,3.5224,-1.2503;.4921,4.1976,-1.795;2.0608,4.0638,-.9202;1.4489,2.6842,-1.905; chk=4_TS_2COOMe.chk Mem=12000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments 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 12 12 12 12 12 1 1 1 1 1 12 12 11 14 14 14 1 12 1 12 1 12 1 16 16 12 12 16 16 16 16 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 11.0093053 14.0030740 14.0030740 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 15.9949146 15.9949146 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 1 1 1 1 0 0 3 2 2 2 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 2.7500000 4.5500000 4.5500000 4.5500000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 5.6000000 5.6000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "4_TS_2COOMe.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1089 A 954 A 954 1479 1089 87 86 2084.8161623602 39 39 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0308104486 0.000000 1.381882 0.000000 2.391914 1.395129 0.000000 2.742464 2.402455 1.389712 0.000000 2.337178 2.745503 2.392660 1.385420 0.000000 1.091201 2.184741 3.408664 3.830892 3.289862 0.000000 2.140794 1.089963 2.173612 3.402506 3.834924 2.524911 0.000000 3.386391 2.162558 1.091681 2.158602 3.387775 4.328408 2.516459 0.000000 3.831137 3.403919 2.170110 1.089440 2.139443 4.918418 4.326607 2.515075 0.000000 3.293967 3.832578 3.403104 2.180954 1.089406 4.128176 4.921084 4.321785 2.512242 0.000000 4.074802 5.428134 6.168209 5.784900 4.524921 3.664025 6.070650 7.241990 6.635526 4.520784 0.000000 4.485189 5.753130 6.169716 5.464875 4.117117 4.429104 6.586950 7.244428 6.127008 3.769098 1.508387 0.000000 2.505481 3.793596 4.304886 3.798858 2.510635 2.599936 4.644845 5.395979 4.648321 2.620690 2.188464 2.191024 0.000000 1.345933 2.374933 2.752035 2.373391 1.342766 2.062847 3.353613 3.843696 3.348876 2.066311 3.515525 3.512925 1.556187 0.000000 2.917824 4.291936 5.152785 4.950097 3.796750 2.427653 4.887363 6.215208 5.899797 4.053047 1.284744 2.313896 1.501237 2.587177 0.000000 3.784917 4.947792 5.171533 4.332846 2.959399 4.006081 5.890120 6.236127 4.938203 2.516647 2.314053 1.283534 1.506512 2.593431 2.456826 0.000000 3.087980 4.276518 4.748197 4.235204 3.028728 3.144489 5.085568 5.797034 5.014758 3.038755 2.925397 2.925458 1.315839 2.277038 2.250640 2.231042 0.000000 4.173696 5.071583 5.306616 4.719301 3.746799 4.377457 5.860753 6.228907 5.292425 3.615762 4.500267 4.312418 2.921273 3.435324 3.891307 3.502902 1.675393 0.000000 4.867058 5.875160 6.263958 5.746818 4.712005 4.852531 6.581260 7.203321 6.362139 4.561345 4.498040 4.457056 3.397635 4.217899 4.030799 3.926400 2.097397 1.090549 0.000000 5.888837 7.096973 7.388944 6.554125 5.238822 5.875531 7.957028 8.433260 7.068026 4.690560 2.699193 1.496758 3.644217 4.857008 3.745337 2.411645 4.289669 5.474706 5.549074 0.000000 6.335966 7.467620 7.572140 6.572707 5.281663 6.478435 8.409641 8.587413 6.933482 4.535417 3.606470 2.188476 4.050270 5.158992 4.495070 2.609194 4.534877 5.456594 5.595105 1.118527 0.000000 5.244706 6.580704 7.464601 7.203644 5.986111 4.610549 7.069476 8.514698 8.087907 6.016049 1.496593 2.702255 3.630840 4.903667 2.411169 3.747466 4.195826 5.665892 5.441581 3.362975 4.407827 0.000000 5.156303 6.427564 7.467271 7.414286 6.312716 4.348188 6.751584 8.470552 8.376133 6.523493 2.184061 3.605993 4.041913 5.106687 2.596612 4.489667 4.612647 6.100614 5.881637 4.408735 5.461446 1.118166 0.000000 6.643544 7.857243 8.238298 7.492677 6.218327 6.512958 8.641741 9.270409 8.038019 5.752370 3.130753 2.391165 4.552923 5.744318 4.330168 3.483355 5.283222 6.555896 6.552248 1.199950 2.033081 3.300060 4.313310 0.000000 6.370917 7.719519 8.538530 8.169171 6.892342 5.781755 8.247748 9.602326 8.992010 6.775902 2.393159 3.137002 4.527198 5.906749 3.489599 4.339048 4.972957 6.302130 5.955031 3.299980 4.309956 1.200241 2.034589 2.968423 0.000000 3.698504 4.298774 4.555976 4.269461 3.662790 3.975521 4.953826 5.353315 4.895206 3.894373 5.250320 5.291909 3.433456 3.359289 4.333331 4.397866 2.396490 1.468867 2.191130 6.596784 6.661782 6.415716 6.634587 7.646592 7.223233 0.000000 4.720106 5.547916 5.469361 4.541268 3.517823 5.144202 6.490716 6.375286 4.870910 2.980554 4.797791 4.132081 3.178357 3.653086 4.443317 3.147559 2.309015 1.471668 2.191505 5.025011 4.727827 6.090369 6.716967 6.198745 6.606112 2.576178 0.000000 4.715962 5.307057 4.932767 3.840467 3.028746 5.368596 6.312140 5.744324 3.948406 2.377310 5.426350 4.627501 3.574203 3.603223 5.012004 3.455023 3.024633 2.396181 3.308387 5.454665 5.049962 6.828689 7.440160 6.648288 7.406891 2.997953 1.208385 0.000000 3.287470 3.543586 3.557892 3.328427 3.059444 3.844251 4.238739 4.259447 3.899216 3.470444 5.706512 5.672364 3.653718 3.048837 4.703119 4.626023 2.969240 2.396761 3.313767 6.983320 7.015775 6.982061 7.161232 8.046331 7.876964 1.208878 3.036453 2.976934 0.000000 4.377677 4.958649 5.445347 5.404232 4.861280 4.378828 5.381285 6.171193 6.092629 5.181138 5.771158 6.078452 4.278377 4.336723 4.814636 5.376265 3.181790 2.310418 2.449545 7.417119 7.585911 6.713777 6.789020 8.388578 7.508352 1.342952 3.662256 4.260042 2.240720 0.000000 5.672231 6.648667 6.642745 5.661682 4.507943 5.958870 7.593204 7.591169 5.970854 3.811491 4.736488 3.899245 3.665336 4.536471 4.723496 3.215479 2.873385 2.301328 2.450022 4.481963 4.060233 5.871429 6.654434 5.624126 6.150027 3.682858 1.337249 2.243076 4.321465 4.550064 0.000000 4.618755 4.859567 5.381262 5.651374 5.423244 4.622969 5.035111 5.911085 6.339327 5.946781 6.750528 7.184876 5.208042 4.926506 5.651896 6.450970 4.307674 3.625702 3.863057 8.588957 8.808867 7.655180 7.565291 9.530059 8.547657 2.340863 4.881245 5.266703 2.631987 1.415197 5.887902 0.000000 3.863904 3.978600 4.647338 5.134422 5.016580 3.840926 4.022374 5.150661 5.918371 5.709513 6.460884 7.001992 4.916733 4.426587 5.263303 6.281060 4.261520 3.980693 4.343792 8.461857 8.769938 7.368106 7.174538 9.350293 8.360066 2.649076 5.199854 5.485742 2.628549 2.080084 6.272126 1.100473 0.000000 5.446493 5.740704 6.380080 6.709130 6.431945 5.276354 5.795973 6.893062 7.424819 6.943044 7.253816 7.818461 5.948823 5.823092 6.192523 7.208989 5.003851 4.325422 4.312085 9.214046 9.487443 7.990515 7.823748 10.100930 8.837027 3.232748 5.670358 6.186421 3.699901 2.018480 6.541427 1.095587 1.800088 0.000000 5.140741 5.167547 5.431655 5.660694 5.622028 5.339392 5.373132 5.818695 6.190785 6.109707 7.554807 7.833660 5.825385 5.375975 6.465672 6.971421 4.924417 4.020294 4.403048 9.200240 9.313205 8.561925 8.531340 10.205169 9.447783 2.657640 5.065027 5.258364 2.640342 2.080536 6.160929 1.099805 1.783423 1.800276 0.000000 6.461470 7.376961 7.185146 6.023245 4.906337 6.859536 8.394930 8.097915 6.139988 3.978594 5.329150 4.158648 4.403236 5.193448 5.525992 3.504272 3.947244 3.614421 3.865586 4.319355 3.578111 6.471958 7.374420 5.450019 6.620379 4.898174 2.337081 2.643260 5.328488 5.886112 1.417538 7.175905 7.509089 7.890694 7.362676 0.000000 6.967673 7.730100 7.365401 6.144488 5.207393 7.481905 8.762891 8.184749 6.087074 4.251917 6.320023 5.149833 5.160524 5.711667 6.404289 4.355751 4.649808 4.037312 4.407816 5.320596 4.511764 7.519932 8.391273 6.453638 7.709062 5.150527 2.640581 2.586646 5.450921 6.182215 2.083434 7.394069 7.788382 8.150212 7.418904 1.099247 0.000000 7.288978 8.293931 8.188320 7.051319 5.877072 7.577961 9.291112 9.129678 7.201719 4.961767 5.584815 4.415187 5.052643 6.038392 5.977690 4.058488 4.593392 4.313369 4.314739 4.302273 3.510925 6.536956 7.511492 5.315778 6.487385 5.697223 3.227381 3.707724 6.259737 6.549941 2.019129 7.901175 8.283670 8.521776 8.152468 1.095727 1.801072 0.000000 6.007848 6.915097 6.686595 5.476281 4.327299 6.457423 7.962435 7.611676 5.587596 3.328492 4.853647 3.529915 3.956091 4.681834 5.112714 2.823335 3.835402 3.919593 4.321434 3.607985 2.814491 6.070895 6.987373 4.755649 6.269528 5.114860 2.645301 2.702412 5.384815 6.214506 2.065676 7.445431 7.623250 8.231886 7.669489 1.100232 1.793866 1.802118 0.000000 C14H15BN3O6(2) 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 0 316.9772999999999 AuxInfo=1/0/N:3,2,4,1,5,20,22,12,11,13,16,15,14,24,25;32,36,18,26,27,29,28,30,31/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,11.2,12.2,14.1,15.1;3.3,4.3,5.3,6.1,7.1/rA:39nC3C3C3C3C3HHHHHC3C3B4NN2N2HC3HC3HC3HO1O1C3C3O1O1OOCHHHCHHH/rB:s1;s2;s3;s4;s1;s2;s3;s4;s5;;s11;;s1s5s13;s11s13;s12s13;s13;;s18;s12;s20;s11;s22;s20;s22;s18;s18;s27;s26;s26;s27;s30;s32;s32;s32;s31;s36;s36;s36;/rC:-1.3244,-2.3445,-.2083;-2.4517,-2.8898,-.7926;-2.9451,-2.3213,-1.9673;-2.2873,-1.2298,-2.5215;-1.1629,-.7269,-1.8875;-.8723,-2.7274,.7081;-2.9367,-3.7479,-.3273;-3.8396,-2.7277,-2.4431;-2.645,-.7468,-3.4303;-.6161,.1442,-2.2465;2.4498,-1.1844,.7985;2.6119,-.1981,-.3311;.4893,-.6286,.0004;-.7015,-1.2849,-.7566;1.2209,-1.5235,.9583;1.4828,.1095,-.8585;-.0636,.3112,.7369;-1.0506,1.6354,1.0187;-.5616,1.9561,1.9392;3.8855,.3017,-.9381;3.7376,1.2165,-1.5644;3.4912,-1.6706,1.7571;3.1635,-2.5796,2.3197;4.9478,-.2476,-.8398;4.537,-1.1206,1.9675;-2.3379,.9411,1.1545;-.6562,2.328,-.2185;-1.1996,2.243,-1.2944;-2.9919,.4489,.2648;-2.6905,.8562,2.4475;.4584,3.0366,-.0088;-3.8826,.145,2.7228;-3.8103,-.895,2.3704;-4.0093,.166,3.8108;-4.7459,.6169,2.2312;1.0786,3.577,-1.1633;.3917,4.2398,-1.7084;1.9481,4.1409,-.8076;1.3988,2.7601,-1.8271; 0.3084572 0.1754800 0.1579995 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 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= 1077 1076 1076 1077 1077 MxSgAt= 39 MxSgA2= 39. 1 open 1 1 1 -1182.38975017374 -1182.53758107691 -0.147830903171 -1182.99388317952 -0.456302102611 -1182.99499186102 -0.001108681495 -1182.99503893747 -0.000047076453 -1182.99505891545 -0.000019977980 -1182.99505996546 -0.000001050007 -1182.99506033341 -0.000000367949 -1182.99506042833 -0.000000094919 -1182.99506047662 -0.000000048296 -1182.99506049127 -0.000000014647 -1182.99506049739 -0.000000006122 -1182.99506049926 -0.000000001865 -1182.99506049991 -0.000000000655 -1182.99506050028 -0.000000000365 -1182.99506050039 -0.000000000114 -1182.99506050 16 0.7636 1.177497074220e+03 -6.936336622415e+03 2.491059135783e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570468976 LenY= 1569281966 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7636 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 C C C C C H H H H H C C B N N N H C H C H C H O O C C O O O O C H H H C H H H 13 13 13 13 13 1 1 1 1 1 13 13 11 14 14 14 1 13 1 13 1 13 1 17 17 13 13 17 17 17 17 13 1 1 1 13 1 1 1 0.00177 -0.00159 0.00156 -0.00180 0.00220 -0.00035 0.00014 -0.00031 0.00016 -0.00037 0.00578 0.00288 0.05487 -0.01231 0.00570 0.00099 -0.00057 0.09863 -0.00927 -0.00373 0.00011 -0.00297 -0.00012 0.00197 0.00265 -0.02743 -0.02754 0.00740 0.00868 0.00168 -0.00374 -0.00075 0.00081 0.00002 0.00075 -0.00104 0.00056 0.00001 0.00089 1.99312 -1.78939 1.75910 -2.01801 2.47701 -1.57259 0.62225 -1.40231 0.69757 -1.67249 6.49698 3.24232 78.70345 -3.97767 1.84281 0.31961 -2.56923 110.87788 -41.41579 -4.19261 0.50863 -3.34018 -0.51438 -1.19329 -1.60343 -30.83699 -30.96121 -4.48639 -5.26040 -1.02125 2.26588 -0.84729 3.64225 0.06860 3.35822 -1.16393 2.51400 0.03598 3.96359 0.71119 -0.63850 0.62769 -0.72007 0.88386 -0.56114 0.22203 -0.50038 0.24891 -0.59679 2.31828 1.15694 28.08335 -1.41933 0.65756 0.11405 -0.91677 39.56399 -14.77818 -1.49603 0.18149 -1.19186 -0.18354 -0.42579 -0.57214 -11.00341 -11.04773 -1.60086 -1.87704 -0.36441 0.80852 -0.30233 1.29965 0.02448 1.19829 -0.41532 0.89706 0.01284 1.41431 0.66483 -0.59687 0.58677 -0.67313 0.82624 -0.52456 0.20756 -0.46776 0.23269 -0.55788 2.16716 1.08152 26.25264 -1.32681 0.61469 0.10661 -0.85700 36.98488 -13.81482 -1.39850 0.16966 -1.11416 -0.17158 -0.39804 -0.53485 -10.28611 -10.32755 -1.49650 -1.75468 -0.34065 0.75582 -0.28262 1.21492 0.02288 1.12018 -0.38825 0.83858 0.01200 1.32211 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 0.000245 -0.000301 -0.000005 -0.000565 -0.003220 -0.001929 -0.000094 0.000939 -0.000209 -0.002781 -0.047358 -0.037800 -0.030113 -0.005921 0.025673 0.017593 -0.007288 -0.028917 -0.012703 0.005206 0.001039 0.007549 -0.000201 -0.030708 0.010611 0.004453 -0.007365 -0.025282 0.013541 -0.025883 -0.007382 0.000094 0.000392 0.000281 0.002685 0.000413 -0.000892 0.000553 0.000404 0.004765 0.000247 0.001462 -0.000870 0.005148 0.003086 0.000634 -0.000368 -0.000387 -0.000435 0.031374 0.030690 0.035650 0.002097 -0.048859 0.006007 0.036505 0.364129 -0.009997 -0.003339 -0.000531 0.000183 -0.000035 -0.007705 0.022862 -0.001093 -0.003792 0.150819 0.150758 0.070759 0.043528 0.000406 0.000048 -0.000985 -0.001902 0.001027 0.000901 0.000517 -0.000746 -0.005010 0.000054 -0.001457 0.001435 -0.001928 -0.001157 -0.000540 -0.000571 0.000596 0.003216 0.015984 0.007110 -0.005537 0.003824 0.023187 -0.023601 -0.029217 -0.335212 0.022700 -0.001867 -0.000507 -0.007731 0.000236 0.038413 -0.033473 -0.003361 0.011156 -0.125538 -0.164299 -0.044876 -0.036146 -0.000499 -0.000440 0.000703 -0.000783 -0.001440 -0.000009 -0.001070 0.000342 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 -0.013521 0.007286 -0.011324 0.007519 -0.014704 0.000545 0.000706 0.000932 0.000875 -0.000092 -0.006149 0.005459 -0.072996 0.012368 0.035073 0.034861 -0.060519 -0.499753 -0.006272 -0.004063 0.000632 0.000005 -0.001163 0.014049 -0.058504 0.016657 0.006221 -0.195459 -0.238536 -0.045181 -0.044479 0.001460 0.001977 0.000779 0.000812 0.000726 0.001404 0.001630 0.001096 -0.011240 0.006242 -0.010170 0.006693 -0.010095 0.000194 0.000672 0.001109 0.000851 -0.000781 -0.000985 0.001422 -0.058298 0.010565 0.035912 0.035137 -0.026054 -0.104398 0.032857 -0.005254 -0.001701 0.005224 0.001119 0.024037 -0.031472 -0.000364 0.000755 -0.050195 0.016389 0.001178 -0.014476 -0.002336 -0.001691 -0.001987 -0.001666 -0.001736 -0.000815 -0.000958 -0.002088 0.014014 -0.004824 0.013158 -0.004475 0.016847 -0.000863 0.000406 0.001731 0.001073 0.001280 0.070170 0.058860 0.090702 -0.012656 -0.040212 -0.029455 0.039073 0.154004 0.028055 -0.007064 -0.000797 -0.007722 -0.001488 0.050344 0.037361 0.002870 -0.010756 0.083350 -0.016949 -0.021631 0.011833 -0.001742 -0.001180 -0.000803 -0.000190 -0.000794 -0.002133 -0.000933 -0.001255 0.2413 -0.4411 0.8644 0.7951 0.6006 0.0845 -0.5564 0.6669 0.4957 -0.0153 -0.0112 0.0265 -2.053 -1.498 3.551 -0.733 -0.535 1.267 -0.685 -0.5 1.185 1 C 13 0.6238 -0.5682 -0.5367 0.1794 -0.5643 0.8059 0.7607 0.599 0.25 -0.0123 0.0048 0.0075 -1.652 0.647 1.005 -0.589 0.231 0.359 -0.551 0.216 0.335 2 C 13 0.0054 -0.6647 0.7471 0.8363 0.4126 0.361 -0.5482 0.6229 0.5581 -0.0132 -0.01 0.0232 -1.776 -1.339 3.115 -0.634 -0.478 1.112 -0.592 -0.447 1.039 3 C 13 0.6388 -0.5926 -0.4907 0.1195 0.7065 -0.6976 0.76 0.387 0.5221 -0.0127 0.0048 0.0079 -1.702 0.647 1.055 -0.607 0.231 0.376 -0.568 0.216 0.352 4 C 13 0.3413 0.717 -0.6078 0.8041 0.1121 0.5838 -0.4867 0.688 0.5383 -0.0161 -0.0126 0.0287 -2.165 -1.691 3.855 -0.772 -0.603 1.376 -0.722 -0.564 1.286 5 C 13 0.9292 -0.1539 -0.336 0.3571 0.14 0.9235 0.0951 0.9781 -0.1851 -0.0021 -0.0012 0.0033 -1.115 -0.647 1.762 -0.398 -0.231 0.629 -0.372 -0.216 0.588 6 H 1 -0.6157 0.0696 0.7849 -0.57 0.6484 -0.5046 0.5441 0.7581 0.3596 -0.001 -3.0E-4 0.0013 -0.55 -0.162 0.711 -0.196 -0.058 0.254 -0.183 -0.054 0.237 7 H 1 -0.0653 -0.6647 0.7443 0.7424 -0.5308 -0.4088 0.6668 0.5258 0.5281 -0.0022 -3.0E-4 0.0026 -1.181 -0.18 1.361 -0.422 -0.064 0.486 -0.394 -0.06 0.454 8 H 1 -0.4932 0.831 -0.2573 0.7211 0.2251 -0.6553 0.4866 0.5087 0.7103 -0.0012 -7.0E-4 0.0019 -0.661 -0.379 1.039 -0.236 -0.135 0.371 -0.22 -0.126 0.347 9 H 1 0.9905 -0.0327 0.1336 0.0705 0.9549 -0.2885 -0.1182 0.2952 0.9481 -0.0029 -8.0E-4 0.0037 -1.539 -0.442 1.98 -0.549 -0.158 0.707 -0.513 -0.147 0.661 10 H 1 0.7393 0.469 -0.4832 0.6724 -0.4748 0.5679 -0.0369 0.7447 0.6663 -0.0506 -0.0438 0.0945 -6.792 -5.884 12.676 -2.424 -2.1 4.523 -2.266 -1.963 4.228 11 C 13 0.474 -0.5735 0.6682 0.8794 0.2706 -0.3916 0.0438 0.7732 0.6326 -0.0424 -0.0368 0.0792 -5.69 -4.932 10.622 -2.03 -1.76 3.79 -1.898 -1.645 3.543 12 C 13 0.0152 -0.6179 0.7861 0.8928 0.3624 0.2676 -0.4502 0.6978 0.5571 -0.078 -0.0772 0.1552 -13.347 -13.22 26.567 -4.763 -4.717 9.48 -4.452 -4.41 8.862 13 B 11 0.6648 -0.554 -0.501 0.7442 0.4338 0.5079 0.0641 0.7106 -0.7007 -0.0242 0.0085 0.0157 -0.933 0.328 0.605 -0.333 0.117 0.216 -0.311 0.109 0.202 14 N 14 -0.3909 0.8157 0.4263 0.5995 0.5771 -0.5546 0.6984 -0.0388 0.7146 -0.0867 0.0262 0.0605 -3.343 1.011 2.332 -1.193 0.361 0.832 -1.115 0.337 0.778 15 N 14 -0.4913 0.5065 0.7086 0.3017 -0.6642 0.684 0.8171 0.5498 0.1735 -0.069 0.0205 0.0485 -2.662 0.791 1.871 -0.95 0.282 0.668 -0.888 0.264 0.624 16 N 14 0.7224 0.6318 -0.2811 0.4371 -0.1021 0.8936 -0.5359 0.7684 0.3499 -0.0501 -0.0464 0.0965 -26.72 -24.769 51.489 -9.534 -8.838 18.372 -8.913 -8.262 17.175 17 H 1 0.7879 0.5801 -0.2067 0.2675 -0.0201 0.9634 -0.5547 0.8143 0.171 -0.3695 -0.3674 0.7369 -49.582 -49.303 98.885 -17.692 -17.592 35.285 -16.539 -16.446 32.984 18 C 13 0.6465 0.5423 -0.5366 -0.646 0.7633 -0.0069 0.4059 0.3511 0.8438 -0.0452 -0.0049 0.0502 -24.136 -2.637 26.773 -8.612 -0.941 9.553 -8.051 -0.879 8.93 19 H 1 0.3533 0.6779 0.6447 -0.2733 0.7339 -0.6219 0.8947 -0.0436 -0.4446 -0.0122 0.0042 0.008 -1.634 0.558 1.075 -0.583 0.199 0.384 -0.545 0.186 0.359 20 C 13 0.4409 0.327 0.8359 -0.4343 0.8927 -0.1201 0.7855 0.31 -0.5356 -0.0017 -7.0E-4 0.0024 -0.916 -0.39 1.306 -0.327 -0.139 0.466 -0.305 -0.13 0.436 21 H 1 -0.2119 0.4826 0.8498 0.4535 0.8189 -0.3519 0.8657 -0.3108 0.3923 -0.0134 0.0035 0.0099 -1.801 0.47 1.33 -0.643 0.168 0.475 -0.601 0.157 0.444 22 C 13 0.2747 0.8006 0.5325 0.8172 0.0974 -0.5681 0.5067 -0.5912 0.6275 -0.0014 -0.0011 0.0025 -0.759 -0.596 1.356 -0.271 -0.213 0.484 -0.253 -0.199 0.452 23 H 1 0.3778 0.7241 -0.577 0.892 -0.4518 0.0172 0.2482 0.5212 0.8165 -0.0405 -0.0374 0.0779 2.93 2.703 -5.634 1.046 0.965 -2.01 0.977 0.902 -1.879 24 O 17 0.1278 -0.3597 0.9243 0.7725 0.6205 0.1347 -0.622 0.6968 0.3572 -0.0524 -0.0419 0.0942 3.789 3.029 -6.818 1.352 1.081 -2.433 1.264 1.011 -2.274 25 O 17 -0.6273 0.7542 -0.1941 -0.1802 0.1019 0.9783 0.7576 0.6487 0.072 -0.0157 -0.003 0.0187 -2.105 -0.402 2.507 -0.751 -0.143 0.894 -0.702 -0.134 0.836 26 C 13 -0.6476 0.6953 0.3117 0.756 0.535 0.3772 -0.0955 -0.4799 0.8721 -0.0144 -0.0026 0.017 -1.933 -0.347 2.28 -0.69 -0.124 0.814 -0.645 -0.116 0.761 27 C 13 0.6782 0.5648 -0.4701 0.5113 0.0968 0.854 -0.5278 0.8195 0.2231 -0.1533 -0.1461 0.2994 11.09 10.574 -21.664 3.957 3.773 -7.73 3.699 3.527 -7.226 28 O 17 -0.6145 -0.4236 0.6655 0.511 0.429 0.7449 -0.601 0.7978 -0.0471 -0.1686 -0.1628 0.3315 12.203 11.781 -23.984 4.354 4.204 -8.558 4.07 3.93 -8.0 29 O 17 0.508 0.325 0.7977 0.7843 0.2082 -0.5844 -0.356 0.9225 -0.1492 -0.0529 -0.0388 0.0917 3.831 2.804 -6.635 1.367 1.001 -2.367 1.278 0.935 -2.213 30 O 17 0.5358 0.1617 0.8287 0.6775 0.5033 -0.5363 -0.5038 0.8489 0.1601 -0.0432 -0.029 0.0722 3.126 2.096 -5.221 1.115 0.748 -1.863 1.043 0.699 -1.742 31 O 17 0.5888 0.1708 0.79 -0.5441 0.8066 0.2311 0.5977 0.5659 -0.5679 -0.0026 -0.0011 0.0037 -0.351 -0.145 0.496 -0.125 -0.052 0.177 -0.117 -0.048 0.165 32 C 13 0.7451 -0.4561 0.4866 -0.0609 0.6801 0.7306 0.6641 0.574 -0.479 -0.0019 -0.0014 0.0033 -1.026 -0.746 1.771 -0.366 -0.266 0.632 -0.342 -0.249 0.591 33 H 1 0.7644 -0.1921 0.6154 -0.0369 0.94 0.3392 -0.6437 -0.282 0.7115 -0.0015 -0.0013 0.0028 -0.808 -0.696 1.504 -0.288 -0.248 0.537 -0.27 -0.232 0.502 34 H 1 -0.2132 0.9676 -0.1349 0.3333 0.2018 0.921 0.9184 0.1514 -0.3655 -0.0021 -0.0014 0.0035 -1.096 -0.761 1.858 -0.391 -0.272 0.663 -0.366 -0.254 0.62 35 H 1 0.4912 0.0936 0.866 -0.5899 0.7673 0.2516 0.6409 0.6345 -0.4321 -0.0025 2.0E-4 0.0023 -0.337 0.028 0.309 -0.12 0.01 0.11 -0.112 0.009 0.103 36 C 13 -0.5021 0.6712 0.5454 0.7854 0.0899 0.6125 0.3621 0.7358 -0.5722 -0.0019 -0.0014 0.0032 -1.004 -0.729 1.734 -0.358 -0.26 0.619 -0.335 -0.243 0.578 37 H 1 0.2562 0.2222 0.9407 -0.697 0.7167 0.0206 0.6697 0.661 -0.3385 -0.0016 -0.0011 0.0026 -0.828 -0.584 1.412 -0.295 -0.208 0.504 -0.276 -0.195 0.471 38 H 1 PT14767.500S 2024-07-10T11:15:27.000 -19.30572 -19.29832 -19.25129 -19.24967 -19.24151 -19.23591 -14.53472 -14.42524 -14.42514 -10.42405 -10.41985 -10.37711 -10.37550 -10.37370 -10.37370 -10.35387 -10.34708 -10.34203 -10.34057 -10.34025 -10.33808 -10.33567 -10.33494 -6.86238 -1.22449 -1.21693 -1.15830 -1.15306 -1.13181 -1.12585 -1.12259 -1.06117 -0.96830 -0.95856 -0.91630 -0.90523 -0.84343 -0.80708 -0.79753 -0.78572 -0.77632 -0.74749 -0.70249 -0.69309 -0.68369 -0.65567 -0.62742 -0.62689 -0.61627 -0.60773 -0.60246 -0.59954 -0.59430 -0.58090 -0.57770 -0.57134 -0.56546 -0.56508 -0.55705 -0.55003 -0.54664 -0.53129 -0.51890 -0.51225 -0.50953 -0.50587 -0.50334 -0.49311 -0.48979 -0.48224 -0.47384 -0.46909 -0.45503 -0.44555 -0.42749 -0.41055 -0.40362 -0.39865 -0.39611 -0.39186 -0.37900 -0.37345 -0.36492 -0.35391 -0.34188 -0.33148 -0.28575 -0.02431 -0.01270 0.00395 0.01563 0.06490 0.08319 0.09844 0.11476 0.12232 0.13327 0.13657 0.13996 0.14700 0.14923 0.15640 0.15946 0.16553 0.16998 0.17501 0.17549 0.17770 0.18313 0.18835 0.18948 0.19216 0.19348 0.21222 0.21871 0.22167 0.23128 0.23822 0.24084 0.24672 0.24900 0.25883 0.26286 0.27026 0.27466 0.27878 0.28585 0.29031 0.29302 0.29555 0.30184 0.30447 0.30813 0.31460 0.31834 0.32367 0.32823 0.33031 0.33252 0.34136 0.34883 0.35731 0.35996 0.36879 0.37465 0.37674 0.38229 0.38479 0.38896 0.39498 0.39645 0.40045 0.40911 0.41373 0.41936 0.42288 0.43062 0.43394 0.43769 0.44341 0.44385 0.44718 0.45050 0.45388 0.46034 0.46505 0.46713 0.47111 0.47400 0.47717 0.48025 0.48482 0.48873 0.49186 0.49669 0.50069 0.50224 0.50715 0.51137 0.51426 0.52072 0.52492 0.52725 0.52988 0.53511 0.53914 0.54393 0.54762 0.55327 0.55744 0.56342 0.56645 0.56864 0.57319 0.57693 0.58378 0.58628 0.59507 0.59914 0.60181 0.60725 0.61349 0.61505 0.62227 0.62939 0.63403 0.63847 0.64029 0.65401 0.66168 0.66494 0.67014 0.67327 0.68893 0.69197 0.69427 0.69881 0.70356 0.70909 0.71631 0.71887 0.72370 0.73141 0.73863 0.74325 0.75042 0.75553 0.76087 0.76756 0.77598 0.77727 0.78346 0.78815 0.80152 0.80764 0.81360 0.81718 0.82184 0.82972 0.83359 0.83957 0.84037 0.84709 0.85619 0.86077 0.86206 0.87082 0.87234 0.88029 0.89013 0.89594 0.89906 0.90270 0.90935 0.91313 0.91888 0.92284 0.93184 0.93485 0.95130 0.96172 0.96493 0.97313 0.97545 0.97912 0.99719 0.99902 1.00237 1.00928 1.01663 1.01942 1.02202 1.02764 1.03240 1.04118 1.04891 1.05110 1.06153 1.06528 1.07545 1.07874 1.08581 1.08958 1.09653 1.10757 1.10841 1.11717 1.12131 1.12927 1.13736 1.13858 1.14560 1.15019 1.15730 1.15838 1.16451 1.17270 1.17736 1.18211 1.18736 1.19647 1.19673 1.20189 1.21185 1.21877 1.22502 1.23593 1.23705 1.24370 1.25238 1.25490 1.26890 1.27138 1.27875 1.28413 1.29122 1.30503 1.31534 1.31931 1.33324 1.33896 1.34382 1.34833 1.35532 1.36016 1.36256 1.36681 1.37521 1.37921 1.39532 1.39997 1.40172 1.40516 1.41521 1.42215 1.42347 1.43355 1.43387 1.44599 1.45031 1.45819 1.47171 1.47442 1.47995 1.48470 1.49409 1.49782 1.50141 1.50384 1.51183 1.51646 1.52077 1.52660 1.52844 1.53190 1.54025 1.54965 1.55656 1.56403 1.57147 1.57338 1.58417 1.59664 1.59731 1.60670 1.61388 1.61426 1.63402 1.63927 1.64098 1.64666 1.65370 1.65631 1.66171 1.66712 1.67124 1.68566 1.69131 1.70282 1.71200 1.72070 1.72474 1.72786 1.73357 1.74344 1.75239 1.75870 1.76070 1.77235 1.77970 1.78815 1.80256 1.81304 1.82574 1.83030 1.83968 1.84368 1.85707 1.86704 1.87785 1.88003 1.88592 1.89253 1.90081 1.91508 1.92244 1.93063 1.94496 1.95201 1.96116 1.96929 1.98140 1.98248 1.99468 2.00192 2.01511 2.01796 2.03485 2.03888 2.04508 2.05002 2.05858 2.07169 2.07539 2.07782 2.09349 2.10220 2.10799 2.11378 2.13285 2.13898 2.14235 2.14707 2.16026 2.17238 2.17361 2.18689 2.19210 2.20151 2.21012 2.21621 2.23172 2.23874 2.25796 2.26516 2.28118 2.29353 2.30213 2.30909 2.31376 2.33348 2.35389 2.35721 2.37651 2.38113 2.38858 2.39187 2.40136 2.40574 2.41179 2.42494 2.42807 2.43976 2.44420 2.45355 2.45937 2.47330 2.47849 2.48302 2.49179 2.49816 2.52105 2.52238 2.53593 2.55337 2.56600 2.57050 2.58947 2.59576 2.60731 2.61204 2.62451 2.63276 2.63578 2.64461 2.64736 2.66079 2.66281 2.67123 2.67832 2.69351 2.71274 2.72590 2.73274 2.74471 2.74678 2.76016 2.76342 2.77747 2.79618 2.79675 2.80352 2.81327 2.82280 2.82553 2.83936 2.84788 2.85056 2.85269 2.86235 2.86623 2.86755 2.87394 2.88317 2.89140 2.89638 2.90036 2.90995 2.91273 2.92092 2.92824 2.93747 2.94059 2.94676 2.94915 2.95933 2.96557 2.96694 2.97903 2.98426 2.99514 2.99838 2.99904 3.00460 3.02312 3.02521 3.02980 3.03479 3.03956 3.04434 3.04627 3.05579 3.06081 3.06677 3.06703 3.07751 3.08051 3.08696 3.09314 3.09825 3.10193 3.10769 3.11831 3.12093 3.12211 3.13394 3.13978 3.15177 3.15559 3.16162 3.16630 3.17123 3.18859 3.19355 3.19514 3.20030 3.20687 3.21142 3.22082 3.22297 3.22658 3.24634 3.24715 3.25034 3.25361 3.26177 3.26557 3.27147 3.27924 3.28391 3.29280 3.29468 3.30489 3.30656 3.31133 3.31841 3.32696 3.33352 3.33990 3.35129 3.35574 3.35753 3.36182 3.37051 3.37554 3.38175 3.38451 3.39315 3.39875 3.40527 3.41160 3.41353 3.41882 3.43103 3.43797 3.44010 3.44545 3.45850 3.46742 3.47283 3.47807 3.48395 3.48700 3.49896 3.50318 3.51092 3.51534 3.52182 3.52446 3.52592 3.53750 3.54125 3.54753 3.55394 3.55439 3.56135 3.56601 3.56827 3.57262 3.58158 3.58887 3.59977 3.60663 3.61153 3.62410 3.63156 3.63967 3.64214 3.65259 3.67099 3.67588 3.68237 3.68623 3.69734 3.70479 3.71187 3.72598 3.72847 3.73467 3.74036 3.75239 3.75577 3.75943 3.77305 3.78031 3.78790 3.80128 3.80229 3.81038 3.82599 3.83091 3.84022 3.85668 3.86025 3.86890 3.87204 3.87627 3.87941 3.88716 3.88871 3.89563 3.90213 3.90973 3.91817 3.91900 3.92922 3.93180 3.93340 3.94179 3.95601 3.96320 3.97525 3.99144 4.00237 4.01126 4.01548 4.01681 4.02415 4.04288 4.04395 4.06212 4.06810 4.07383 4.07739 4.07954 4.08449 4.09138 4.09561 4.10033 4.11113 4.11754 4.12467 4.12894 4.14897 4.16165 4.17350 4.18854 4.19380 4.19607 4.20318 4.21201 4.22361 4.23285 4.24198 4.25286 4.26360 4.26863 4.28048 4.28411 4.29165 4.30375 4.31724 4.32229 4.32691 4.33355 4.34700 4.35274 4.36962 4.38125 4.39256 4.40153 4.41967 4.42537 4.43910 4.44503 4.45075 4.46208 4.46854 4.48686 4.49519 4.50269 4.51558 4.52969 4.53143 4.54967 4.56165 4.57873 4.58680 4.60145 4.60804 4.61571 4.62797 4.62865 4.63791 4.64669 4.66366 4.67031 4.67936 4.69116 4.69578 4.70030 4.70965 4.73522 4.74232 4.75280 4.76679 4.77274 4.78135 4.78943 4.80849 4.81849 4.83683 4.85189 4.87369 4.89348 4.90023 4.90943 4.93857 4.93981 4.94466 4.95772 4.97378 4.98859 4.99633 5.00375 5.00684 5.01446 5.03116 5.03696 5.03899 5.05536 5.06535 5.07341 5.08817 5.09190 5.10017 5.11202 5.12452 5.14209 5.14917 5.15805 5.17301 5.17530 5.17913 5.19131 5.19684 5.21097 5.21416 5.22845 5.23731 5.24164 5.25591 5.26161 5.27397 5.27849 5.28246 5.28315 5.28832 5.29569 5.29805 5.31069 5.31411 5.31516 5.32182 5.33087 5.34144 5.34388 5.34515 5.35466 5.35842 5.36704 5.38512 5.39491 5.40656 5.43219 5.44372 5.45613 5.45761 5.47769 5.49044 5.50655 5.51944 5.51950 5.52975 5.54354 5.55492 5.58793 5.59737 5.60589 5.61156 5.61929 5.63040 5.63647 5.65265 5.66464 5.67567 5.67968 5.69396 5.72362 5.73541 5.73772 5.76248 5.76743 5.77260 5.77844 5.80605 5.81685 5.89092 5.89661 5.91659 5.93313 5.94449 5.95053 6.05813 6.06189 6.07949 6.08566 6.11422 6.14334 6.16620 6.22386 6.24394 6.26077 6.27454 6.27933 6.28428 6.29069 6.32643 6.33915 6.36923 6.45862 6.47193 6.47847 6.47921 6.51926 6.52285 6.54311 6.57027 6.58417 6.63850 6.64024 6.67313 6.68635 6.79914 6.81427 6.82140 6.82825 6.85710 6.89380 6.90524 6.91327 6.95033 6.96326 6.97929 7.00712 7.04245 7.07142 7.11323 7.15880 7.17443 7.17665 7.17898 7.18755 7.20665 7.27478 7.29225 7.45682 7.54152 7.56470 7.57742 16.11199 23.05915 23.13179 23.18498 23.20607 23.26065 23.26738 23.38701 23.40115 23.50040 23.52673 23.56967 23.67106 23.73854 23.88151 32.56722 32.62475 33.02264 43.93839 43.98871 44.12852 44.15976 44.39209 44.45327 -19.30520 -19.29794 -19.25086 -19.24918 -19.23964 -19.23424 -14.53516 -14.42570 -14.42564 -10.42466 -10.42046 -10.37683 -10.37566 -10.37385 -10.37341 -10.35363 -10.34710 -10.34218 -10.33980 -10.33934 -10.33824 -10.33496 -10.32765 -6.85985 -1.22273 -1.21562 -1.15738 -1.15211 -1.12952 -1.12492 -1.11958 -1.06006 -0.96844 -0.95837 -0.91590 -0.88945 -0.84243 -0.80374 -0.79068 -0.78560 -0.77565 -0.74679 -0.70098 -0.69036 -0.68254 -0.65443 -0.62700 -0.62198 -0.61412 -0.60354 -0.60002 -0.59737 -0.59013 -0.57944 -0.57621 -0.56948 -0.56426 -0.56245 -0.55458 -0.54832 -0.54588 -0.52766 -0.51625 -0.50968 -0.50432 -0.50246 -0.49878 -0.49235 -0.48769 -0.47820 -0.47214 -0.46200 -0.45386 -0.44442 -0.42496 -0.39824 -0.39710 -0.39293 -0.38888 -0.38668 -0.37790 -0.37110 -0.36176 -0.35389 -0.34100 -0.32922 -0.07136 -0.02103 0.00283 0.00591 0.01777 0.07550 0.08616 0.09888 0.11529 0.12377 0.13546 0.13854 0.14728 0.14782 0.15134 0.15829 0.16034 0.16793 0.17492 0.17585 0.17618 0.17891 0.18406 0.18886 0.19063 0.19342 0.19409 0.21384 0.21956 0.22341 0.23168 0.23871 0.24176 0.24758 0.24967 0.25939 0.26338 0.27073 0.27498 0.27996 0.28639 0.29151 0.29418 0.29603 0.30389 0.30620 0.30826 0.31611 0.31867 0.32579 0.32967 0.33133 0.33441 0.34418 0.35270 0.35867 0.36184 0.36937 0.37594 0.37785 0.38246 0.38493 0.38959 0.39633 0.39802 0.40132 0.41024 0.41507 0.42119 0.42520 0.43153 0.43526 0.43872 0.44377 0.44472 0.44776 0.45315 0.45606 0.46203 0.46598 0.47023 0.47214 0.47498 0.47792 0.48068 0.48612 0.48973 0.49259 0.49806 0.50170 0.50253 0.50803 0.51223 0.51562 0.52196 0.52597 0.52774 0.53079 0.53614 0.54131 0.54447 0.54861 0.55385 0.55899 0.56399 0.56701 0.57040 0.57346 0.57775 0.58419 0.58689 0.59575 0.60035 0.60272 0.60892 0.61409 0.61580 0.62333 0.62999 0.63467 0.63950 0.64151 0.65487 0.66223 0.66538 0.67170 0.67440 0.69059 0.69316 0.69559 0.69959 0.70475 0.71123 0.71686 0.71944 0.72460 0.73188 0.73936 0.74429 0.75116 0.75654 0.76208 0.76856 0.77661 0.77808 0.78511 0.78871 0.80261 0.80829 0.81457 0.81776 0.82238 0.83069 0.83455 0.84008 0.84116 0.84811 0.85735 0.86197 0.86292 0.87193 0.87306 0.88180 0.89108 0.89733 0.89965 0.90429 0.90966 0.91486 0.92126 0.92388 0.93256 0.93586 0.95228 0.96299 0.96573 0.97397 0.97709 0.97973 0.99824 0.99974 1.00295 1.00991 1.01730 1.02011 1.02287 1.02864 1.03368 1.04183 1.05044 1.05214 1.06375 1.06636 1.07652 1.07960 1.08646 1.09064 1.09702 1.10818 1.10999 1.11876 1.12249 1.12993 1.13803 1.13956 1.14649 1.15191 1.15813 1.16022 1.16574 1.17335 1.17933 1.18291 1.18840 1.19718 1.19740 1.20264 1.21265 1.21935 1.22595 1.23684 1.23756 1.24463 1.25317 1.25603 1.27029 1.27212 1.28000 1.28510 1.29315 1.30707 1.31744 1.32056 1.33533 1.33995 1.34486 1.34929 1.35590 1.36162 1.36444 1.36909 1.37656 1.38104 1.39618 1.40099 1.40330 1.40686 1.41660 1.42318 1.42459 1.43570 1.43640 1.44701 1.45144 1.45914 1.47297 1.47501 1.48218 1.48732 1.49464 1.49922 1.50291 1.50594 1.51436 1.51717 1.52300 1.52728 1.52917 1.53413 1.54169 1.55186 1.55772 1.56531 1.57272 1.57504 1.58529 1.59802 1.59818 1.60845 1.61485 1.61705 1.63518 1.64008 1.64162 1.64740 1.65431 1.65706 1.66376 1.66839 1.67207 1.68683 1.69202 1.70371 1.71281 1.72175 1.72586 1.72890 1.73498 1.74443 1.75348 1.75982 1.76212 1.77426 1.78083 1.78915 1.80447 1.81553 1.82749 1.83265 1.84080 1.84543 1.85853 1.86890 1.87867 1.88289 1.88791 1.89501 1.90234 1.91673 1.92527 1.93217 1.94693 1.95417 1.96392 1.97075 1.98315 1.98444 1.99601 2.00364 2.01721 2.02022 2.03702 2.04161 2.04744 2.05261 2.06010 2.07433 2.07800 2.07934 2.09588 2.10381 2.11011 2.11707 2.13436 2.14115 2.14422 2.14893 2.16254 2.17521 2.17544 2.18852 2.19552 2.20365 2.21381 2.21819 2.23483 2.24142 2.26033 2.26883 2.28303 2.29721 2.30453 2.31159 2.31536 2.33605 2.35706 2.35953 2.37901 2.38307 2.38953 2.39327 2.40369 2.40712 2.41352 2.42774 2.42907 2.44147 2.44599 2.45615 2.46122 2.47505 2.48055 2.48517 2.49338 2.50081 2.52325 2.52541 2.53835 2.55487 2.57028 2.57211 2.59367 2.59894 2.60894 2.61499 2.62682 2.63417 2.63765 2.64630 2.65017 2.66179 2.66533 2.67675 2.67958 2.69555 2.71493 2.72753 2.73571 2.74549 2.74829 2.76173 2.76581 2.77992 2.79734 2.79874 2.80436 2.81463 2.82420 2.82751 2.84058 2.84879 2.85166 2.85378 2.86346 2.86689 2.86828 2.87585 2.88464 2.89264 2.89726 2.90268 2.91237 2.91368 2.92328 2.93050 2.94101 2.94436 2.94840 2.95106 2.96074 2.96740 2.96956 2.98027 2.98654 2.99726 2.99965 3.00088 3.00624 3.02461 3.02618 3.03101 3.03714 3.04117 3.04556 3.04812 3.05723 3.06153 3.06836 3.06860 3.07911 3.08157 3.08813 3.09423 3.09926 3.10383 3.10798 3.11929 3.12184 3.12373 3.13514 3.14124 3.15263 3.15760 3.16350 3.16884 3.17227 3.18963 3.19525 3.19603 3.20179 3.20870 3.21290 3.22288 3.22494 3.22839 3.24762 3.24884 3.25208 3.25445 3.26414 3.26705 3.27261 3.27994 3.28511 3.29401 3.29696 3.30562 3.30858 3.31439 3.31955 3.32813 3.33675 3.34214 3.35282 3.35671 3.35892 3.36334 3.37181 3.37835 3.38487 3.38543 3.39385 3.40226 3.40878 3.41382 3.41536 3.42025 3.43414 3.43887 3.44269 3.44806 3.46071 3.46837 3.47424 3.48060 3.48503 3.49004 3.50040 3.50450 3.51221 3.51650 3.52367 3.52571 3.52845 3.53832 3.54203 3.54888 3.55517 3.55631 3.56356 3.56708 3.56957 3.57507 3.58260 3.59013 3.60136 3.60797 3.61313 3.62609 3.63268 3.64172 3.64304 3.65623 3.67290 3.67687 3.68403 3.68969 3.69965 3.70789 3.71343 3.72849 3.72955 3.73544 3.74097 3.75316 3.75792 3.76056 3.77485 3.78162 3.78967 3.80217 3.80380 3.81160 3.82653 3.83219 3.84154 3.85772 3.86240 3.87135 3.87349 3.87764 3.88041 3.88780 3.88984 3.89691 3.90340 3.91030 3.91957 3.92016 3.93154 3.93283 3.93555 3.94268 3.95739 3.96463 3.97727 3.99294 4.00439 4.01167 4.01618 4.01764 4.02473 4.04352 4.04736 4.06276 4.06902 4.07459 4.07788 4.08058 4.08657 4.09153 4.09733 4.10225 4.11250 4.11812 4.12573 4.12957 4.14917 4.16224 4.17555 4.18932 4.19454 4.19675 4.20360 4.21320 4.22459 4.23349 4.24379 4.25551 4.26488 4.27378 4.28110 4.28614 4.29280 4.30438 4.31884 4.32296 4.32909 4.33406 4.34831 4.35298 4.37173 4.38305 4.39272 4.40166 4.42075 4.42633 4.44050 4.44556 4.45508 4.46279 4.46932 4.48728 4.49575 4.50326 4.51623 4.53037 4.53258 4.55012 4.56257 4.57990 4.58753 4.60232 4.60929 4.61628 4.62886 4.62896 4.63916 4.64762 4.66416 4.67135 4.67978 4.69208 4.69670 4.70042 4.71039 4.73545 4.74289 4.75394 4.76754 4.77308 4.78162 4.78988 4.80920 4.82049 4.83859 4.85400 4.87464 4.89512 4.90221 4.91077 4.94061 4.94085 4.94541 4.95861 4.97502 4.98961 4.99807 5.00436 5.00815 5.01564 5.03147 5.03772 5.03941 5.05631 5.06723 5.07464 5.09050 5.09295 5.10103 5.11384 5.12606 5.14660 5.15090 5.15873 5.17340 5.17572 5.18033 5.19168 5.19737 5.21239 5.21440 5.22895 5.23739 5.24189 5.25717 5.26232 5.27541 5.27935 5.28352 5.28451 5.28942 5.29648 5.30025 5.31168 5.31574 5.31694 5.32356 5.33234 5.34217 5.34430 5.34603 5.35543 5.35887 5.36798 5.38696 5.39530 5.40702 5.43580 5.44547 5.45772 5.45916 5.47983 5.49159 5.50740 5.52022 5.52107 5.53063 5.54634 5.55709 5.58952 5.59815 5.60732 5.61196 5.62025 5.63136 5.63750 5.65372 5.66571 5.67675 5.68086 5.69513 5.72444 5.73691 5.73814 5.76525 5.76918 5.77448 5.77907 5.80656 5.81709 5.89110 5.89726 5.91844 5.93391 5.94584 5.95179 6.05917 6.06203 6.08044 6.08623 6.11450 6.14514 6.16781 6.22388 6.24405 6.26186 6.27565 6.28038 6.28457 6.29217 6.33017 6.34223 6.37147 6.45998 6.47317 6.47996 6.48026 6.51974 6.52840 6.54488 6.57322 6.58791 6.64010 6.64177 6.67887 6.69199 6.80115 6.81456 6.82331 6.82978 6.85885 6.89431 6.90655 6.91450 6.95484 6.96698 6.97973 7.00917 7.04469 7.07335 7.11487 7.15921 7.17511 7.17739 7.18082 7.18935 7.20695 7.27665 7.29371 7.45757 7.54231 7.56548 7.57807 16.11600 23.05922 23.14373 23.18607 23.20606 23.26114 23.26847 23.38672 23.40090 23.50077 23.52671 23.56966 23.67100 23.73826 23.88169 32.56663 32.62422 33.02219 43.93883 43.98915 44.13021 44.16121 44.39262 44.45374 2-A. -7.9894 -2.4988 -1.4621 8.4978 -158.7414 -121.7587 -129.4487 20.5816 -6.1146 3.4155 -22.0918 14.8909 7.2009 20.5816 -6.1146 3.4155 -251.4273 10.6191 -8.2979 -8.8977 -2.9932 -12.1888 -53.9796 -0.1825 -4.5540 -23.0147 -6411.2327 -2409.1573 -1714.0803 246.3505 -176.0074 106.6900 -62.5555 -32.4827 0.7199 -1197.9786 -1135.6357 -729.8144 62.7603 0.4142 54.0540 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-NODO01 BPR 2024-07-10T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1182.9950605 S2=0.763606 S2-1=0. S2A=0.750133 RMSD=8.886e-09 Dipole=-3.1832246,-0.8903789,-0.5019075 Quadrupole=-15.5692989,10.140828,5.4284708,16.1268569,-4.359319,2.308737 PG=C01 [X(C14H15B1N3O6)] 0 -1.4070051154 -2.3006528622 -0.1473757713 0 -2.5617156783 -2.81907963 -0.7018801054 0 -3.0579522994 -2.2552608988 -1.8775684286 0 -2.3756673153 -1.1954139505 -2.4628134495 0 -1.2242341189 -0.7184105218 -1.8577866771 0 -0.9507392511 -2.6821400204 0.7675054357 0 -3.0654274201 -3.6528188108 -0.2128263222 0 -3.9735909009 -2.6406184216 -2.3301967185 0 -2.7341173627 -0.7168798878 -3.3735267596 0 -0.6564299518 0.1282247557 -2.2419907263 0 2.4202895393 -1.2464416794 0.7715742084 0 2.5933439171 -0.2854931407 -0.3781480911 0 0.4644401512 -0.6411786253 -0.0015256719 0 -0.7604416257 -1.2714485551 -0.7255028222 0 1.184310974 -1.5426866703 0.9590896126 0 1.465323879 0.0493459047 -0.890898871 0 -0.0444779516 0.3286612133 0.7277515777 0 -0.9830655271 1.688845603 1.0032379816 0 -0.4673048397 2.0093569035 1.9090864308 0 3.8710588868 0.1621137243 -1.0164082418 0 3.7412261954 1.0703202666 -1.6562569446 0 3.4628541707 -1.7494939147 1.7201452874 0 3.1164478121 -2.6375688413 2.3046277424 0 4.9167819972 -0.4195760542 -0.9270814417 0 4.5294957216 -1.2301391074 1.902146813 0 -2.2892780842 1.0391096296 1.1741822327 0 -0.5892633813 2.3468819449 -0.2528330674 0 -1.154663132 2.2609102996 -1.3173176436 0 -2.9749061142 0.5531757212 0.3051778948 0 -2.620815336 0.9881351652 2.47456857 0 0.5511476047 3.0223820584 -0.0756411459 0 -3.8299409277 0.3208006481 2.7835390251 0 -3.7975065398 -0.7269354426 2.4485191286 0 -3.9360121328 0.3647223097 3.8730944897 0 -4.6864232629 0.811914252 2.2989606131 0 1.1672048141 3.5223639105 -1.2503344607 0 0.4920933783 4.1976054595 -1.7949606461 0 2.0607837704 4.0638067766 -0.9202208846 0 1.4488784571 2.6841994886 -1.9050481524