Gaussian 16 GINC-NODO02 CECILIA coments ES64L-G16RevC.02 28-Jun-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 35 35 64 65 328 (5D, 7F) def2SVP 99 99 C1[X(C10H18BN2O4)] C1[X(C10H18BN2O4)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 222.92900000000003 0 2 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4552,1.1368,-.2452;3.3378,.2513,-.8353;3.1886,-.995,-.2131;1.8122,.4424,.7529;.9376,.6764,1.2092;4.0368,.4842,-1.635;2.199,-.879,.7564;2.1686,2.573,-.5081;1.1338,2.7247,-.8579;2.3189,3.1868,.396;2.8431,2.9491,-1.2874;3.8718,-2.2884,-.4575;3.165,-3.0643,-.7994;4.6472,-2.1634,-1.2244;4.3465,-2.6751,.4601;1.6193,-1.8577,1.614;-.3818,-1.0845,-.0262;-1.1402,-.5775,-.6417;-.9112,-.749,-1.7018;-2.4746,-1.2258,-.3277;-1.1363,.9094,-.3949;-2.6235,-2.3874,-.0742;-3.4749,-.3411,-.3925;-1.1208,1.7618,-1.2393;-1.1463,1.1841,.9235;-4.7772,-.8394,-.125;-1.2962,2.5514,1.2829;-5.4577,.0128,-.2267;-5.0457,-1.6289,-.8412;-4.833,-1.2538,.8917;-1.3867,2.5711,2.3744;-.4239,3.1401,.9639;-2.1963,2.9749,.8166;2.0241,-2.9874,1.5441;.7472,-1.4826,2.3614; /usr/local/CompChem/Gaussian/g16/g16 Output=71_a_2COOMe.log chk=71_a_2COOMe.chk Mem=24000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=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 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 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 12 12 12 14 1 1 14 12 1 1 1 12 1 1 1 11 1 12 1 12 12 16 16 16 16 12 12 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 1 1 2 0 1 1 1 0 1 1 1 3 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 1 1 1 2 2 3 3 4 4 5 7 8 8 8 12 12 12 16 16 17 18 18 18 20 20 21 21 23 25 26 26 26 27 27 27 2 4 8 3 6 7 12 5 7 25 16 9 10 11 13 14 15 34 35 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 1.3825 1.3754 1.4879 1.4009 1.0873 1.3903 1.4831 1.0139 1.3769 2.1638 1.4245 1.1028 1.103 1.0972 1.1039 1.0978 1.1031 1.202 1.2082 1.1005 1.0981 1.5164 1.5073 1.1982 1.337 1.2 1.3467 1.4198 1.4217 1.0953 1.0992 1.0993 1.0954 1.0997 1.0987 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 2 2 4 1 1 3 2 2 7 1 1 5 4 3 3 4 1 1 1 9 9 10 3 3 3 13 13 14 7 7 34 17 17 17 19 19 20 18 18 22 18 18 24 20 5 5 21 23 23 23 28 28 29 25 25 25 31 31 32 1 1 1 2 2 2 3 3 3 4 4 4 5 7 7 7 8 8 8 8 8 8 12 12 12 12 12 12 16 16 16 18 18 18 18 18 18 20 20 20 21 21 21 23 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 4 8 8 3 6 6 7 12 12 5 7 7 25 4 16 16 9 10 11 10 11 11 13 14 15 14 15 15 34 35 35 19 20 21 20 21 21 22 23 23 24 25 25 26 21 27 27 28 29 30 29 30 30 31 32 33 32 33 33 106.545 131.7458 121.7004 108.1953 125.955 125.845 108.1402 130.8177 121.0331 127.8325 110.8009 117.5557 145.6397 106.1519 130.7082 123.1341 111.6866 111.4716 109.7443 108.1429 107.723 107.9238 111.6601 109.9452 111.5264 108.418 106.6701 108.4855 118.2692 116.9249 124.8057 108.9183 107.0784 111.173 108.4615 108.1563 112.9622 124.5815 111.435 123.9731 125.8446 111.1891 122.9656 116.415 94.2632 107.0865 116.3868 106.2167 110.6973 110.6765 110.2773 110.339 108.6305 106.141 110.9732 110.4764 110.1759 110.3799 108.6878 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 4 4 8 8 2 2 8 8 2 2 2 4 4 4 1 1 6 6 2 2 12 12 2 2 2 7 7 7 1 7 1 1 5 5 4 4 3 3 4 4 17 17 19 19 21 21 17 17 19 19 20 20 18 22 18 18 24 24 20 20 20 5 5 5 21 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 7 7 7 7 18 18 18 18 18 18 18 18 18 18 18 18 20 20 21 21 21 21 23 23 23 25 25 25 25 25 25 2 2 2 2 4 4 4 4 8 8 8 8 8 8 3 3 3 3 7 7 7 7 12 12 12 12 12 12 5 5 7 7 7 7 25 25 16 16 16 16 20 20 20 20 20 20 21 21 21 21 21 21 23 23 25 25 25 25 26 26 26 27 27 27 27 27 27 3 6 3 6 5 7 5 7 9 10 11 9 10 11 7 12 7 12 4 16 4 16 13 14 15 13 14 15 25 25 3 16 3 16 21 27 34 35 34 35 22 23 22 23 22 23 24 25 24 25 24 25 26 26 5 27 5 27 28 29 30 31 32 33 31 32 33 1.9472 -177.3053 -179.1476 1.5999 -161.0264 -3.8685 19.9337 177.0916 116.1594 -122.7414 -3.2339 -65.0742 56.025 175.5325 0.5913 179.4804 179.8448 -1.2661 -2.8796 176.2497 178.1016 -2.7692 -116.5705 3.8114 124.1908 62.1974 -177.4207 -57.0412 52.6514 -103.1862 4.2145 -174.9973 163.9822 -15.2296 9.3284 -109.9567 1.0153 -178.8496 -179.9835 0.1517 -34.8272 146.3076 82.5693 -96.2959 -157.5472 23.5876 131.4512 -48.2478 11.9178 -167.7812 -108.1409 72.1601 179.5863 0.7129 75.4091 -173.1292 -104.3001 7.1617 -179.7819 -60.0654 60.4388 -81.8947 37.8062 158.432 174.2592 -66.0399 54.5859 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 345 A 328 A 551 345 1260.9593533833 35 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. local minimum Step number 54 out of a maximum of 171 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00030 0.00125 0.00211 0.00309 0.00347 0.00564 0.00702 0.01079 0.01235 0.01435 0.01631 0.01716 0.01978 0.02111 0.02370 0.02498 0.02954 0.03326 0.03868 0.03899 0.04880 0.05347 0.05991 0.06389 0.06477 0.07285 0.07355 0.07439 0.07579 0.07751 0.08190 0.09572 0.10195 0.10477 0.10732 0.13992 0.15625 0.15776 0.15873 0.15961 0.15985 0.16007 0.16019 0.16027 0.16049 0.16060 0.16082 0.16090 0.16117 0.16196 0.16376 0.19311 0.22360 0.22938 0.23705 0.24029 0.24151 0.24290 0.24590 0.24947 0.25112 0.25429 0.25872 0.26799 0.27597 0.29147 0.31808 0.33334 0.33349 0.33410 0.33557 0.33740 0.33764 0.33834 0.33850 0.33883 0.33951 0.33984 0.34042 0.34211 0.34227 0.34396 0.35132 0.35540 0.36475 0.40033 0.41837 0.42737 0.43038 0.43501 0.45812 0.46569 0.48455 0.50446 0.56064 0.58825 1.04595 1.04781 1.18594 -3.97370280e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 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 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 2.61192 2.62448 2.81043 2.64480 2.05547 2.63560 2.80145 1.92692 2.63297 3.81098 2.67558 2.08554 2.08407 2.07397 2.08408 2.07428 2.08436 2.27482 2.27935 2.07893 2.07475 2.86896 2.85119 2.26817 2.51591 2.26451 2.54569 2.68700 2.68737 2.06912 2.07667 2.07610 2.07049 2.07629 2.07610 1.87699 2.30560 2.09983 1.89015 2.20291 2.19008 1.88393 2.28216 2.11641 2.08161 1.90020 1.97508 2.62300 1.86791 2.27618 2.13889 1.94434 1.94773 1.92549 1.86991 1.88503 1.88884 1.93239 1.91765 1.94895 1.88946 1.87940 1.89438 2.06056 2.05617 2.16643 1.88308 1.87134 1.95552 1.86851 1.89038 1.99048 2.15670 1.95616 2.17017 2.18380 1.95781 2.14157 2.03719 2.19261 2.06290 2.02680 1.85121 1.92843 1.92314 1.92878 1.92300 1.90884 1.85348 1.93340 1.92556 1.92798 1.92253 1.90082 0.05741 -3.07406 -3.12729 0.02442 -2.39964 -0.09716 0.77900 3.08148 2.21039 -1.98353 0.11695 -0.97881 1.11046 -3.07225 0.00328 3.10456 3.13484 -0.04706 -0.06230 3.10088 3.11501 -0.00499 -2.00989 0.07631 2.17928 1.08684 -3.11015 -1.00718 1.02631 -1.24302 0.09868 -3.06241 2.45647 -0.70463 0.01511 -3.07982 -0.01737 3.13211 -3.13447 0.01501 -1.03168 2.12797 0.98532 -2.13822 3.07597 -0.04757 2.50792 -0.63592 0.43290 -2.71093 -1.64539 1.49396 3.13242 0.00905 0.14163 -3.04577 -3.00214 0.09365 -3.10145 -1.01066 1.10071 -0.05428 2.03966 -2.13738 3.12955 -1.05969 1.04646 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 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00003 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00003 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 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -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 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00005 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00005 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 0.00003 -0.00001 -0.00000 -0.00002 -0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00006 -0.00004 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00003 0.00001 -0.00004 -0.00006 -0.00001 -0.00002 0.00005 0.00004 0.00018 0.00017 0.00017 0.00010 0.00009 0.00009 -0.00003 0.00004 -0.00000 0.00007 0.00001 -0.00002 -0.00005 -0.00009 -0.00011 -0.00010 -0.00011 -0.00003 -0.00002 -0.00003 -0.00028 -0.00027 0.00001 0.00004 -0.00001 0.00002 0.00046 0.00035 0.00006 0.00008 0.00002 0.00004 0.00000 0.00000 0.00004 0.00004 0.00000 0.00000 0.00005 0.00011 0.00004 0.00010 0.00007 0.00013 -0.00004 -0.00004 -0.00025 -0.00014 -0.00019 -0.00008 0.00043 0.00045 0.00043 0.00052 0.00053 0.00053 0.00042 0.00042 0.00043 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00040 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00002 0.00001 -0.00001 0.00003 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00007 0.00000 0.00000 -0.00060 0.00000 -0.00002 0.00002 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00002 -0.00000 0.00001 -0.00000 0.00002 -0.00001 0.00001 0.00001 -0.00005 0.00001 0.00000 0.00001 0.00003 -0.00001 -0.00002 -0.00002 0.00001 0.00001 -0.00000 0.00014 -0.00016 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00002 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00009 0.00002 -0.00007 -0.00008 -0.00001 -0.00010 -0.00003 -0.00013 -0.00012 -0.00011 -0.00010 -0.00009 -0.00009 0.00002 0.00011 0.00010 0.00019 -0.00002 -0.00007 -0.00011 -0.00015 -0.00007 -0.00007 -0.00006 0.00004 0.00003 0.00004 0.00008 0.00000 0.00002 0.00006 0.00012 0.00016 0.00009 0.00013 0.00008 0.00007 0.00003 0.00003 -0.00041 -0.00047 -0.00039 -0.00044 -0.00037 -0.00043 0.00025 0.00025 0.00025 0.00026 0.00023 0.00023 0.00002 -0.00004 -0.00010 -0.00015 -0.00010 -0.00015 0.00029 0.00030 0.00030 0.00006 0.00006 0.00006 0.00010 0.00010 0.00010 0.00002 0.00001 -0.00001 -0.00002 0.00000 0.00004 -0.00000 -0.00000 -0.00000 0.00045 -0.00002 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00003 0.00000 -0.00001 0.00005 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00002 -0.00001 0.00006 0.00000 -0.00000 -0.00065 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00000 0.00002 0.00000 -0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00002 -0.00002 0.00004 0.00004 -0.00006 0.00001 -0.00002 -0.00001 0.00005 -0.00002 -0.00002 -0.00003 0.00002 0.00000 -0.00001 0.00021 -0.00020 -0.00000 0.00001 0.00002 -0.00000 0.00001 -0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00008 -0.00002 -0.00013 -0.00008 -0.00003 -0.00005 0.00001 0.00005 0.00005 0.00006 0.00000 0.00000 0.00001 -0.00000 0.00016 0.00010 0.00026 -0.00001 -0.00009 -0.00016 -0.00024 -0.00017 -0.00017 -0.00017 0.00001 0.00001 0.00001 -0.00021 -0.00027 0.00003 0.00010 0.00011 0.00018 0.00055 0.00048 0.00014 0.00016 0.00005 0.00006 -0.00041 -0.00047 -0.00035 -0.00040 -0.00037 -0.00042 0.00029 0.00035 0.00030 0.00036 0.00030 0.00036 -0.00002 -0.00008 -0.00035 -0.00029 -0.00029 -0.00023 0.00072 0.00074 0.00074 0.00058 0.00059 0.00059 0.00052 0.00052 0.00053 2.61193 2.62448 2.81042 2.64478 2.05548 2.63563 2.80144 1.92692 2.63296 3.81143 2.67556 2.08554 2.08407 2.07397 2.08408 2.07428 2.08436 2.27482 2.27935 2.07895 2.07474 2.86893 2.85119 2.26816 2.51596 2.26451 2.54569 2.68699 2.68737 2.06913 2.07667 2.07611 2.07049 2.07629 2.07611 1.87698 2.30562 2.09983 1.89016 2.20290 2.19008 1.88392 2.28218 2.11641 2.08167 1.90020 1.97508 2.62235 1.86791 2.27616 2.13892 1.94433 1.94772 1.92550 1.86992 1.88503 1.88885 1.93241 1.91765 1.94894 1.88945 1.87939 1.89439 2.06056 2.05619 2.16641 1.88311 1.87138 1.95547 1.86852 1.89035 1.99047 2.15675 1.95614 2.17015 2.18378 1.95784 2.14157 2.03718 2.19282 2.06270 2.02680 1.85121 1.92844 1.92314 1.92879 1.92298 1.90883 1.85348 1.93340 1.92556 1.92799 1.92252 1.90082 0.05742 -3.07415 -3.12732 0.02430 -2.39972 -0.09718 0.77895 3.08149 2.21044 -1.98347 0.11701 -0.97881 1.11046 -3.07225 0.00328 3.10472 3.13494 -0.04680 -0.06231 3.10079 3.11485 -0.00523 -2.01006 0.07613 2.17911 1.08685 -3.11014 -1.00717 1.02611 -1.24329 0.09871 -3.06231 2.45658 -0.70445 0.01566 -3.07933 -0.01723 3.13227 -3.13442 0.01507 -1.03210 2.12750 0.98497 -2.13862 3.07560 -0.04799 2.50821 -0.63556 0.43320 -2.71058 -1.64509 1.49432 3.13240 0.00897 0.14128 -3.04606 -3.00243 0.09342 -3.10073 -1.00991 1.10144 -0.05370 2.04024 -2.13678 3.13007 -1.05917 1.04699 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000005 0.001683 0.000412 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.954201e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 1 1 1 2 2 3 3 4 4 5 7 8 8 8 12 12 12 16 16 17 18 18 18 20 20 21 21 23 25 26 26 26 27 27 27 2 4 8 3 6 7 12 5 7 25 16 9 10 11 13 14 15 34 35 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 1.3822 1.3888 1.4872 1.3996 1.0877 1.3947 1.4825 1.0197 1.3933 2.0167 1.4159 1.1036 1.1028 1.0975 1.1028 1.0977 1.103 1.2038 1.2062 1.1001 1.0979 1.5182 1.5088 1.2003 1.3314 1.1983 1.3471 1.4219 1.4221 1.0949 1.0989 1.0986 1.0957 1.0987 1.0986 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 4 1 1 3 2 2 7 1 1 5 4 3 3 4 1 1 1 9 9 10 3 3 3 13 13 14 7 7 34 17 17 17 19 19 20 18 18 22 18 18 24 20 5 5 21 23 23 23 28 28 29 25 25 25 31 31 32 1 1 1 2 2 2 3 3 3 4 4 4 5 7 7 7 8 8 8 8 8 8 12 12 12 12 12 12 16 16 16 18 18 18 18 18 18 20 20 20 21 21 21 23 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 4 8 8 3 6 6 7 12 12 5 7 7 25 4 16 16 9 10 11 10 11 11 13 14 15 14 15 15 34 35 35 19 20 21 20 21 21 22 23 23 24 25 25 26 21 27 27 28 29 30 29 30 30 31 32 33 32 33 33 107.5436 132.1013 120.3115 108.2976 126.2175 125.4822 107.9412 130.7579 121.2616 119.2674 108.8732 113.1637 150.2866 107.0232 130.4156 122.5496 111.4025 111.5966 110.3223 107.1381 108.0041 108.2228 110.718 109.8732 111.6667 108.258 107.6814 108.5401 118.0612 117.8101 124.127 107.8923 107.22 112.0432 107.0575 108.3106 114.046 123.5699 112.08 124.3414 125.1227 112.1744 122.7028 116.7227 125.6275 118.1955 116.1272 106.0663 110.4907 110.1879 110.5109 110.1797 109.3685 106.1964 110.7755 110.3263 110.4653 110.1527 108.9087 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 4 4 8 8 2 2 8 8 2 2 2 4 4 4 1 1 6 6 2 2 12 12 2 2 2 7 7 7 1 7 1 1 5 5 4 4 3 3 4 4 17 17 19 19 21 21 17 17 19 19 20 20 18 22 18 18 24 24 20 20 20 5 5 5 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 7 7 7 7 18 18 18 18 18 18 18 18 18 18 18 18 20 20 21 21 21 21 23 23 23 25 25 25 25 25 2 2 2 2 4 4 4 4 8 8 8 8 8 8 3 3 3 3 7 7 7 7 12 12 12 12 12 12 5 5 7 7 7 7 25 25 16 16 16 16 20 20 20 20 20 20 21 21 21 21 21 21 23 23 25 25 25 25 26 26 26 27 27 27 27 27 3 6 3 6 5 7 5 7 9 10 11 9 10 11 7 12 7 12 4 16 4 16 13 14 15 13 14 15 25 25 3 16 3 16 21 27 34 35 34 35 22 23 22 23 22 23 24 25 24 25 24 25 26 26 5 27 5 27 28 29 30 31 32 33 31 32 3.2891 -176.1308 -179.1806 1.3994 -137.4891 -5.5666 44.6333 176.5558 126.6461 -113.6476 6.7008 -56.0819 63.6244 -176.0272 0.188 177.8783 179.6133 -2.6964 -3.5695 177.6674 178.477 -0.2861 -115.1582 4.3722 124.8636 62.2711 -178.1986 -57.7071 58.8035 -71.2201 5.6541 -175.4631 140.7451 -40.3721 0.8659 -176.4605 -0.9951 179.4567 -179.592 0.8598 -59.111 121.9235 56.4545 -122.511 176.2401 -2.7255 143.6931 -36.4353 24.8033 -155.3251 -94.2741 85.5974 179.4746 0.5185 8.1148 -174.5096 -172.01 5.3655 -177.7001 -57.9063 63.0659 -3.1102 116.8637 -122.4627 179.3102 -60.716 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0249922484 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4552,1.1369,-.2452;3.3378,.2513,-.8353;3.1886,-.995,-.2131;1.8122,.4424,.7529;.9376,.6764,1.2092;4.0368,.4842,-1.635;2.199,-.879,.7564;2.1686,2.573,-.5081;1.1338,2.7247,-.8579;2.3189,3.1868,.396;2.8431,2.949,-1.2874;3.8718,-2.2884,-.4575;3.165,-3.0643,-.7994;4.6472,-2.1634,-1.2244;4.3465,-2.6751,.4601;1.6193,-1.8577,1.614;-.3818,-1.0845,-.0262;-1.1402,-.5775,-.6417;-.9112,-.749,-1.7018;-2.4746,-1.2258,-.3277;-1.1363,.9094,-.3949;-2.6235,-2.3874,-.0742;-3.4749,-.3411,-.3925;-1.1208,1.7618,-1.2393;-1.1463,1.1841,.9235;-4.7772,-.8394,-.125;-1.2962,2.5514,1.2829;-5.4577,.0128,-.2267;-5.0457,-1.6289,-.8412;-4.833,-1.2538,.8917;-1.3867,2.5711,2.3744;-.4239,3.1401,.9639;-2.1963,2.9749,.8166;2.0241,-2.9874,1.5442;.7472,-1.4826,2.3614; 0.000000 1.382530 0.000000 2.254675 1.400927 0.000000 1.375449 2.210493 2.212157 0.000000 2.151892 3.181508 3.143832 1.013916 0.000000 2.204268 1.087286 2.220079 3.263761 4.210868 0.000000 2.265539 2.260147 1.390279 1.376862 2.053145 3.309755 0.000000 1.487931 2.620055 3.722668 2.501330 2.839340 3.020533 3.676506 0.000000 2.154707 3.312971 4.298121 2.874677 2.916707 3.748467 4.089907 1.102781 0.000000 2.152201 3.342349 4.314460 2.813500 2.978529 3.792128 4.083535 1.102982 1.786115 0.000000 2.126223 2.779729 4.102289 3.392492 3.876806 2.760668 4.387084 1.097201 1.776694 1.779128 0.000000 3.712732 2.622645 1.483073 3.628255 4.491952 3.016777 2.501664 5.151471 5.726109 5.754839 5.401694 0.000000 4.296577 3.320315 2.150931 4.066517 4.794649 3.748267 2.851187 5.732136 6.135246 6.420363 6.041686 1.103855 0.000000 4.081079 2.774285 2.124935 4.328607 5.267651 2.747832 3.401046 5.393570 6.030879 6.055668 5.421769 1.097771 1.785866 0.000000 4.313437 3.355540 2.148691 4.028318 4.838872 3.803463 2.815279 5.764056 6.420025 6.203049 6.078290 1.103088 1.770280 1.786000 0.000000 3.622542 3.660672 2.558434 2.463585 2.655200 4.678072 1.424538 4.943331 5.229177 5.236420 5.746403 3.090370 3.109627 4.161539 3.072060 0.000000 3.609873 4.034218 3.576469 2.784310 2.523461 4.957078 2.704655 4.484909 4.183150 5.071104 5.316068 4.441692 4.134867 5.281179 5.012350 2.700457 0.000000 4.002926 4.558248 4.370030 3.420826 3.052084 5.377275 3.632599 4.570763 4.015252 5.216505 5.359165 5.299227 4.974334 6.029051 5.976489 3.787055 1.100473 0.000000 4.124443 4.450392 4.368706 3.855159 3.731476 5.099762 3.966487 4.684662 4.118327 5.506783 5.286044 5.176436 4.773907 5.755409 6.002295 4.315926 1.788986 1.098104 0.000000 5.467389 6.018678 5.669142 4.725228 4.198026 6.857937 4.810197 6.001920 5.376629 6.555326 6.828547 6.436097 5.950458 7.239078 7.017780 4.574865 2.119134 1.516416 2.135408 0.000000 3.601871 4.543725 4.729196 3.198387 2.632234 5.336646 3.955801 3.701742 2.943313 4.213124 4.559928 5.942374 5.869884 6.601514 6.606199 4.391588 2.163573 1.507254 2.123477 2.520850 0.000000 6.184075 6.563504 5.978215 5.326110 4.869796 7.418947 5.120650 6.910717 6.392548 7.464553 7.735210 6.507338 5.872866 7.364549 6.996363 4.596893 2.593236 2.407869 2.874975 1.198222 3.630903 0.000000 6.113338 6.852815 6.697993 5.466281 4.803254 7.658359 5.814005 6.352549 5.554830 6.829071 7.179417 7.600718 7.188173 8.365547 8.206692 5.681303 3.202230 2.359827 2.907461 1.336962 2.651959 2.239103 0.000000 3.763840 4.724828 5.217656 3.783155 3.377919 5.328143 4.688028 3.465902 2.481045 4.066424 4.138143 6.476232 6.469346 6.976902 7.243323 5.361916 3.181082 2.414525 2.561648 3.404396 1.199952 4.564177 3.268263 0.000000 3.786653 4.906172 4.983121 3.054831 2.163761 5.822318 3.933817 3.868681 3.278034 4.036880 4.890665 6.256707 6.293166 7.027330 6.728965 4.168633 2.575423 2.356417 3.268660 3.022793 1.346685 3.991590 3.079082 2.238759 0.000000 7.498519 8.218754 7.967836 6.770108 6.061052 9.039776 7.031723 7.748238 6.941161 8.175328 8.589119 8.775824 8.275436 9.580247 9.324913 6.706388 4.403307 3.682788 4.176155 2.343515 4.048090 2.652770 1.419761 4.623593 4.286885 0.000000 4.290559 5.590265 5.910001 3.793536 2.917311 6.420879 4.925529 3.900315 3.243137 3.776105 4.888629 7.291133 7.468185 7.989956 7.735205 5.296170 3.971093 3.676683 4.466460 4.271962 2.352979 5.291015 3.990068 2.648728 1.421683 5.059373 0.000000 7.992348 8.819768 8.704853 7.348179 6.587970 9.609876 7.770832 8.049444 7.155433 8.422390 8.868485 9.611860 9.173140 10.384610 10.189138 7.547838 5.196975 4.377308 4.840105 3.231522 4.416567 3.717082 2.020879 4.784694 4.613336 1.095293 5.103073 0.000000 8.016806 8.591857 8.282610 7.339169 6.731909 9.358808 7.456570 8.355466 7.559158 8.885903 9.131884 8.950134 8.335354 9.715272 9.539517 7.106514 4.765793 4.049488 4.313867 2.652699 4.682498 2.651585 2.080175 5.202037 5.121786 1.099212 6.003816 1.800675 0.000000 7.754034 8.485857 8.101466 6.859658 6.093050 9.384902 7.043201 8.100930 7.381816 8.432846 9.018563 8.869257 8.372880 9.755992 9.298891 6.520563 4.547959 4.055208 4.728770 2.655053 4.472086 2.664553 2.079992 5.235960 4.419912 1.099306 5.209688 1.801427 1.785721 0.000000 4.866155 6.164781 6.351827 4.170592 3.217126 7.060034 5.232432 4.576914 4.101705 4.245489 5.607400 7.699770 7.908784 8.471998 8.003596 5.406357 4.487361 4.367022 5.278694 4.785519 3.239231 5.666749 4.527442 3.712717 2.021595 5.419809 1.095365 5.466578 6.431852 5.357691 0.000000 3.710005 5.072741 5.615558 3.510325 2.825558 5.805656 4.803734 3.034628 2.432697 2.801298 3.972200 7.066990 7.381333 7.657136 7.538410 5.438320 4.339336 4.112394 4.740158 4.993516 2.707412 6.039006 4.823719 2.690673 2.085595 5.997856 1.099696 6.044603 6.882162 6.225083 1.800021 0.000000 5.112974 6.385404 6.768881 4.741944 3.906225 7.145996 5.845918 4.579118 3.735806 4.539677 5.461100 8.133134 8.235703 8.797810 8.652081 6.208744 4.525658 3.982613 4.675612 4.362633 2.618660 5.452532 3.754048 2.618234 2.078709 4.700711 1.098657 4.527588 5.662385 4.983874 1.801401 1.786229 0.000000 4.516292 4.228101 2.900661 3.526239 3.836111 5.119480 2.257484 5.928814 6.260203 6.286942 6.627964 2.812288 2.607678 3.901868 2.581904 1.202048 3.446075 4.538549 4.915570 5.181274 5.378981 4.957733 6.402582 6.339779 5.276133 7.325122 6.462992 8.253111 7.584064 7.102859 6.574189 6.623859 7.340975 0.000000 4.071006 4.465038 3.581390 2.725286 2.454561 5.537155 2.246730 5.167432 5.311740 5.304368 6.111171 4.284656 4.282305 5.341467 4.241693 1.208204 2.670923 3.660591 4.449514 4.204427 4.106900 4.255838 5.168527 5.194292 3.572690 6.092194 4.648823 6.887297 6.620880 5.775007 4.581122 4.969305 5.560575 2.136032 0.000000 C10H18BN2O4(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 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4552,1.1369,-.2452;3.3378,.2513,-.8353;3.1886,-.995,-.2131;1.8122,.4424,.7529;.9376,.6764,1.2092;4.0368,.4842,-1.635;2.199,-.879,.7564;2.1686,2.573,-.5081;1.1338,2.7247,-.8579;2.3189,3.1868,.396;2.8431,2.949,-1.2874;3.8718,-2.2884,-.4575;3.165,-3.0643,-.7994;4.6472,-2.1634,-1.2244;4.3465,-2.6751,.4601;1.6193,-1.8577,1.614;-.3818,-1.0845,-.0262;-1.1402,-.5775,-.6417;-.9112,-.749,-1.7018;-2.4746,-1.2258,-.3277;-1.1363,.9094,-.3949;-2.6235,-2.3874,-.0742;-3.4749,-.3411,-.3925;-1.1208,1.7618,-1.2393;-1.1463,1.1841,.9235;-4.7772,-.8394,-.125;-1.2962,2.5514,1.2829;-5.4577,.0128,-.2267;-5.0457,-1.6289,-.8412;-4.833,-1.2538,.8917;-1.3867,2.5711,2.3744;-.4239,3.1401,.9639;-2.1963,2.9749,.8166;2.0241,-2.9874,1.5442;.7472,-1.4826,2.3614; 0.6700957 0.2835527 0.2274516 -19.32423 -19.31537 -19.26223 -19.25236 -14.51166 -14.50581 -10.44639 -10.44023 -10.37101 -10.36286 -10.33881 -10.32860 -10.32644 -10.31083 -10.29874 -10.29344 -6.82919 -1.22474 -1.21468 -1.14731 -1.12843 -1.12123 -0.94229 -0.90550 -0.90089 -0.83947 -0.81572 -0.80805 -0.80586 -0.70110 -0.68431 -0.67589 -0.66896 -0.66021 -0.63467 -0.61149 -0.59986 -0.58150 -0.57618 -0.56872 -0.56310 -0.55554 -0.52917 -0.52749 -0.51926 -0.51712 -0.51477 -0.51074 -0.49595 -0.48566 -0.48068 -0.47906 -0.46939 -0.46475 -0.46162 -0.45325 -0.44476 -0.41067 -0.39928 -0.39818 -0.39004 -0.36842 -0.36348 -0.34802 -0.18348 0.06325 0.07519 0.08513 0.12387 0.13036 0.15041 0.15483 0.16672 0.16731 0.17066 0.18995 0.19027 0.19425 0.20097 0.20592 0.21188 0.21692 0.22429 0.22643 0.22814 0.23094 0.23841 0.24203 0.26342 0.27804 0.29272 0.30085 0.30459 0.31920 0.32271 0.33395 0.34665 0.36194 0.37907 0.40180 0.40430 0.42272 0.43582 0.45595 0.47623 0.48103 0.49657 0.50078 0.51059 0.51866 0.51963 0.52724 0.53587 0.54512 0.55139 0.55705 0.56041 0.57250 0.57688 0.58752 0.59840 0.62574 0.64552 0.65309 0.65783 0.66840 0.67683 0.70171 0.70924 0.71345 0.71609 0.71951 0.72521 0.72789 0.73037 0.73204 0.73888 0.74389 0.74494 0.74785 0.75328 0.76247 0.76618 0.77341 0.77808 0.78493 0.79110 0.79876 0.80150 0.81412 0.82202 0.84388 0.84556 0.85344 0.86643 0.86782 0.89179 0.90801 0.91700 0.93726 0.94569 0.98777 0.99915 1.00682 1.01432 1.02194 1.04519 1.06098 1.07422 1.10839 1.11771 1.13184 1.15717 1.16369 1.17886 1.18546 1.19640 1.20683 1.22975 1.24325 1.25455 1.25526 1.27897 1.28535 1.29715 1.32878 1.34678 1.35320 1.37009 1.40471 1.44227 1.44793 1.45346 1.47784 1.49261 1.51110 1.54320 1.54911 1.56109 1.57851 1.58512 1.58688 1.60218 1.61434 1.62027 1.62371 1.62489 1.64057 1.66553 1.67175 1.68137 1.69508 1.73098 1.76075 1.76666 1.78688 1.79372 1.80252 1.81116 1.82019 1.82760 1.84175 1.84973 1.85467 1.85889 1.86617 1.87192 1.88125 1.88816 1.89128 1.89659 1.90005 1.90737 1.91864 1.93817 1.94487 1.97395 1.98040 1.98299 1.98653 1.99388 2.00244 2.01407 2.02776 2.05339 2.06147 2.08309 2.09560 2.12026 2.12761 2.15319 2.16510 2.17587 2.18728 2.21825 2.22762 2.23503 2.23751 2.26132 2.28900 2.31533 2.32326 2.33135 2.34843 2.36992 2.38507 2.38853 2.39551 2.40196 2.40773 2.46392 2.47535 2.51024 2.54055 2.54675 2.56272 2.58312 2.58793 2.59837 2.61570 2.63909 2.70145 2.71384 2.71792 2.73131 2.73706 2.74036 2.74309 2.75874 2.76175 2.78552 2.81511 2.81559 2.84296 2.86653 2.87971 2.88027 2.88701 2.90741 2.94029 2.95924 2.97759 2.99474 3.00304 3.02587 3.03175 3.04109 3.05136 3.05974 3.06973 3.10805 3.13460 3.14253 3.17564 3.23002 3.24937 3.27018 3.30492 3.33378 3.44105 3.51582 3.51668 3.53114 3.62453 3.69567 3.71582 3.74634 3.77065 -19.32422 -19.31537 -19.26219 -19.25235 -14.51374 -14.50359 -10.44640 -10.44023 -10.37101 -10.36286 -10.33468 -10.32849 -10.32092 -10.31119 -10.29920 -10.29526 -6.82626 -1.22472 -1.21467 -1.14458 -1.12836 -1.12122 -0.93643 -0.90509 -0.89492 -0.83946 -0.81368 -0.80612 -0.80551 -0.70003 -0.68426 -0.66881 -0.66515 -0.65716 -0.63452 -0.61104 -0.59964 -0.58116 -0.57601 -0.56233 -0.55964 -0.54976 -0.52827 -0.52395 -0.51898 -0.51519 -0.51343 -0.50520 -0.49375 -0.48351 -0.47949 -0.47728 -0.46651 -0.46310 -0.46140 -0.45323 -0.44223 -0.41044 -0.39924 -0.39508 -0.38985 -0.36341 -0.35050 -0.32938 0.03069 0.06425 0.07878 0.10806 0.12426 0.14898 0.15217 0.15491 0.16694 0.16783 0.17103 0.19026 0.19077 0.19444 0.20128 0.20600 0.21219 0.21750 0.22562 0.22714 0.22904 0.23274 0.23953 0.24394 0.26487 0.28259 0.29512 0.30480 0.30852 0.32053 0.32612 0.33481 0.35031 0.36472 0.37950 0.40546 0.40956 0.42358 0.43707 0.45709 0.47879 0.48358 0.49750 0.50304 0.51740 0.51914 0.52172 0.52920 0.53892 0.54897 0.55539 0.56043 0.56432 0.57510 0.57878 0.58831 0.60405 0.63048 0.64660 0.65263 0.65977 0.66829 0.67773 0.70391 0.71223 0.71421 0.71847 0.71981 0.72749 0.73025 0.73151 0.73222 0.73930 0.74460 0.74684 0.74885 0.75448 0.76319 0.76732 0.77471 0.78037 0.78586 0.79175 0.79974 0.80490 0.81697 0.82446 0.84535 0.84673 0.85555 0.86820 0.87020 0.89540 0.91068 0.91802 0.93896 0.94635 0.99028 1.00044 1.00927 1.01868 1.02339 1.04775 1.06351 1.07766 1.10983 1.11812 1.13333 1.16238 1.16496 1.18064 1.19014 1.19950 1.20967 1.23101 1.24422 1.25772 1.25932 1.28138 1.29070 1.30122 1.33072 1.34718 1.35385 1.37164 1.40575 1.44498 1.44962 1.45564 1.47863 1.50305 1.51125 1.54559 1.55637 1.56546 1.57968 1.58533 1.58697 1.60312 1.61880 1.62198 1.62512 1.63137 1.64482 1.66622 1.67274 1.68148 1.70005 1.73175 1.76303 1.77036 1.78696 1.79427 1.80514 1.81202 1.82208 1.83062 1.84298 1.85195 1.85562 1.86209 1.86902 1.87462 1.88268 1.88996 1.89307 1.90007 1.90375 1.90954 1.91887 1.93835 1.94608 1.97786 1.98097 1.98587 1.99266 1.99521 2.00743 2.01705 2.02856 2.05349 2.06268 2.08391 2.09760 2.12215 2.12809 2.15338 2.16829 2.17958 2.19129 2.22241 2.23054 2.23567 2.23852 2.26482 2.29329 2.31600 2.32648 2.33260 2.35136 2.37584 2.38632 2.38894 2.39606 2.40266 2.40968 2.46398 2.47537 2.51243 2.54104 2.54960 2.56445 2.58644 2.58803 2.59853 2.61869 2.64208 2.70471 2.71390 2.71875 2.73294 2.73710 2.74232 2.74723 2.75972 2.76511 2.78560 2.81647 2.81803 2.84493 2.86991 2.87985 2.88047 2.88729 2.90752 2.94152 2.95934 2.97774 2.99506 3.00440 3.02732 3.03218 3.04293 3.05308 3.05978 3.06985 3.10822 3.13466 3.14395 3.17762 3.23349 3.24946 3.27024 3.30498 3.33381 3.44238 3.51591 3.51669 3.53344 3.62669 3.69571 3.71583 3.74637 3.77067 2-A. -1.2207 3.6121 -0.3156 3.8259 -86.4585 -106.2193 -104.4249 -1.1914 -7.4096 10.8766 12.5757 -7.1851 -5.3907 -1.1914 -7.4096 10.8766 -115.3350 61.7350 -12.3818 4.6845 1.3391 -20.7638 -18.3501 10.6538 1.3520 -7.7070 -3775.7726 -1759.4584 -559.6700 37.0456 -79.2830 -24.7114 78.0660 -33.3653 57.9236 -997.5628 -793.0400 -382.9368 22.7000 -37.5732 33.0341 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4685,.9054,-.1418;2.805,-.3008,-.7268;2.1385,-1.3228,-.0411;1.656,.6289,.9501;.8326,1.2065,1.1177;3.4792,-.4408,-1.5689;1.3814,-.7369,.9731;2.8558,2.3071,-.4534;1.9687,2.9515,-.5792;3.4662,2.7482,.3523;3.4368,2.3442,-1.3837;2.1098,-2.7864,-.275;1.0957,-3.1169,-.5554;2.7947,-3.0472,-1.0922;2.4083,-3.3487,.6257;.4992,-1.3208,1.9141;.2669,.651,-1.3147;-.8248,.6009,-1.441;-1.0471,.7296,-2.5085;-1.257,-.8044,-1.0624;-1.5341,1.6898,-.6745;-.8521,-1.7932,-1.6091;-2.1487,-.8044,-.0738;-2.5161,2.2672,-1.0464;-.9375,1.9532,.5043;-2.6307,-2.0724,.3525;-1.605,2.8809,1.3505;-3.3736,-1.8683,1.1305;-3.0909,-2.6112,-.4875;-1.8071,-2.6727,.763;-.9936,2.9632,2.256;-1.6979,3.8593,.8595;-2.6087,2.5127,1.6037;.3262,-2.5111,1.8654;-.0384,-.5908,2.7098; 0.000000 1.382167 0.000000 2.254734 1.399570 0.000000 1.388812 2.235267 2.241494 0.000000 2.086437 3.092654 3.073351 1.019682 0.000000 2.206823 1.087710 2.215667 3.288314 4.115248 0.000000 2.263180 2.259769 1.394698 1.393307 2.024542 3.309058 0.000000 1.487214 2.622688 3.722959 2.495093 2.787984 3.030464 3.670768 0.000000 2.151204 3.361344 4.311358 2.798404 2.686139 3.842953 4.044605 1.103620 0.000000 2.153012 3.301221 4.300069 2.850584 3.146251 3.722967 4.108293 1.102845 1.775263 0.000000 2.133084 2.797623 4.115184 3.400003 3.785922 2.791438 4.390029 1.097497 1.780791 1.782629 0.000000 3.711577 2.620235 1.482463 3.656622 4.417461 3.008513 2.507751 5.150924 5.747685 5.732826 5.414160 0.000000 4.270185 3.298707 2.137931 4.075681 4.643265 3.724181 2.842925 5.703319 6.130895 6.390825 5.999173 1.102850 0.000000 4.078322 2.770622 2.123415 4.356717 5.179502 2.736644 3.405925 5.392625 6.076994 6.010339 5.437327 1.097663 1.783162 0.000000 4.323168 3.358011 2.149817 4.061026 4.845012 3.797225 2.827815 5.775152 6.429399 6.194024 6.124089 1.102996 1.780955 1.786450 0.000000 3.613972 3.651234 2.551535 2.463479 2.670673 4.667500 1.415858 4.931515 5.160280 5.272498 5.739079 3.087766 3.111330 4.157832 3.068666 0.000000 2.507514 2.773746 3.003448 2.656931 2.558314 3.402241 2.898641 3.191694 2.954555 4.172868 3.594415 4.036454 3.931954 4.485112 4.934383 3.790390 0.000000 3.553425 3.807732 3.800187 3.445670 3.108169 4.430066 3.533369 4.175334 3.751251 5.122498 4.604722 4.630893 4.277180 5.150851 5.506659 4.086912 1.100125 0.000000 4.241658 4.367475 4.521947 4.390722 4.112126 4.768599 4.491000 4.684485 4.213541 5.712155 4.896628 5.226518 4.816760 5.570432 6.196375 5.114138 1.777032 1.097909 0.000000 4.201268 4.106878 3.583496 3.819712 3.628074 4.777036 3.333000 5.193016 4.974481 6.077122 5.661133 3.985466 3.337653 4.631180 4.770511 3.494414 2.122276 1.518186 2.118527 0.000000 4.113438 4.774248 4.792174 3.733866 3.007792 5.520169 4.135605 4.438632 3.724389 5.213282 5.063722 5.785664 5.480320 6.430586 6.528323 4.460803 2.175454 1.508783 2.126657 2.539297 0.000000 4.523570 4.047324 3.409411 4.325177 4.390014 4.537735 3.573837 5.647771 5.615198 6.566605 5.963553 3.396986 2.580015 3.890951 4.247895 3.803009 2.704295 2.400155 2.685401 1.200266 3.670137 0.000000 4.924112 5.021887 4.318545 4.192664 3.788320 5.834398 3.682616 5.905126 5.596032 6.658094 6.544254 4.701422 4.013138 5.523081 5.265768 3.351077 3.081104 2.365799 3.081326 1.331364 2.638101 2.239663 0.000000 5.245898 5.917025 5.963543 4.906783 4.125778 6.599189 5.319106 5.404687 4.560737 6.162485 5.962941 6.894394 6.501850 7.513305 7.653969 5.543479 3.229416 2.406827 2.580681 3.319632 1.198326 4.424055 3.242799 0.000000 3.621619 4.538964 4.526700 2.945974 2.016685 5.434648 3.582352 3.928257 3.258313 4.477502 4.780321 5.688287 5.564342 6.440618 6.270425 3.843250 2.540592 2.371797 3.253540 3.187561 1.347123 4.302217 3.066829 2.234966 0.000000 5.925691 5.818113 4.843780 5.101971 4.830235 6.609388 4.273800 7.066191 6.874770 7.772461 7.702924 4.834842 3.975041 5.698436 5.205251 3.577728 4.311893 3.691127 4.306281 2.344536 4.051067 2.662526 1.421900 4.560919 4.369825 0.000000 4.766852 5.821194 5.798361 3.983192 2.966388 6.738279 4.706246 4.845781 4.062044 5.170235 5.760498 6.968477 6.848279 7.775986 7.445695 4.732757 3.947081 3.687780 4.453200 4.418636 2.350394 5.583315 3.988185 2.636648 1.422096 5.155899 0.000000 6.591102 6.639421 5.661597 5.618327 5.210239 7.502302 4.890248 7.664714 7.395539 8.288625 8.393306 5.734624 4.937166 6.661684 5.989681 3.989070 5.057556 4.382451 5.040203 3.228107 4.393331 3.724086 2.020498 4.751432 4.574983 1.094933 5.072580 0.000000 6.587360 6.336960 5.404256 5.924363 5.704845 7.003260 5.064331 7.717123 7.520099 8.510270 8.244375 5.207974 4.217542 5.932626 5.658975 4.507998 4.754049 4.044988 4.407088 2.637858 4.577872 2.634216 2.079281 4.943822 5.143376 1.098928 5.979071 1.802700 0.000000 5.648232 5.396037 4.247002 4.788397 4.705510 6.193846 3.736036 6.929674 6.905776 7.573846 7.568078 4.053742 3.218990 4.975837 4.271496 2.910699 4.434513 4.066763 4.780708 2.669293 4.601243 2.704120 2.075322 5.308307 4.713961 1.098625 5.588167 1.798829 1.793156 0.000000 4.687256 5.829273 5.784175 3.764971 2.777917 6.798694 4.580070 4.752788 4.100495 4.853936 5.767071 7.006785 7.016875 7.854083 7.353238 4.549488 4.436771 4.390574 5.262329 5.027527 3.240613 6.130497 4.577897 3.702465 2.022878 5.626821 1.095654 5.502247 6.557418 5.886759 0.000000 5.204600 6.332442 6.510295 4.657592 3.675315 7.154734 5.533570 4.986934 4.042091 5.306667 5.804566 7.742858 7.646822 8.467195 8.298857 5.724809 4.345228 4.083170 4.643491 5.063437 2.662127 6.225830 4.777547 2.614707 2.082791 6.026028 1.098728 5.973882 6.754473 6.533622 1.802629 0.000000 5.604302 6.531101 6.320799 4.707836 3.712788 7.473281 5.184418 5.842428 5.090188 6.206929 6.745393 7.339921 7.076486 8.208370 7.777037 4.944828 4.500198 4.013437 4.746362 4.465248 2.649890 5.652349 3.745555 2.663014 2.077199 4.752894 1.098627 4.472453 5.555253 5.313921 1.799127 1.787883 0.000000 4.504508 4.212990 2.886415 3.530649 3.825660 5.101113 2.248840 5.915246 6.205934 6.309465 6.618613 2.799711 2.611419 3.889493 2.563848 1.203782 4.484992 4.684183 5.614144 3.740542 5.249656 3.738503 3.577440 6.276051 4.835185 3.350325 5.750424 3.826470 4.150045 2.406821 5.644644 6.759524 5.824155 0.000000 4.080995 4.469774 3.583575 2.730404 2.554127 5.540941 2.247893 5.174881 5.233906 5.384163 6.119440 4.282989 4.281163 5.339919 4.234956 1.206179 4.222716 4.389482 5.476382 3.969888 4.346417 4.556410 3.499565 5.330640 3.484897 3.804215 4.044038 3.905101 4.860283 3.354495 3.708015 5.097214 4.178751 2.129123 0.000000 C10H18BN2O4(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 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:1.8791,1.7337,-.2085;2.6761,.7356,-.7366;2.4991,-.4207,.0318;1.2665,1.2228,.9284;.2802,1.4209,1.095;3.3375,.8281,-1.5952;1.5802,-.1302,1.0399;1.6496,3.146,-.6144;.5742,3.3587,-.7419;2.0334,3.8527,.1402;2.152,3.3551,-1.5675;3.0741,-1.779,-.117;2.2833,-2.5153,-.3382;3.7955,-1.7903,-.9443;3.589,-2.1062,.8019;1.0292,-.9595,2.0465;-.0356,.5178,-1.2777;-1.0108,.015,-1.3581;-1.2795,-.032,-2.4216;-.82,-1.4143,-.8834;-2.0968,.7656,-.6276;-.0499,-2.1842,-1.3883;-1.62,-1.7135,.1379;-3.234,.8617,-.9929;-1.6476,1.3305,.5099;-1.5306,-3.0353,.6543;-2.628,1.9572,1.3275;-2.2819,-3.1021,1.4479;-1.7377,-3.7715,-.135;-.5278,-3.2146,1.0656;-2.094,2.345,2.2022;-3.1224,2.7752,.7856;-3.3872,1.2274,1.6404;1.3622,-2.116,2.0725;.2481,-.4626,2.8198; 0.5432739 0.4265781 0.3082278 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= 345 344 344 344 345 MxSgAt= 35 MxSgA2= 35. 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= 345 345 345 345 345 MxSgAt= 35 MxSgA2= 35. 1 0.7767 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 C C C N H H N C H H H C H H H B H C H C C O O O O C C H H H H H H H H 13 13 13 14 1 1 14 13 1 1 1 13 1 1 1 11 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 1 1 0.05788 -0.04520 0.08410 0.03860 -0.00102 0.00150 -0.07263 -0.01556 0.00726 0.00662 0.00025 -0.02053 0.00812 0.00032 0.00724 0.05097 -0.00043 0.00438 -0.00008 -0.00040 -0.00020 0.00011 0.00054 0.00105 0.00006 0.00003 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00582 -0.00575 65.06388 -50.81893 94.53975 12.47193 -4.54576 6.68903 -23.46689 -17.49200 32.46679 29.57838 1.10354 -23.08485 36.31732 1.41801 32.34569 73.11482 -1.91377 4.92379 -0.36546 -0.44926 -0.22175 -0.06489 -0.32627 -0.63646 -0.03830 0.03118 -0.00113 -0.00211 0.00264 0.01033 0.01236 0.05496 0.04644 -26.01712 -25.69050 23.21641 -18.13346 33.73413 4.45030 -1.62204 2.38681 -8.37357 -6.24158 11.58496 10.55430 0.39377 -8.23725 12.95892 0.50598 11.54175 26.08919 -0.68288 1.75693 -0.13041 -0.16031 -0.07913 -0.02315 -0.11642 -0.22711 -0.01367 0.01113 -0.00040 -0.00075 0.00094 0.00369 0.00441 0.01961 0.01657 -9.28355 -9.16701 21.70297 -16.95137 31.53506 4.16019 -1.51630 2.23122 -7.82771 -5.83470 10.82975 9.86628 0.36810 -7.70028 12.11415 0.47300 10.78936 24.38848 -0.63837 1.64240 -0.12190 -0.14986 -0.07397 -0.02165 -0.10883 -0.21230 -0.01278 0.01040 -0.00038 -0.00070 0.00088 0.00345 0.00412 0.01833 0.01549 -8.67838 -8.56943 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 0.082091 -0.028531 0.107152 0.017668 0.008863 -0.002045 -0.040682 -0.001561 -0.000886 -0.003442 -0.003551 -0.000461 -0.003255 0.001994 0.001109 0.042207 0.004859 0.004059 0.001043 0.001903 0.001986 0.001599 0.001102 0.004463 0.003623 0.000793 0.000882 0.000561 0.000606 0.000768 0.000437 0.000525 0.000683 -0.006829 0.010457 -0.149882 0.053584 -0.200809 -0.105687 -0.007965 0.004957 0.074557 0.004770 0.003644 0.006726 0.004787 0.002618 0.005260 -0.001002 0.002841 -0.097214 -0.002773 -0.001699 -0.001575 -0.001045 -0.000344 -0.000576 -0.000807 -0.000512 -0.001073 -0.000388 0.000065 -0.000269 -0.000310 -0.000375 0.000043 0.000553 0.000000 0.015870 -0.016690 0.067791 -0.025054 0.093657 0.088019 -0.000898 -0.002911 -0.033875 -0.003209 -0.002757 -0.003284 -0.001236 -0.002157 -0.002005 -0.000992 -0.003950 0.055007 -0.002086 -0.002359 0.000533 -0.000858 -0.001641 -0.001023 -0.000296 -0.003951 -0.002550 -0.000404 -0.000948 -0.000292 -0.000297 -0.000393 -0.000480 -0.001077 -0.000684 -0.009042 0.006233 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 0.099842 -0.035136 0.125228 0.070514 -0.005675 -0.003437 -0.031922 -0.001809 -0.004117 -0.000960 0.001644 -0.003645 -0.002371 -0.004612 -0.005636 0.043670 -0.003228 -0.004663 0.000013 0.000043 -0.000577 0.000460 -0.000254 0.004405 -0.001598 0.000009 -0.001291 -0.000092 0.000096 0.000034 -0.000995 -0.001756 -0.000898 -0.007428 -0.004072 0.269731 -0.086490 0.351835 0.191938 -0.010767 -0.002267 -0.116837 0.000865 0.001586 -0.000226 -0.000051 -0.002406 -0.002148 -0.003777 -0.000767 0.156730 0.006349 0.005635 0.002107 0.000885 0.000811 0.000616 -0.000015 0.003504 -0.000509 0.000108 -0.000645 0.000091 0.000206 -0.000030 -0.000752 -0.000749 -0.000202 0.009364 -0.008404 0.095795 -0.032438 0.125848 0.085115 0.005279 -0.000431 -0.034404 -0.001773 -0.002351 0.001287 -0.004465 0.001436 0.003638 0.003760 -0.000963 0.047412 -0.003691 -0.003732 -0.000212 -0.000120 -0.000693 0.000259 0.000147 0.000824 0.000075 -0.000029 0.000230 -0.000024 0.000006 -0.000022 0.000473 0.000437 0.000060 0.002418 0.008468 0.7129 -0.106 -0.6932 -0.1034 0.9618 -0.2534 0.6936 0.2523 0.6748 -0.195 -0.1858 0.3808 -26.166 -24.939 51.105 -9.337 -8.899 18.236 -8.728 -8.319 17.047 1 C 13 0.6915 0.2572 0.675 -0.6487 -0.1898 0.737 -0.3177 0.9475 -0.0356 -0.126 0.0594 0.0666 -16.911 7.976 8.935 -6.034 2.846 3.188 -5.641 2.661 2.98 2 C 13 -0.6095 -0.3059 0.7314 -0.388 0.9196 0.0613 0.6913 0.2464 0.6792 -0.2522 -0.2453 0.4974 -33.841 -32.911 66.752 -12.075 -11.743 23.819 -11.288 -10.978 22.266 3 C 13 0.7557 0.0605 -0.6521 -0.2244 0.9593 -0.1712 0.6152 0.2757 0.7386 -0.1423 -0.1374 0.2797 -5.489 -5.298 10.787 -1.958 -1.89 3.849 -1.831 -1.767 3.598 4 N 14 -0.0083 0.8783 -0.478 0.6023 0.386 0.6987 0.7982 -0.2821 -0.5322 -0.0108 -0.0073 0.018 -5.754 -3.876 9.63 -2.053 -1.383 3.436 -1.919 -1.293 3.212 5 H 1 0.7005 0.2585 0.6652 -0.5983 -0.2953 0.7449 -0.389 0.9198 0.0522 -0.0055 -9.0E-4 0.0064 -2.917 -0.491 3.407 -1.041 -0.175 1.216 -0.973 -0.164 1.137 6 H 1 0.7025 0.1933 0.685 0.6929 -0.4054 -0.5962 0.1625 0.8935 -0.4187 -0.1634 0.0785 0.0849 -6.302 3.028 3.273 -2.249 1.081 1.168 -2.102 1.01 1.092 7 N 14 -0.2628 0.1433 0.9541 0.9289 0.305 0.2101 -0.2609 0.9415 -0.2133 -0.0037 -0.002 0.0057 -0.498 -0.263 0.761 -0.178 -0.094 0.272 -0.166 -0.088 0.254 8 C 13 -0.4959 0.0 0.8684 0.7153 0.567 0.4084 -0.4924 0.8237 -0.2812 -0.0037 -0.0032 0.0069 -1.954 -1.731 3.686 -0.697 -0.618 1.315 -0.652 -0.577 1.229 9 H 1 0.8307 0.0079 0.5567 -0.5488 -0.1567 0.8211 -0.0937 0.9876 0.1258 -0.0036 -0.0034 0.007 -1.922 -1.802 3.725 -0.686 -0.643 1.329 -0.641 -0.601 1.242 10 H 1 0.7346 -0.3982 -0.5493 0.665 0.262 0.6994 0.1346 0.8791 -0.4573 -0.0044 -0.003 0.0074 -2.35 -1.578 3.928 -0.839 -0.563 1.402 -0.784 -0.526 1.31 11 H 1 0.6867 0.2255 0.6911 -0.4624 -0.5982 0.6545 -0.561 0.769 0.3065 -0.0041 -0.0018 0.0058 -0.547 -0.237 0.785 -0.195 -0.085 0.28 -0.183 -0.079 0.262 12 C 13 0.7701 -0.0482 0.6361 -0.5782 -0.4739 0.6641 -0.2694 0.8793 0.3928 -0.0049 -0.0027 0.0076 -2.604 -1.457 4.061 -0.929 -0.52 1.449 -0.869 -0.486 1.355 13 H 1 0.244 0.8064 -0.5387 0.6871 0.2483 0.6828 0.6844 -0.5367 -0.4935 -0.0049 -0.0034 0.0083 -2.619 -1.828 4.447 -0.935 -0.652 1.587 -0.874 -0.61 1.484 14 H 1 0.5022 0.4486 0.7393 -0.571 -0.4701 0.6731 -0.6495 0.7601 -0.0201 -0.0051 -0.0026 0.0077 -2.697 -1.402 4.099 -0.962 -0.5 1.463 -0.9 -0.467 1.367 15 H 1 0.186 0.8843 -0.4282 0.7112 -0.4219 -0.5623 0.678 0.1999 0.7074 -0.111 -0.1076 0.2186 -19.002 -18.428 37.431 -6.781 -6.576 13.356 -6.339 -6.147 12.485 16 B 11 -0.3018 0.5047 0.8088 0.53 0.794 -0.2977 0.7925 -0.3388 0.5071 -0.0068 -0.0035 0.0103 -3.605 -1.891 5.496 -1.286 -0.675 1.961 -1.203 -0.631 1.833 17 H 1 -0.2747 0.4375 0.8562 0.5865 0.7819 -0.2113 0.7619 -0.4441 0.4714 -0.0061 -0.0042 0.0103 -0.815 -0.562 1.377 -0.291 -0.201 0.491 -0.272 -0.187 0.459 18 C 13 -0.2805 0.8918 0.355 -0.6024 -0.4515 0.6582 0.7473 -0.0292 0.6638 -0.0017 -0.0013 0.0029 -0.888 -0.667 1.555 -0.317 -0.238 0.555 -0.296 -0.222 0.519 19 H 1 -0.2258 0.6023 0.7656 0.1675 0.7982 -0.5786 0.9597 0.0024 0.2811 -0.0012 -9.0E-4 0.0022 -0.163 -0.127 0.29 -0.058 -0.045 0.104 -0.054 -0.042 0.097 20 C 13 -0.14 0.3377 0.9308 0.3224 0.9044 -0.2796 0.9362 -0.261 0.2355 -0.002 -3.0E-4 0.0024 -0.27 -0.045 0.315 -0.096 -0.016 0.113 -0.09 -0.015 0.105 21 C 13 -0.1639 -0.272 0.9482 -0.2554 0.9402 0.2256 0.9528 0.2052 0.2236 -0.0012 -6.0E-4 0.0018 0.087 0.046 -0.133 0.031 0.016 -0.048 0.029 0.015 -0.044 22 O 17 0.1219 0.9627 -0.2415 0.0545 0.2364 0.9701 0.991 -0.1314 -0.0237 -9.0E-4 -3.0E-4 0.0011 0.063 0.019 -0.082 0.023 0.007 -0.029 0.021 0.006 -0.027 23 O 17 -0.4145 0.2255 0.8817 -0.344 0.8582 -0.3811 0.8425 0.4612 0.2782 -0.0054 -0.0026 0.008 0.39 0.191 -0.581 0.139 0.068 -0.207 0.13 0.064 -0.194 24 O 17 0.0942 0.0501 0.9943 0.2871 0.9549 -0.0753 0.9532 -0.2926 -0.0756 -0.0026 -0.0016 0.0042 0.188 0.113 -0.301 0.067 0.04 -0.107 0.063 0.038 -0.1 25 O 17 -0.0772 0.5506 0.8312 0.0447 0.8348 -0.5488 0.996 0.0052 0.0891 -4.0E-4 -4.0E-4 8.0E-4 -0.058 -0.049 0.108 -0.021 -0.018 0.038 -0.019 -0.017 0.036 26 C 13 0.4458 0.3 0.8434 0.4099 0.7692 -0.4903 0.7958 -0.5642 -0.2199 -0.0012 -8.0E-4 0.002 -0.162 -0.103 0.265 -0.058 -0.037 0.095 -0.054 -0.034 0.088 27 C 13 -0.048 0.4349 0.8992 0.1449 0.8937 -0.4246 0.9883 -0.1099 0.1059 -3.0E-4 -3.0E-4 6.0E-4 -0.165 -0.145 0.31 -0.059 -0.052 0.111 -0.055 -0.048 0.103 28 H 1 -0.2314 0.4303 0.8725 0.0048 0.8973 -0.4413 0.9728 0.098 0.2098 -3.0E-4 -3.0E-4 7.0E-4 -0.186 -0.167 0.352 -0.066 -0.059 0.126 -0.062 -0.056 0.118 29 H 1 0.0055 0.5544 0.8322 -0.0398 0.8317 -0.5538 0.9992 0.0301 -0.0267 -4.0E-4 -4.0E-4 8.0E-4 -0.218 -0.193 0.411 -0.078 -0.069 0.147 -0.073 -0.064 0.137 30 H 1 0.6029 0.2505 0.7574 0.3357 0.7816 -0.5258 0.7237 -0.5713 -0.3871 -9.0E-4 -7.0E-4 0.0016 -0.492 -0.375 0.867 -0.176 -0.134 0.309 -0.164 -0.125 0.289 31 H 1 0.5839 0.3493 0.7329 0.4191 0.6434 -0.6405 0.6953 -0.6812 -0.2293 -0.0015 -0.001 0.0025 -0.782 -0.547 1.33 -0.279 -0.195 0.474 -0.261 -0.183 0.444 32 H 1 0.3408 0.3425 0.8755 0.4579 0.7529 -0.4727 0.8211 -0.562 -0.0997 -7.0E-4 -6.0E-4 0.0013 -0.394 -0.311 0.706 -0.141 -0.111 0.252 -0.131 -0.104 0.235 33 H 1 -0.6795 -0.1954 0.7071 0.6735 0.216 0.7069 -0.2908 0.9567 -0.0151 -0.0187 6.0E-4 0.0181 -9.982 0.33 9.652 -3.562 0.118 3.444 -3.33 0.11 3.22 34 H 1 -4.80242694e-01 1.42112832e+00 -1.24157203e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 6 6 6 7 1 1 7 6 1 1 1 6 1 1 1 5 1 6 1 6 6 8 8 8 8 6 6 1 1 1 1 1 1 1 1 -0.000057845 0.000452507 -0.000254340 0.000147878 0.000257615 0.000021467 -0.000107754 -0.000410788 -0.000009572 0.000034957 -0.000192991 0.000292071 -0.000172246 0.000331424 -0.000017856 -0.000061799 -0.000021159 -0.000073873 0.000020197 -0.000731373 0.000057734 0.000036660 0.000166530 0.000139602 0.000297949 -0.000085445 -0.000212272 -0.000015040 -0.000021571 0.000011974 0.000080323 0.000115076 0.000039586 0.000044948 -0.000058264 0.000035464 -0.000032476 0.000011318 0.000073364 -0.000073848 -0.000033180 -0.000076606 0.000089060 0.000077448 -0.000028480 0.000117623 0.000293341 0.000308104 0.000161336 -0.000090297 -0.000935990 -0.000402665 0.000433261 0.000984272 0.000277949 -0.000301215 -0.000003776 0.000136190 -0.000011332 0.000886861 -0.000062760 0.000131354 -0.000620755 -0.000026314 0.000069661 -0.000496494 -0.000301185 -0.000233135 -0.000018485 0.000004550 0.000139354 0.000080904 0.000162379 -0.000293990 0.000127751 -0.000083473 0.000019869 -0.000080142 -0.000110186 -0.000111776 -0.000153163 0.000006615 -0.000009273 -0.000007939 0.000005377 0.000036712 0.000001861 0.000034030 -0.000005392 -0.000001108 0.000013906 0.000018999 0.000018407 -0.000051960 -0.000001498 0.000054792 -0.000026491 -0.000011278 0.000026658 -0.000079258 0.000004929 -0.000098237 -0.000006629 0.000064562 -0.000071785 0.000984272 0.000240242 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7767 0.7768 0.7767 0.7767 0.7768 0.7768 0.7768 0.7770 0.7770 0.7772 0.7779 0.7786 0.7777 0.7783 0.7786 0.7783 0.7785 0.7786 0.7787 0.7789 0.7789 0.7793 0.7792 0.7791 0.7793 0.7792 0.7791 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7790 0.7790 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 0.7789 open 1 1 1 -826.281809746686 -826.281810638339 -0.000000891653 -826.281810690309 -0.000000051969 -826.281810691339 -0.000000001030 -826.281810692640 -0.000000001300 -826.281810692673 -0.000000000034 -826.281810692678 -0.000000000005 -826.281810693 7 0.7789 8.183377922108e+02 -4.557690306694e+03 1.596879532116e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3145481200 LenY= 3145361734 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. 0.7789 (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 C C C N H H N C H H H C H H H B H C H C C O O O O C C H H H H H H H H 13 13 13 14 1 1 14 13 1 1 1 13 1 1 1 11 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 1 1 0.06702 -0.05213 0.09096 0.05681 0.00430 0.00186 -0.06243 -0.01769 0.00702 0.00876 0.00029 -0.02158 0.00876 0.00032 0.00797 0.04454 -0.00012 0.00220 -0.00003 0.00013 -0.00016 0.00117 0.00720 0.00003 0.00150 0.00279 0.00003 -0.00002 0.00003 -0.00002 -0.00000 0.00000 -0.00000 -0.00492 -0.00485 75.34262 -58.60144 102.26186 18.35666 19.21821 8.31277 -20.17130 -19.88980 31.35964 39.17229 1.31774 -24.25866 39.14062 1.43426 35.63137 63.89329 -0.53740 2.47220 -0.14854 0.14205 -0.18108 -0.70628 -4.36571 -0.01992 -0.90866 3.14049 0.03840 -0.07456 0.11284 -0.09121 -0.00398 0.01773 -0.00102 -21.97065 -21.65928 26.88412 -20.91045 36.48957 6.55011 6.85754 2.96620 -7.19762 -7.09717 11.18990 13.97765 0.47020 -8.65609 13.96635 0.51178 12.71416 22.79872 -0.19176 0.88214 -0.05300 0.05069 -0.06461 -0.25202 -1.55780 -0.00711 -0.32423 1.12060 0.01370 -0.02660 0.04026 -0.03255 -0.00142 0.00633 -0.00036 -7.83968 -7.72857 25.13159 -19.54734 34.11088 6.12312 6.41051 2.77284 -6.72842 -6.63452 10.46045 13.06647 0.43955 -8.09182 13.05591 0.47842 11.88535 21.31251 -0.17926 0.82464 -0.04955 0.04738 -0.06040 -0.23559 -1.45625 -0.00664 -0.30310 1.04755 0.01281 -0.02487 0.03764 -0.03042 -0.00133 0.00591 -0.00034 -7.32862 -7.22476 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 0.141649 -0.052429 0.167042 -0.020113 0.013572 -0.003376 -0.052404 -0.002973 -0.001258 -0.003930 -0.003728 -0.001492 -0.003958 0.000880 -0.000156 0.066865 0.002746 0.003242 0.000566 0.001378 0.002183 -0.001500 0.003707 0.001070 0.003634 0.003163 0.001565 0.001345 0.000224 0.000443 0.001138 0.001071 0.001409 -0.005631 0.007407 -0.159759 0.061436 -0.204140 -0.076597 -0.007203 0.006831 0.058694 0.005733 0.004154 0.007643 0.003409 0.004143 0.006960 0.000682 0.003955 -0.077680 -0.001050 -0.002169 -0.001110 -0.001845 -0.001229 0.000214 -0.003778 -0.000653 -0.000780 -0.001086 -0.000490 -0.000193 0.000497 0.002556 -0.000320 -0.000297 -0.000600 0.015039 -0.012152 0.018110 -0.009008 0.037099 0.096711 -0.006368 -0.003456 -0.006290 -0.002760 -0.002896 -0.003713 0.000320 -0.002651 -0.003002 -0.001562 -0.003798 0.010815 -0.001697 -0.001074 0.000544 0.000468 -0.000955 0.001286 0.000071 -0.000417 -0.002854 -0.002076 -0.001075 -0.001152 -0.000722 -0.002998 -0.000819 -0.000774 -0.000808 -0.009408 0.004745 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 0.140525 -0.051564 0.159200 0.079576 -0.008051 -0.003646 -0.025263 -0.001354 -0.004707 0.000242 0.001562 -0.003365 -0.001304 -0.005117 -0.005837 0.050874 0.003672 0.001233 0.000395 0.001796 -0.000232 0.003136 0.005497 -0.000254 -0.000257 0.001734 -0.001030 0.001722 0.001365 0.003982 -0.001233 -0.000825 -0.000550 -0.003470 -0.004340 0.295628 -0.101418 0.366784 0.169838 -0.010125 -0.001492 -0.085892 0.000579 0.001557 0.000159 -0.000168 -0.001416 -0.001259 -0.003274 -0.000176 0.127937 0.005418 0.003004 0.002003 0.002918 0.001239 0.000587 0.007792 0.000457 -0.000285 0.002701 -0.000451 -0.000274 0.000627 0.000940 -0.000991 -0.000117 -0.000368 0.007694 -0.007623 0.110693 -0.040700 0.135793 0.112232 0.003066 -0.001627 -0.021703 -0.002743 -0.002684 -0.000151 -0.005780 0.001520 0.003023 0.004524 -0.001613 0.041603 0.000597 -0.000037 0.000160 0.000968 -0.000369 -0.000866 0.004274 0.000230 -0.001046 0.000205 0.000026 -0.000116 0.000766 0.001040 0.000347 -0.000045 -0.000004 -0.001118 0.009228 -0.6666 0.257 0.6997 -0.0464 0.9226 -0.383 0.744 0.2877 0.6031 -0.2229 -0.2128 0.4356 -29.905 -28.552 58.457 -10.671 -10.188 20.859 -9.975 -9.524 19.499 1 C 13 0.7445 0.2911 0.6008 -0.606 -0.0827 0.7911 -0.28 0.9531 -0.1149 -0.1544 0.0729 0.0815 -20.722 9.787 10.935 -7.394 3.492 3.902 -6.912 3.265 3.648 2 C 13 -0.5791 -0.2175 0.7857 -0.3489 0.9372 0.0023 0.7369 0.2728 0.6186 -0.2708 -0.2631 0.5339 -36.341 -35.301 71.643 -12.968 -12.596 25.564 -12.122 -11.775 23.897 3 C 13 0.8058 0.0344 -0.5912 -0.243 0.9296 -0.2771 0.54 0.367 0.7574 -0.1413 -0.1309 0.2722 -5.45 -5.047 10.497 -1.945 -1.801 3.746 -1.818 -1.683 3.501 4 N 14 0.4503 0.2996 0.8411 0.14 0.9067 -0.3979 0.8818 -0.2969 -0.3664 -0.0107 -0.0098 0.0205 -5.708 -5.224 10.932 -2.037 -1.864 3.901 -1.904 -1.743 3.647 5 H 1 0.7384 0.2867 0.6104 -0.6089 -0.1056 0.7862 -0.2898 0.9522 -0.0966 -0.006 -0.0021 0.0081 -3.214 -1.111 4.325 -1.147 -0.396 1.543 -1.072 -0.371 1.443 6 H 1 0.7796 0.1788 0.6002 -0.6243 0.2972 0.7224 0.0492 0.9379 -0.3433 -0.1243 0.059 0.0653 -4.795 2.276 2.519 -1.711 0.812 0.899 -1.599 0.759 0.84 7 N 14 -0.3569 0.2146 0.9092 0.9223 0.2358 0.3064 -0.1486 0.9478 -0.2821 -0.0036 -0.0031 0.0068 -0.488 -0.42 0.907 -0.174 -0.15 0.324 -0.163 -0.14 0.303 8 C 13 0.8681 0.496 -0.019 -0.1226 0.2514 0.9601 -0.481 0.8311 -0.2791 -0.004 -0.0038 0.0078 -2.124 -2.026 4.15 -0.758 -0.723 1.481 -0.709 -0.676 1.384 9 H 1 0.8836 -0.0244 -0.4676 0.4677 0.0017 0.8839 0.0207 0.9997 -0.013 -0.004 -0.0036 0.0076 -2.145 -1.936 4.082 -0.765 -0.691 1.456 -0.716 -0.646 1.361 10 H 1 0.6503 -0.5153 -0.5581 0.7511 0.3258 0.5743 0.1141 0.7926 -0.5989 -0.0048 -0.0032 0.008 -2.573 -1.696 4.269 -0.918 -0.605 1.523 -0.858 -0.566 1.424 11 H 1 0.6953 0.1625 0.7001 -0.5785 -0.4515 0.6793 -0.4265 0.8773 0.2199 -0.0037 -0.0025 0.0062 -0.497 -0.329 0.827 -0.177 -0.118 0.295 -0.166 -0.11 0.276 12 C 13 0.7639 -0.0794 0.6405 -0.6316 -0.2959 0.7166 -0.1326 0.9519 0.2762 -0.0049 -0.0031 0.008 -2.603 -1.676 4.279 -0.929 -0.598 1.527 -0.868 -0.559 1.427 13 H 1 0.2429 0.7122 -0.6586 0.7573 0.2851 0.5875 -0.6062 0.6415 0.4701 -0.0052 -0.0036 0.0088 -2.8 -1.914 4.713 -0.999 -0.683 1.682 -0.934 -0.638 1.572 14 H 1 0.5902 0.4898 0.6417 -0.5739 -0.3045 0.7602 -0.5677 0.8169 -0.1014 -0.0052 -0.003 0.0082 -2.77 -1.611 4.381 -0.988 -0.575 1.563 -0.924 -0.537 1.461 15 H 1 -0.0324 0.9421 -0.3339 -0.6541 0.2326 0.7198 0.7557 0.2417 0.6087 -0.0942 -0.092 0.1862 -16.124 -15.753 31.876 -5.753 -5.621 11.374 -5.378 -5.255 10.633 16 B 11 -0.5989 0.3626 0.714 -0.087 0.8569 -0.5081 0.7961 0.3664 0.4816 -0.0059 -0.0018 0.0077 -3.168 -0.948 4.116 -1.13 -0.338 1.469 -1.057 -0.316 1.373 17 H 1 -0.4334 0.6133 0.6603 0.1705 0.7753 -0.6082 0.8849 0.151 0.4406 -0.0031 -0.0019 0.0049 -0.413 -0.251 0.664 -0.147 -0.089 0.237 -0.138 -0.084 0.221 18 C 13 0.672 -0.4044 -0.6204 0.2169 0.9085 -0.3572 0.7081 0.1055 0.6982 -0.0015 -0.0011 0.0026 -0.812 -0.575 1.387 -0.29 -0.205 0.495 -0.271 -0.192 0.463 19 H 1 -0.5235 0.8204 0.2301 -0.4272 -0.4864 0.7622 0.7372 0.3007 0.605 -0.0027 -0.0018 0.0045 -0.365 -0.24 0.605 -0.13 -0.085 0.216 -0.122 -0.08 0.202 20 C 13 -0.2097 0.6196 0.7564 0.2725 0.78 -0.5634 0.939 -0.088 0.3324 -0.0016 -0.001 0.0026 -0.215 -0.14 0.355 -0.077 -0.05 0.127 -0.072 -0.047 0.118 21 C 13 0.776 -0.6037 -0.1824 0.2979 0.0959 0.9498 0.5559 0.7914 -0.2543 -0.0041 0.0014 0.0027 0.295 -0.1 -0.195 0.105 -0.036 -0.07 0.098 -0.033 -0.065 22 O 17 -0.3671 0.917 -0.1562 -0.585 -0.0971 0.8052 0.7232 0.387 0.5721 -0.0067 -0.0061 0.0128 0.485 0.442 -0.927 0.173 0.158 -0.331 0.162 0.147 -0.309 23 O 17 0.2354 0.7747 -0.5869 -0.1391 0.6245 0.7685 0.9619 -0.0992 0.2548 -9.0E-4 -3.0E-4 0.0012 0.065 0.023 -0.088 0.023 0.008 -0.031 0.022 0.008 -0.029 24 O 17 0.0521 0.3862 0.921 0.0316 0.9211 -0.388 0.9981 -0.0493 -0.0358 -0.0033 -3.0E-4 0.0037 0.239 0.025 -0.265 0.085 0.009 -0.094 0.08 0.008 -0.088 25 O 17 -0.4272 0.249 0.8692 -0.1503 0.9284 -0.3398 0.8916 0.2758 0.3592 -0.0033 -0.0014 0.0048 -0.449 -0.193 0.642 -0.16 -0.069 0.229 -0.15 -0.065 0.214 26 C 13 0.2821 0.3724 0.8842 0.2796 0.8497 -0.447 0.9177 -0.3733 -0.1356 -0.0012 -8.0E-4 0.0021 -0.162 -0.113 0.275 -0.058 -0.04 0.098 -0.054 -0.038 0.092 27 C 13 -0.5357 0.7797 -0.3243 -0.113 0.3144 0.9425 0.8368 0.5415 -0.0803 -0.0013 -0.0012 0.0025 -0.708 -0.618 1.326 -0.253 -0.221 0.473 -0.236 -0.206 0.442 28 H 1 0.1588 -0.535 0.8298 0.7611 -0.469 -0.448 0.6289 0.7027 0.3327 -0.0011 -0.001 0.0021 -0.584 -0.526 1.11 -0.209 -0.188 0.396 -0.195 -0.175 0.37 29 H 1 -0.2313 -0.0157 0.9727 0.7628 -0.6235 0.1714 0.6039 0.7816 0.1562 -0.0032 -0.0026 0.0058 -1.728 -1.388 3.116 -0.617 -0.495 1.112 -0.576 -0.463 1.039 30 H 1 0.5015 0.3541 0.7894 0.2416 0.8188 -0.5208 0.8307 -0.4519 -0.3251 -0.0013 -9.0E-4 0.0022 -0.69 -0.482 1.172 -0.246 -0.172 0.418 -0.23 -0.161 0.391 31 H 1 0.2505 0.4574 0.8533 0.3435 0.782 -0.5201 0.9051 -0.4234 -0.0388 -8.0E-4 -6.0E-4 0.0015 -0.445 -0.336 0.78 -0.159 -0.12 0.278 -0.148 -0.112 0.26 32 H 1 0.2406 0.4352 0.8676 0.1442 0.8679 -0.4754 0.9598 -0.2395 -0.146 -9.0E-4 -7.0E-4 0.0016 -0.487 -0.368 0.855 -0.174 -0.131 0.305 -0.162 -0.123 0.285 33 H 1 -0.6237 -0.0423 0.7805 0.7572 0.2155 0.6167 -0.1943 0.9756 -0.1024 -0.0155 -4.0E-4 0.0158 -8.268 -0.188 8.455 -2.95 -0.067 3.017 -2.758 -0.063 2.82 34 H 1 PT41692.700S 2024-06-28T10:10:52.000 -19.32394 -19.31468 -19.25725 -19.25135 -14.50543 -14.49258 -10.44296 -10.44120 -10.36761 -10.35651 -10.33379 -10.32898 -10.32621 -10.31343 -10.29515 -10.29250 -6.83524 -1.22239 -1.21347 -1.13632 -1.12523 -1.11994 -0.93767 -0.90223 -0.89695 -0.83672 -0.81562 -0.80440 -0.80188 -0.69331 -0.68303 -0.67288 -0.66482 -0.64981 -0.63311 -0.60990 -0.60103 -0.58047 -0.57449 -0.56930 -0.55873 -0.54780 -0.52895 -0.52114 -0.51568 -0.51410 -0.51307 -0.50835 -0.49469 -0.48137 -0.47775 -0.47407 -0.47061 -0.46243 -0.46078 -0.44937 -0.44254 -0.40900 -0.40247 -0.39374 -0.38658 -0.36736 -0.36381 -0.34977 -0.18858 0.07000 0.07369 0.07847 0.12560 0.12933 0.15181 0.15721 0.16386 0.16660 0.17920 0.18371 0.19245 0.19716 0.20230 0.21327 0.21493 0.21712 0.22282 0.22621 0.23093 0.23986 0.24598 0.25194 0.26888 0.27139 0.28761 0.30281 0.30497 0.32278 0.33005 0.33663 0.36258 0.36514 0.37294 0.39875 0.39963 0.42614 0.44963 0.45675 0.46780 0.48195 0.49031 0.50348 0.51082 0.51939 0.53253 0.53567 0.53713 0.54993 0.55565 0.56673 0.57272 0.57861 0.58718 0.60109 0.61723 0.63815 0.65582 0.67390 0.67759 0.67983 0.69009 0.71071 0.71547 0.71776 0.72251 0.72742 0.73027 0.73164 0.73386 0.73790 0.74110 0.74876 0.75223 0.75400 0.76036 0.76415 0.76620 0.77787 0.78356 0.79148 0.80076 0.80477 0.81720 0.82691 0.83417 0.84244 0.85053 0.85672 0.87342 0.87908 0.89690 0.90472 0.92816 0.93767 0.95401 0.97733 0.98972 1.01449 1.02132 1.05031 1.06870 1.08467 1.08888 1.10496 1.11798 1.13166 1.14243 1.16215 1.16484 1.19408 1.20962 1.23162 1.25331 1.25720 1.26991 1.28231 1.28611 1.29583 1.29743 1.33165 1.34175 1.36424 1.38139 1.40561 1.41233 1.43804 1.45690 1.47642 1.49110 1.52818 1.54739 1.57017 1.58269 1.58901 1.59281 1.60303 1.60592 1.61435 1.62200 1.63021 1.65260 1.65699 1.66536 1.66989 1.67800 1.71036 1.74685 1.76177 1.77371 1.78664 1.79888 1.80975 1.81871 1.82789 1.83236 1.83923 1.84668 1.85862 1.86190 1.86943 1.87603 1.88443 1.88880 1.89550 1.91052 1.91520 1.93117 1.93849 1.94133 1.94919 1.96754 1.97279 1.98147 1.99962 2.00442 2.01335 2.01714 2.03101 2.04541 2.07297 2.09102 2.09949 2.12451 2.13568 2.17222 2.17784 2.18955 2.20042 2.21528 2.23089 2.24119 2.24275 2.25366 2.28481 2.30723 2.32385 2.34402 2.36126 2.38248 2.38624 2.39118 2.41294 2.42422 2.45255 2.47337 2.48899 2.51535 2.52153 2.55117 2.56146 2.58034 2.60073 2.60732 2.63926 2.66489 2.66789 2.71604 2.71807 2.72077 2.73591 2.74022 2.75458 2.76060 2.76633 2.78220 2.80851 2.82331 2.84815 2.87591 2.89387 2.89752 2.90621 2.91730 2.94210 2.95486 2.98804 3.00228 3.00788 3.03148 3.03789 3.04888 3.06168 3.07283 3.10588 3.13422 3.13985 3.16890 3.18458 3.21521 3.26031 3.27165 3.30723 3.34183 3.42780 3.49419 3.51948 3.52441 3.56728 3.70330 3.70605 3.74813 3.78496 -19.32392 -19.31460 -19.25725 -19.25133 -14.50712 -14.49040 -10.44296 -10.44119 -10.36761 -10.35646 -10.32906 -10.32895 -10.32030 -10.31384 -10.29733 -10.29299 -6.83278 -1.22236 -1.21339 -1.13336 -1.12517 -1.11986 -0.93093 -0.90216 -0.89039 -0.83668 -0.81351 -0.80431 -0.79961 -0.69179 -0.68245 -0.66640 -0.66060 -0.64664 -0.63256 -0.60968 -0.59999 -0.57901 -0.57386 -0.56390 -0.55806 -0.54114 -0.52743 -0.51793 -0.51283 -0.51223 -0.51169 -0.50261 -0.49187 -0.48114 -0.47636 -0.47149 -0.46674 -0.46137 -0.46033 -0.44908 -0.44032 -0.40863 -0.40104 -0.39267 -0.38601 -0.36369 -0.34860 -0.33041 0.02828 0.07079 0.07782 0.09920 0.12660 0.14891 0.15229 0.15901 0.16462 0.16688 0.18002 0.18404 0.19295 0.19808 0.20241 0.21372 0.21607 0.21786 0.22467 0.22761 0.23100 0.24091 0.24699 0.25594 0.26935 0.27337 0.28941 0.30646 0.30914 0.32352 0.33459 0.34025 0.36461 0.36716 0.37415 0.40093 0.40213 0.42961 0.45152 0.46681 0.47210 0.48461 0.49268 0.50523 0.51247 0.52063 0.53351 0.53779 0.53881 0.55302 0.55879 0.56812 0.57707 0.57952 0.58884 0.60402 0.62070 0.64016 0.65806 0.67577 0.67887 0.67921 0.69234 0.71105 0.71852 0.71914 0.72319 0.72892 0.73050 0.73318 0.73476 0.73923 0.74174 0.74954 0.75289 0.75529 0.76157 0.76624 0.76688 0.77887 0.78389 0.79335 0.80274 0.80583 0.82055 0.83001 0.83602 0.84516 0.85328 0.86241 0.87580 0.88295 0.90110 0.90632 0.92958 0.94137 0.95501 0.97999 0.99140 1.01659 1.02232 1.05664 1.07073 1.08955 1.09164 1.11045 1.12001 1.13363 1.14368 1.16332 1.16905 1.19503 1.21654 1.23285 1.25600 1.25957 1.27139 1.28367 1.29174 1.29804 1.29995 1.33365 1.34256 1.36560 1.38160 1.40651 1.41365 1.44041 1.45829 1.47883 1.49642 1.52851 1.55687 1.57084 1.58276 1.59177 1.59698 1.60446 1.60737 1.62056 1.62570 1.63282 1.65383 1.65840 1.66555 1.67112 1.67893 1.71539 1.74775 1.76428 1.77782 1.78749 1.79950 1.81254 1.82064 1.83024 1.83380 1.84072 1.84807 1.86016 1.86537 1.87253 1.87836 1.88641 1.89136 1.89580 1.91275 1.91669 1.93353 1.93950 1.94305 1.95116 1.96901 1.97881 1.98739 2.00316 2.00678 2.01472 2.02116 2.03281 2.04585 2.07497 2.09136 2.10142 2.12480 2.13877 2.17478 2.18149 2.19270 2.20256 2.21575 2.23263 2.24321 2.24569 2.25718 2.28789 2.30864 2.32673 2.34784 2.36249 2.38271 2.38751 2.39350 2.41345 2.42684 2.45614 2.47472 2.49039 2.51853 2.52398 2.55310 2.56207 2.58200 2.60091 2.60779 2.64441 2.66760 2.67230 2.71711 2.71821 2.72246 2.73679 2.74230 2.75565 2.76525 2.76697 2.78235 2.80955 2.82572 2.85002 2.87595 2.89405 2.89781 2.90831 2.91761 2.94492 2.95528 2.98820 3.00315 3.00844 3.03223 3.03933 3.05043 3.06176 3.07331 3.10694 3.13442 3.14124 3.17167 3.18828 3.21870 3.26037 3.27175 3.30726 3.34190 3.42960 3.49607 3.52014 3.52481 3.56939 3.70331 3.70610 3.74814 3.78498 2-A. -1.62492656e-01 7.99518039e-01 8.06224049e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4130 2.0322 0.2049 2.0838 -105.2550 -92.3802 -104.7246 2.7143 -10.8311 -1.4921 -4.4684 8.4064 -3.9380 2.7143 -10.8311 -1.4921 2.3908 5.9996 -25.6694 -29.3394 -9.9390 8.9460 -19.7924 13.8277 11.4018 -12.0065 -2628.0886 -1839.2710 -804.3532 -7.8719 -141.5381 45.6728 -4.3232 -33.4538 31.7720 -684.0802 -532.9400 -460.3038 25.7920 -35.8298 8.1006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -826.2818107 0.778905 0. 0.750493 5.856E-9 9.625E-6 0.4169809,2.8126569,-3.2296378,5.2587664,-7.3771867,2.8544305 C01 [X(C10H18B1N2O4)] 0.1773934 0.7893103 0.1328672 0.000010081 0.000006671 -0.000004714 0.000003222 -0.000010836 0.000014875 -0.000000569 -0.000010172 -0.000025932 -0.000002470 0.000006077 -0.000009313 -0.000007307 0.000000954 0.000020587 -0.000008635 0.000003976 -0.000008180 -0.000010912 0.000009046 0.000016185 0.000002098 0.000001974 0.000002273 0.000000325 -0.000003466 -0.000002760 -0.000000713 -0.000001038 -0.000000916 -0.000000817 0.000000916 -0.000001374 0.000011181 0.000005864 0.000008976 -0.000003355 -0.000001635 -0.000003179 -0.000002899 -0.000000259 -0.000004908 -0.000000733 0.000000483 -0.000001757 0.000013671 0.000000710 -0.000009492 0.000010712 0.000002093 0.000006737 -0.000017239 -0.000015870 -0.000004805 -0.000001579 0.000004083 0.000003482 0.000033178 -0.000005756 -0.000042150 0.000014787 0.000012146 0.000009625 -0.000012354 0.000009977 0.000009045 -0.000020050 -0.000006850 0.000031503 -0.000002880 0.000000302 0.000000739 -0.000006342 -0.000012971 -0.000005319 0.000004268 0.000011911 -0.000009356 -0.000000625 0.000007397 -0.000002055 -0.000000041 -0.000002172 0.000001544 -0.000000221 -0.000001619 0.000000512 0.000001024 -0.000001295 0.000003949 0.000001088 -0.000001559 -0.000000183 -0.000000866 -0.000002202 0.000000387 0.000001927 -0.000003748 0.000003593 -0.000002073 0.000001113 0.000002842 -0.000004882 -0.000004244 -0.000000460 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4685,.9054,-.1418;2.805,-.3008,-.7268;2.1385,-1.3228,-.0411;1.656,.6289,.9501;.8326,1.2065,1.1177;3.4792,-.4408,-1.5689;1.3814,-.7369,.9731;2.8558,2.3071,-.4534;1.9687,2.9515,-.5792;3.4662,2.7482,.3523;3.4368,2.3442,-1.3837;2.1098,-2.7864,-.275;1.0957,-3.1169,-.5554;2.7947,-3.0472,-1.0922;2.4083,-3.3487,.6257;.4992,-1.3208,1.9141;.2669,.651,-1.3147;-.8248,.6009,-1.441;-1.0471,.7296,-2.5085;-1.257,-.8044,-1.0624;-1.5341,1.6898,-.6745;-.8521,-1.7932,-1.6091;-2.1487,-.8044,-.0738;-2.5161,2.2672,-1.0464;-.9375,1.9532,.5043;-2.6307,-2.0724,.3525;-1.605,2.8808,1.3505;-3.3736,-1.8683,1.1305;-3.0909,-2.6112,-.4875;-1.8071,-2.6727,.763;-.9936,2.9632,2.256;-1.6979,3.8593,.8595;-2.6087,2.5127,1.6037;.3262,-2.5111,1.8654;-.0384,-.5908,2.7098; Gaussian 16 GINC-NODO02 CECILIA coments ES64L-G16RevC.02 99 C1[X(C10H18BN2O4)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4685,.9054,-.1418;2.805,-.3008,-.7268;2.1385,-1.3228,-.0411;1.656,.6289,.9501;.8326,1.2065,1.1177;3.4792,-.4408,-1.5689;1.3814,-.7369,.9731;2.8558,2.3071,-.4534;1.9687,2.9515,-.5792;3.4662,2.7482,.3523;3.4368,2.3442,-1.3837;2.1098,-2.7864,-.275;1.0957,-3.1169,-.5554;2.7947,-3.0472,-1.0922;2.4083,-3.3487,.6257;.4992,-1.3208,1.9141;.2669,.651,-1.3147;-.8248,.6009,-1.441;-1.0471,.7296,-2.5085;-1.257,-.8044,-1.0624;-1.5341,1.6898,-.6745;-.8521,-1.7932,-1.6091;-2.1487,-.8044,-.0738;-2.5161,2.2672,-1.0464;-.9375,1.9532,.5043;-2.6307,-2.0724,.3525;-1.605,2.8809,1.3505;-3.3736,-1.8683,1.1305;-3.0909,-2.6112,-.4875;-1.8071,-2.6727,.763;-.9936,2.9632,2.256;-1.6979,3.8593,.8595;-2.6087,2.5127,1.6037;.3262,-2.5111,1.8654;-.0384,-.5908,2.7098; 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 12 12 12 14 1 1 14 12 1 1 1 12 1 1 1 11 1 12 1 12 12 16 16 16 16 12 12 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 1 1 2 0 1 1 1 0 1 1 1 3 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "71_a_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 1 1 1 2 2 3 3 4 4 5 7 8 8 8 12 12 12 16 16 17 18 18 18 20 20 21 21 23 25 26 26 26 27 27 27 2 4 8 3 6 7 12 5 7 25 16 9 10 11 13 14 15 34 35 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 1.3822 1.3888 1.4872 1.3996 1.0877 1.3947 1.4825 1.0197 1.3933 2.0167 1.4159 1.1036 1.1028 1.0975 1.1028 1.0977 1.103 1.2038 1.2062 1.1001 1.0979 1.5182 1.5088 1.2003 1.3314 1.1983 1.3471 1.4219 1.4221 1.0949 1.0989 1.0986 1.0957 1.0987 1.0986 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 4 1 1 3 2 2 7 1 1 5 4 3 3 4 1 1 1 9 9 10 3 3 3 13 13 14 7 7 34 17 17 17 19 19 20 18 18 22 18 18 24 20 5 5 21 23 23 23 28 28 29 25 25 25 31 31 32 1 1 1 2 2 2 3 3 3 4 4 4 5 7 7 7 8 8 8 8 8 8 12 12 12 12 12 12 16 16 16 18 18 18 18 18 18 20 20 20 21 21 21 23 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 4 8 8 3 6 6 7 12 12 5 7 7 25 4 16 16 9 10 11 10 11 11 13 14 15 14 15 15 34 35 35 19 20 21 20 21 21 22 23 23 24 25 25 26 21 27 27 28 29 30 29 30 30 31 32 33 32 33 33 107.5436 132.1013 120.3115 108.2976 126.2175 125.4822 107.9412 130.7579 121.2616 119.2674 108.8732 113.1637 150.2866 107.0232 130.4156 122.5496 111.4025 111.5966 110.3223 107.1381 108.0041 108.2228 110.718 109.8732 111.6667 108.258 107.6814 108.5401 118.0612 117.8101 124.127 107.8923 107.22 112.0432 107.0575 108.3106 114.046 123.5699 112.08 124.3414 125.1227 112.1744 122.7028 116.7227 125.6275 118.1955 116.1272 106.0663 110.4907 110.1879 110.5109 110.1797 109.3685 106.1964 110.7755 110.3263 110.4653 110.1527 108.9087 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 4 4 8 8 2 2 8 8 2 2 2 4 4 4 1 1 6 6 2 2 12 12 2 2 2 7 7 7 1 7 1 1 5 5 4 4 3 3 4 4 17 17 19 19 21 21 17 17 19 19 20 20 18 22 18 18 24 24 20 20 20 5 5 5 21 21 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 7 7 7 7 18 18 18 18 18 18 18 18 18 18 18 18 20 20 21 21 21 21 23 23 23 25 25 25 25 25 25 2 2 2 2 4 4 4 4 8 8 8 8 8 8 3 3 3 3 7 7 7 7 12 12 12 12 12 12 5 5 7 7 7 7 25 25 16 16 16 16 20 20 20 20 20 20 21 21 21 21 21 21 23 23 25 25 25 25 26 26 26 27 27 27 27 27 27 3 6 3 6 5 7 5 7 9 10 11 9 10 11 7 12 7 12 4 16 4 16 13 14 15 13 14 15 25 25 3 16 3 16 21 27 34 35 34 35 22 23 22 23 22 23 24 25 24 25 24 25 26 26 5 27 5 27 28 29 30 31 32 33 31 32 33 3.2891 -176.1308 -179.1806 1.3994 -137.4891 -5.5666 44.6333 176.5558 126.6461 -113.6476 6.7008 -56.0819 63.6244 -176.0272 0.188 177.8783 179.6133 -2.6964 -3.5695 177.6674 178.477 -0.2861 -115.1582 4.3722 124.8636 62.2711 -178.1986 -57.7071 58.8035 -71.2201 5.6541 -175.4631 140.7451 -40.3721 0.8659 -176.4605 -0.9951 179.4567 -179.592 0.8598 -59.111 121.9235 56.4545 -122.511 176.2401 -2.7255 143.6931 -36.4353 24.8033 -155.3251 -94.2741 85.5974 179.4746 0.5185 8.1148 -174.5096 -172.01 5.3655 -177.7001 -57.9063 63.0659 -3.1102 116.8637 -122.4627 179.3102 -60.716 59.9576 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00025 0.00095 0.00129 0.00156 0.00231 0.00291 0.00311 0.00483 0.00772 0.00813 0.00913 0.01169 0.01348 0.01665 0.01909 0.02115 0.02245 0.03148 0.03452 0.03652 0.03859 0.04030 0.04299 0.04755 0.05364 0.05583 0.05597 0.05622 0.05900 0.05992 0.06216 0.07682 0.08115 0.08180 0.08356 0.08400 0.09719 0.11014 0.11453 0.11955 0.12348 0.12396 0.13196 0.13360 0.13685 0.14491 0.14637 0.15117 0.16390 0.17598 0.18355 0.18728 0.18763 0.18832 0.19063 0.19158 0.19752 0.20480 0.21465 0.23589 0.23884 0.24236 0.24770 0.24943 0.25323 0.26467 0.29877 0.32005 0.33299 0.33494 0.33584 0.34036 0.34196 0.34720 0.34763 0.34824 0.34870 0.35065 0.35167 0.35192 0.35248 0.35482 0.35631 0.35780 0.36706 0.37225 0.37599 0.39051 0.39749 0.40461 0.41555 0.44685 0.45357 0.46255 0.49622 0.50200 0.94839 0.96102 1.05027 Angle between quadratic step and forces= 76.04 degrees. 1 2 3 0.00086197 0.00000131 0.00000000 0.00000053 0.00000001 0.00000001 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 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 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 2.61192 2.62448 2.81043 2.64480 2.05547 2.63560 2.80145 1.92692 2.63297 3.81098 2.67558 2.08554 2.08407 2.07397 2.08408 2.07428 2.08436 2.27482 2.27935 2.07893 2.07475 2.86896 2.85119 2.26817 2.51591 2.26451 2.54569 2.68700 2.68737 2.06912 2.07667 2.07610 2.07049 2.07629 2.07610 1.87699 2.30560 2.09983 1.89015 2.20291 2.19008 1.88393 2.28216 2.11641 2.08161 1.90020 1.97508 2.62300 1.86791 2.27618 2.13889 1.94434 1.94773 1.92549 1.86991 1.88503 1.88884 1.93239 1.91765 1.94895 1.88946 1.87940 1.89438 2.06056 2.05617 2.16643 1.88308 1.87134 1.95552 1.86851 1.89038 1.99048 2.15670 1.95616 2.17017 2.18380 1.95781 2.14157 2.03719 2.19261 2.06290 2.02680 1.85121 1.92843 1.92314 1.92878 1.92300 1.90884 1.85348 1.93340 1.92556 1.92798 1.92253 1.90082 0.05741 -3.07406 -3.12729 0.02442 -2.39964 -0.09716 0.77900 3.08148 2.21039 -1.98353 0.11695 -0.97881 1.11046 -3.07225 0.00328 3.10456 3.13484 -0.04706 -0.06230 3.10088 3.11501 -0.00499 -2.00989 0.07631 2.17928 1.08684 -3.11015 -1.00718 1.02631 -1.24302 0.09868 -3.06241 2.45647 -0.70463 0.01511 -3.07982 -0.01737 3.13211 -3.13447 0.01501 -1.03168 2.12797 0.98532 -2.13822 3.07597 -0.04757 2.50792 -0.63592 0.43290 -2.71093 -1.64539 1.49396 3.13242 0.00905 0.14163 -3.04577 -3.00214 0.09365 -3.10145 -1.01066 1.10071 -0.05428 2.03966 -2.13738 3.12955 -1.05969 1.04646 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 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00003 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00003 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 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -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 0.00002 0.00000 -0.00001 -0.00003 0.00000 0.00007 -0.00002 -0.00001 -0.00001 0.00113 -0.00004 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00003 -0.00002 -0.00006 0.00000 -0.00002 0.00010 0.00002 -0.00004 -0.00004 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00001 -0.00002 -0.00002 0.00005 0.00004 -0.00006 0.00002 -0.00002 0.00004 -0.00000 0.00020 0.00002 0.00001 -0.00137 -0.00000 -0.00005 0.00005 -0.00002 0.00000 -0.00001 0.00004 -0.00002 0.00001 0.00003 0.00000 -0.00000 -0.00006 -0.00001 0.00003 0.00003 0.00006 -0.00009 0.00002 -0.00001 -0.00009 0.00007 0.00001 0.00000 0.00007 -0.00003 -0.00004 -0.00006 0.00005 0.00001 -0.00002 0.00040 -0.00035 -0.00005 0.00002 0.00004 0.00001 -0.00000 -0.00006 -0.00001 0.00000 0.00002 -0.00003 0.00003 -0.00005 0.00002 0.00002 -0.00030 0.00028 -0.00004 -0.00021 0.00002 -0.00043 -0.00020 -0.00100 -0.00096 -0.00095 -0.00072 -0.00068 -0.00067 -0.00005 0.00025 0.00026 0.00055 0.00006 0.00002 -0.00020 -0.00024 -0.00045 -0.00050 -0.00046 -0.00013 -0.00017 -0.00013 -0.00067 -0.00092 -0.00005 -0.00001 0.00026 0.00029 0.00119 0.00111 0.00015 0.00026 0.00010 0.00021 -0.00123 -0.00136 -0.00117 -0.00131 -0.00111 -0.00125 0.00045 0.00043 0.00047 0.00045 0.00038 0.00036 0.00004 -0.00010 -0.00016 -0.00010 -0.00018 -0.00012 0.00085 0.00088 0.00090 0.00159 0.00165 0.00167 0.00151 0.00157 0.00159 0.00002 0.00000 -0.00001 -0.00003 0.00000 0.00007 -0.00002 -0.00001 -0.00001 0.00113 -0.00004 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00003 -0.00002 -0.00006 0.00000 -0.00002 0.00010 0.00002 -0.00004 -0.00004 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00001 -0.00002 -0.00002 0.00005 0.00004 -0.00006 0.00002 -0.00002 0.00004 -0.00000 0.00020 0.00002 0.00001 -0.00137 -0.00000 -0.00005 0.00005 -0.00002 0.00000 -0.00001 0.00004 -0.00002 0.00001 0.00003 0.00000 -0.00000 -0.00006 -0.00001 0.00003 0.00003 0.00006 -0.00009 0.00002 -0.00001 -0.00009 0.00007 0.00001 0.00000 0.00007 -0.00003 -0.00004 -0.00006 0.00005 0.00001 -0.00002 0.00040 -0.00035 -0.00005 0.00002 0.00004 0.00001 -0.00000 -0.00006 -0.00001 0.00000 0.00002 -0.00003 0.00003 -0.00005 0.00002 0.00002 -0.00030 0.00028 -0.00004 -0.00021 0.00002 -0.00043 -0.00020 -0.00100 -0.00096 -0.00095 -0.00072 -0.00068 -0.00067 -0.00005 0.00025 0.00026 0.00055 0.00006 0.00002 -0.00020 -0.00024 -0.00045 -0.00050 -0.00046 -0.00013 -0.00017 -0.00013 -0.00067 -0.00092 -0.00005 -0.00001 0.00026 0.00029 0.00119 0.00111 0.00015 0.00026 0.00010 0.00021 -0.00123 -0.00136 -0.00117 -0.00131 -0.00111 -0.00125 0.00045 0.00043 0.00047 0.00045 0.00038 0.00036 0.00004 -0.00010 -0.00016 -0.00010 -0.00018 -0.00012 0.00085 0.00088 0.00090 0.00159 0.00165 0.00167 0.00151 0.00157 0.00159 2.61194 2.62448 2.81042 2.64477 2.05548 2.63567 2.80143 1.92691 2.63296 3.81211 2.67554 2.08554 2.08406 2.07397 2.08410 2.07428 2.08436 2.27481 2.27935 2.07897 2.07473 2.86890 2.85119 2.26815 2.51601 2.26452 2.54565 2.68696 2.68737 2.06913 2.07667 2.07611 2.07049 2.07628 2.07611 1.87696 2.30559 2.09988 1.89019 2.20285 2.19010 1.88390 2.28220 2.11641 2.08181 1.90022 1.97509 2.62163 1.86791 2.27613 2.13895 1.94432 1.94773 1.92547 1.86995 1.88501 1.88886 1.93243 1.91765 1.94895 1.88940 1.87938 1.89441 2.06059 2.05623 2.16634 1.88310 1.87134 1.95543 1.86857 1.89039 1.99048 2.15678 1.95614 2.17012 2.18375 1.95786 2.14157 2.03718 2.19301 2.06255 2.02676 1.85123 1.92846 1.92315 1.92878 1.92294 1.90883 1.85348 1.93342 1.92552 1.92802 1.92248 1.90084 0.05742 -3.07436 -3.12702 0.02439 -2.39984 -0.09713 0.77857 3.08128 2.20939 -1.98449 0.11600 -0.97953 1.10978 -3.07292 0.00323 3.10481 3.13510 -0.04651 -0.06224 3.10090 3.11481 -0.00524 -2.01034 0.07581 2.17882 1.08671 -3.11032 -1.00731 1.02564 -1.24394 0.09863 -3.06242 2.45672 -0.70433 0.01630 -3.07870 -0.01722 3.13237 -3.13437 0.01522 -1.03291 2.12660 0.98415 -2.13953 3.07486 -0.04881 2.50837 -0.63548 0.43337 -2.71048 -1.64502 1.49432 3.13246 0.00895 0.14147 -3.04587 -3.00232 0.09353 -3.10060 -1.00977 1.10161 -0.05269 2.04130 -2.13571 3.13107 -1.05813 1.04804 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000005 0.003249 0.000862 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -5.227316e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 345 A 328 A 328 551 345 65 64 1316.2194411239 35 35 35 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 -0.0282694491 0.000000 1.382167 0.000000 2.254734 1.399570 0.000000 1.388812 2.235267 2.241494 0.000000 2.086437 3.092654 3.073351 1.019682 0.000000 2.206823 1.087710 2.215667 3.288314 4.115248 0.000000 2.263180 2.259769 1.394698 1.393307 2.024542 3.309058 0.000000 1.487214 2.622688 3.722959 2.495093 2.787984 3.030464 3.670768 0.000000 2.151204 3.361344 4.311358 2.798404 2.686139 3.842953 4.044605 1.103620 0.000000 2.153012 3.301221 4.300069 2.850584 3.146251 3.722967 4.108293 1.102845 1.775263 0.000000 2.133084 2.797623 4.115184 3.400003 3.785922 2.791438 4.390029 1.097497 1.780791 1.782629 0.000000 3.711577 2.620235 1.482463 3.656622 4.417461 3.008513 2.507751 5.150924 5.747685 5.732826 5.414160 0.000000 4.270185 3.298707 2.137931 4.075681 4.643265 3.724181 2.842925 5.703319 6.130895 6.390825 5.999173 1.102850 0.000000 4.078322 2.770622 2.123415 4.356717 5.179502 2.736644 3.405925 5.392625 6.076994 6.010339 5.437327 1.097663 1.783162 0.000000 4.323168 3.358011 2.149817 4.061026 4.845012 3.797225 2.827815 5.775152 6.429399 6.194024 6.124089 1.102996 1.780955 1.786450 0.000000 3.613972 3.651234 2.551535 2.463479 2.670673 4.667500 1.415858 4.931515 5.160280 5.272498 5.739079 3.087766 3.111330 4.157832 3.068666 0.000000 2.507514 2.773746 3.003448 2.656931 2.558314 3.402241 2.898641 3.191694 2.954555 4.172868 3.594415 4.036454 3.931954 4.485112 4.934383 3.790390 0.000000 3.553425 3.807732 3.800187 3.445670 3.108169 4.430066 3.533369 4.175334 3.751251 5.122498 4.604722 4.630893 4.277180 5.150851 5.506659 4.086912 1.100125 0.000000 4.241658 4.367475 4.521947 4.390722 4.112126 4.768599 4.491000 4.684485 4.213541 5.712155 4.896628 5.226518 4.816760 5.570432 6.196375 5.114138 1.777032 1.097909 0.000000 4.201268 4.106878 3.583496 3.819712 3.628074 4.777036 3.333000 5.193016 4.974481 6.077122 5.661133 3.985466 3.337653 4.631180 4.770511 3.494414 2.122276 1.518186 2.118527 0.000000 4.113438 4.774248 4.792174 3.733866 3.007792 5.520169 4.135605 4.438632 3.724389 5.213282 5.063722 5.785664 5.480320 6.430586 6.528323 4.460803 2.175454 1.508783 2.126657 2.539297 0.000000 4.523570 4.047324 3.409411 4.325177 4.390014 4.537735 3.573837 5.647771 5.615198 6.566605 5.963553 3.396986 2.580015 3.890951 4.247895 3.803009 2.704295 2.400155 2.685401 1.200266 3.670137 0.000000 4.924112 5.021887 4.318545 4.192664 3.788320 5.834398 3.682616 5.905126 5.596032 6.658094 6.544254 4.701422 4.013138 5.523081 5.265768 3.351077 3.081104 2.365799 3.081326 1.331364 2.638101 2.239663 0.000000 5.245898 5.917025 5.963543 4.906783 4.125778 6.599189 5.319106 5.404687 4.560737 6.162485 5.962941 6.894394 6.501850 7.513305 7.653969 5.543479 3.229416 2.406827 2.580681 3.319632 1.198326 4.424055 3.242799 0.000000 3.621619 4.538964 4.526700 2.945974 2.016685 5.434648 3.582352 3.928257 3.258313 4.477502 4.780321 5.688287 5.564342 6.440618 6.270425 3.843250 2.540592 2.371797 3.253540 3.187561 1.347123 4.302217 3.066829 2.234966 0.000000 5.925691 5.818113 4.843780 5.101971 4.830235 6.609388 4.273800 7.066191 6.874770 7.772461 7.702924 4.834842 3.975041 5.698436 5.205251 3.577728 4.311893 3.691127 4.306281 2.344536 4.051067 2.662526 1.421900 4.560919 4.369825 0.000000 4.766852 5.821194 5.798361 3.983192 2.966388 6.738279 4.706246 4.845781 4.062044 5.170235 5.760498 6.968477 6.848279 7.775986 7.445695 4.732757 3.947081 3.687780 4.453200 4.418636 2.350394 5.583315 3.988185 2.636648 1.422096 5.155899 0.000000 6.591102 6.639421 5.661597 5.618327 5.210239 7.502302 4.890248 7.664714 7.395539 8.288625 8.393306 5.734624 4.937166 6.661684 5.989681 3.989070 5.057556 4.382451 5.040203 3.228107 4.393331 3.724086 2.020498 4.751432 4.574983 1.094933 5.072580 0.000000 6.587360 6.336960 5.404256 5.924363 5.704845 7.003260 5.064331 7.717123 7.520099 8.510270 8.244375 5.207974 4.217542 5.932626 5.658975 4.507998 4.754049 4.044988 4.407088 2.637858 4.577872 2.634216 2.079281 4.943822 5.143376 1.098928 5.979071 1.802700 0.000000 5.648232 5.396037 4.247002 4.788397 4.705510 6.193846 3.736036 6.929674 6.905776 7.573846 7.568078 4.053742 3.218990 4.975837 4.271496 2.910699 4.434513 4.066763 4.780708 2.669293 4.601243 2.704120 2.075322 5.308307 4.713961 1.098625 5.588167 1.798829 1.793156 0.000000 4.687256 5.829273 5.784175 3.764971 2.777917 6.798694 4.580070 4.752788 4.100495 4.853936 5.767071 7.006785 7.016875 7.854083 7.353238 4.549488 4.436771 4.390574 5.262329 5.027527 3.240613 6.130497 4.577897 3.702465 2.022878 5.626821 1.095654 5.502247 6.557418 5.886759 0.000000 5.204600 6.332442 6.510295 4.657592 3.675315 7.154734 5.533570 4.986934 4.042091 5.306667 5.804566 7.742858 7.646822 8.467195 8.298857 5.724809 4.345228 4.083170 4.643491 5.063437 2.662127 6.225830 4.777547 2.614707 2.082791 6.026028 1.098728 5.973882 6.754473 6.533622 1.802629 0.000000 5.604302 6.531101 6.320799 4.707836 3.712788 7.473281 5.184418 5.842428 5.090188 6.206929 6.745393 7.339921 7.076486 8.208370 7.777037 4.944828 4.500198 4.013437 4.746362 4.465248 2.649890 5.652349 3.745555 2.663014 2.077199 4.752894 1.098627 4.472453 5.555253 5.313921 1.799127 1.787883 0.000000 4.504508 4.212990 2.886415 3.530649 3.825660 5.101113 2.248840 5.915246 6.205934 6.309465 6.618613 2.799711 2.611419 3.889493 2.563848 1.203782 4.484992 4.684183 5.614144 3.740542 5.249656 3.738503 3.577440 6.276051 4.835185 3.350325 5.750424 3.826470 4.150045 2.406821 5.644644 6.759524 5.824155 0.000000 4.080995 4.469774 3.583575 2.730404 2.554127 5.540941 2.247893 5.174881 5.233906 5.384163 6.119440 4.282989 4.281163 5.339919 4.234956 1.206179 4.222716 4.389482 5.476382 3.969888 4.346417 4.556410 3.499565 5.330640 3.484897 3.804215 4.044038 3.905101 4.860283 3.354495 3.708015 5.097214 4.178751 2.129123 0.000000 C10H18BN2O4(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 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:1.8791,1.7337,-.2085;2.6761,.7356,-.7366;2.4991,-.4207,.0318;1.2665,1.2228,.9284;.2802,1.4209,1.095;3.3375,.8281,-1.5952;1.5802,-.1302,1.0399;1.6496,3.146,-.6144;.5742,3.3587,-.7419;2.0334,3.8527,.1402;2.152,3.3551,-1.5675;3.0741,-1.779,-.117;2.2833,-2.5153,-.3382;3.7955,-1.7903,-.9443;3.589,-2.1062,.8019;1.0292,-.9595,2.0465;-.0356,.5178,-1.2777;-1.0108,.015,-1.3581;-1.2795,-.032,-2.4216;-.82,-1.4143,-.8834;-2.0968,.7656,-.6276;-.0499,-2.1842,-1.3883;-1.62,-1.7135,.1379;-3.234,.8617,-.9929;-1.6476,1.3305,.5099;-1.5306,-3.0353,.6543;-2.628,1.9572,1.3275;-2.2819,-3.1021,1.4479;-1.7377,-3.7715,-.135;-.5278,-3.2146,1.0656;-2.094,2.345,2.2022;-3.1224,2.7752,.7856;-3.3872,1.2274,1.6404;1.3622,-2.116,2.0725;.2481,-.4626,2.8198; 0.5432739 0.4265781 0.3082278 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= 345 345 345 345 345 MxSgAt= 35 MxSgA2= 35. 1 open 1 1 1 -826.281810692679 -826.281810693 1 0.7789 8.183377934421e+02 -4.557690297966e+03 1.596879522157e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3145481200 LenY= 3145361734 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. 0.7789 Using compressed storage, NAtomX= 35. Will process 36 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111 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. 10557 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3145728000 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= 105 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= 105 NMatS0= 105 NMatT0= 0 NMatD0= 105 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 108 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 105 vectors produced by pass 0 Test12= 3.40D-14 1.00D-09 XBig12= 1.50D+02 5.02D+00. AX will form 105 AO Fock derivatives at one time. 105 vectors produced by pass 1 Test12= 3.40D-14 1.00D-09 XBig12= 1.60D+01 6.10D-01. 105 vectors produced by pass 2 Test12= 3.40D-14 1.00D-09 XBig12= 4.21D-01 8.68D-02. 105 vectors produced by pass 3 Test12= 3.40D-14 1.00D-09 XBig12= 5.86D-03 1.15D-02. 105 vectors produced by pass 4 Test12= 3.40D-14 1.00D-09 XBig12= 5.74D-05 7.30D-04. 105 vectors produced by pass 5 Test12= 3.40D-14 1.00D-09 XBig12= 4.74D-07 7.17D-05. 105 vectors produced by pass 6 Test12= 3.40D-14 1.00D-09 XBig12= 4.36D-09 5.41D-06. 56 vectors produced by pass 7 Test12= 3.40D-14 1.00D-09 XBig12= 3.72D-11 3.88D-07. 7 vectors produced by pass 8 Test12= 3.40D-14 1.00D-09 XBig12= 2.88D-13 3.49D-08. 3 vectors produced by pass 9 Test12= 3.40D-14 1.00D-09 XBig12= 3.01D-15 3.44D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 801 with 108 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 151.94 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 140.952 -4.121 173.014 -19.729 -21.581 141.840 152.391 -8.194 172.130 -19.122 -12.055 156.678 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 C C C N H H N C H H H C H H H B H C H C C O O O O C C H H H H H H H H 13 13 13 14 1 1 14 13 1 1 1 13 1 1 1 11 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 1 1 0.06702 -0.05213 0.09096 0.05681 0.00430 0.00186 -0.06243 -0.01769 0.00702 0.00876 0.00029 -0.02158 0.00876 0.00032 0.00797 0.04454 -0.00012 0.00220 -0.00003 0.00013 -0.00016 0.00117 0.00720 0.00003 0.00150 0.00279 0.00003 -0.00002 0.00003 -0.00002 -0.00000 0.00000 -0.00000 -0.00492 -0.00485 75.34233 -58.60121 102.26165 18.35665 19.21812 8.31272 -20.17140 -19.88972 31.35956 39.17223 1.31774 -24.25859 39.14057 1.43425 35.63130 63.89360 -0.53740 2.47221 -0.14854 0.14204 -0.18108 -0.70627 -4.36575 -0.01992 -0.90864 3.14049 0.03840 -0.07455 0.11284 -0.09120 -0.00398 0.01773 -0.00102 -21.97077 -21.65940 26.88402 -20.91037 36.48950 6.55011 6.85750 2.96619 -7.19766 -7.09715 11.18987 13.97763 0.47020 -8.65607 13.96633 0.51177 12.71413 22.79882 -0.19176 0.88215 -0.05300 0.05068 -0.06462 -0.25202 -1.55781 -0.00711 -0.32422 1.12060 0.01370 -0.02660 0.04026 -0.03254 -0.00142 0.00633 -0.00036 -7.83972 -7.72861 25.13150 -19.54726 34.11081 6.12312 6.41047 2.77283 -6.72845 -6.63450 10.46042 13.06645 0.43955 -8.09180 13.05589 0.47841 11.88532 21.31261 -0.17926 0.82464 -0.04955 0.04738 -0.06040 -0.23559 -1.45626 -0.00664 -0.30309 1.04755 0.01281 -0.02487 0.03764 -0.03042 -0.00133 0.00591 -0.00034 -7.32866 -7.22480 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 0.141649 -0.052429 0.167041 -0.020113 0.013572 -0.003376 -0.052404 -0.002973 -0.001258 -0.003930 -0.003728 -0.001492 -0.003958 0.000880 -0.000156 0.066865 0.002746 0.003242 0.000566 0.001378 0.002183 -0.001500 0.003707 0.001070 0.003634 0.003163 0.001565 0.001345 0.000224 0.000443 0.001138 0.001071 0.001409 -0.005631 0.007407 -0.159759 0.061436 -0.204140 -0.076597 -0.007203 0.006831 0.058694 0.005733 0.004154 0.007643 0.003409 0.004143 0.006960 0.000682 0.003955 -0.077680 -0.001050 -0.002169 -0.001110 -0.001845 -0.001229 0.000214 -0.003778 -0.000653 -0.000780 -0.001086 -0.000490 -0.000193 0.000497 0.002556 -0.000320 -0.000297 -0.000600 0.015039 -0.012152 0.018110 -0.009008 0.037099 0.096711 -0.006368 -0.003456 -0.006290 -0.002760 -0.002896 -0.003713 0.000320 -0.002651 -0.003002 -0.001562 -0.003798 0.010815 -0.001697 -0.001074 0.000544 0.000468 -0.000955 0.001286 0.000071 -0.000417 -0.002854 -0.002076 -0.001075 -0.001152 -0.000722 -0.002998 -0.000819 -0.000774 -0.000808 -0.009408 0.004745 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 0.140524 -0.051564 0.159200 0.079576 -0.008051 -0.003646 -0.025264 -0.001354 -0.004707 0.000242 0.001562 -0.003365 -0.001304 -0.005117 -0.005837 0.050874 0.003672 0.001233 0.000395 0.001796 -0.000232 0.003136 0.005497 -0.000254 -0.000257 0.001734 -0.001030 0.001722 0.001365 0.003982 -0.001233 -0.000825 -0.000550 -0.003470 -0.004340 0.295628 -0.101418 0.366784 0.169837 -0.010125 -0.001492 -0.085893 0.000579 0.001557 0.000159 -0.000168 -0.001416 -0.001259 -0.003274 -0.000176 0.127937 0.005418 0.003004 0.002003 0.002918 0.001239 0.000587 0.007792 0.000457 -0.000285 0.002701 -0.000451 -0.000274 0.000627 0.000940 -0.000991 -0.000117 -0.000368 0.007694 -0.007623 0.110693 -0.040700 0.135793 0.112231 0.003066 -0.001627 -0.021703 -0.002743 -0.002684 -0.000150 -0.005780 0.001520 0.003023 0.004524 -0.001613 0.041603 0.000597 -0.000037 0.000160 0.000968 -0.000369 -0.000866 0.004274 0.000230 -0.001046 0.000205 0.000026 -0.000116 0.000766 0.001040 0.000347 -0.000045 -0.000004 -0.001118 0.009228 -0.6666 0.257 0.6997 -0.0464 0.9226 -0.383 0.744 0.2877 0.6031 -0.2229 -0.2128 0.4356 -29.905 -28.552 58.457 -10.671 -10.188 20.859 -9.975 -9.524 19.499 1 C 13 0.7445 0.2911 0.6008 -0.606 -0.0827 0.7911 -0.28 0.9531 -0.1149 -0.1544 0.0729 0.0815 -20.722 9.787 10.935 -7.394 3.492 3.902 -6.912 3.265 3.648 2 C 13 -0.5791 -0.2175 0.7857 -0.3489 0.9372 0.0023 0.7369 0.2728 0.6186 -0.2708 -0.2631 0.5339 -36.341 -35.301 71.642 -12.968 -12.596 25.564 -12.122 -11.775 23.897 3 C 13 0.8058 0.0344 -0.5912 -0.243 0.9296 -0.2771 0.54 0.367 0.7574 -0.1413 -0.1309 0.2722 -5.45 -5.047 10.497 -1.945 -1.801 3.746 -1.818 -1.683 3.501 4 N 14 0.4503 0.2996 0.8411 0.14 0.9067 -0.3979 0.8818 -0.2969 -0.3664 -0.0107 -0.0098 0.0205 -5.708 -5.224 10.932 -2.037 -1.864 3.901 -1.904 -1.743 3.647 5 H 1 0.7384 0.2867 0.6104 -0.6089 -0.1056 0.7862 -0.2898 0.9522 -0.0966 -0.006 -0.0021 0.0081 -3.214 -1.111 4.325 -1.147 -0.396 1.543 -1.072 -0.371 1.443 6 H 1 0.7796 0.1788 0.6002 -0.6243 0.2972 0.7224 0.0492 0.9379 -0.3433 -0.1243 0.059 0.0653 -4.795 2.276 2.519 -1.711 0.812 0.899 -1.599 0.759 0.84 7 N 14 -0.3569 0.2147 0.9092 0.9223 0.2357 0.3063 -0.1486 0.9478 -0.2821 -0.0036 -0.0031 0.0068 -0.488 -0.42 0.907 -0.174 -0.15 0.324 -0.163 -0.14 0.303 8 C 13 0.8681 0.496 -0.019 -0.1226 0.2514 0.9601 -0.481 0.8311 -0.2791 -0.004 -0.0038 0.0078 -2.124 -2.026 4.15 -0.758 -0.723 1.481 -0.709 -0.676 1.384 9 H 1 0.8836 -0.0244 -0.4676 0.4677 0.0017 0.8839 0.0207 0.9997 -0.013 -0.004 -0.0036 0.0076 -2.145 -1.936 4.082 -0.765 -0.691 1.456 -0.716 -0.646 1.361 10 H 1 0.6503 -0.5153 -0.5581 0.7511 0.3258 0.5743 0.1141 0.7926 -0.5989 -0.0048 -0.0032 0.008 -2.573 -1.696 4.269 -0.918 -0.605 1.523 -0.858 -0.566 1.424 11 H 1 0.6953 0.1625 0.7001 -0.5785 -0.4515 0.6793 -0.4265 0.8773 0.2199 -0.0037 -0.0025 0.0062 -0.497 -0.329 0.827 -0.177 -0.118 0.295 -0.166 -0.11 0.276 12 C 13 0.7639 -0.0794 0.6405 -0.6316 -0.2959 0.7166 -0.1326 0.9519 0.2762 -0.0049 -0.0031 0.008 -2.603 -1.676 4.279 -0.929 -0.598 1.527 -0.868 -0.559 1.427 13 H 1 0.2429 0.7122 -0.6586 0.7573 0.2851 0.5875 -0.6062 0.6415 0.4701 -0.0052 -0.0036 0.0088 -2.8 -1.914 4.713 -0.999 -0.683 1.682 -0.934 -0.638 1.572 14 H 1 0.5902 0.4898 0.6417 -0.5739 -0.3045 0.7602 -0.5677 0.8169 -0.1014 -0.0052 -0.003 0.0082 -2.77 -1.611 4.381 -0.988 -0.575 1.563 -0.924 -0.537 1.461 15 H 1 -0.0324 0.9421 -0.3339 -0.6541 0.2326 0.7198 0.7557 0.2417 0.6087 -0.0942 -0.092 0.1862 -16.124 -15.753 31.877 -5.753 -5.621 11.374 -5.378 -5.255 10.633 16 B 11 -0.5989 0.3626 0.714 -0.087 0.8569 -0.5081 0.7961 0.3664 0.4816 -0.0059 -0.0018 0.0077 -3.168 -0.948 4.116 -1.13 -0.338 1.469 -1.057 -0.316 1.373 17 H 1 -0.4334 0.6133 0.6603 0.1705 0.7753 -0.6082 0.8849 0.151 0.4406 -0.0031 -0.0019 0.0049 -0.413 -0.251 0.664 -0.147 -0.089 0.237 -0.138 -0.084 0.221 18 C 13 0.672 -0.4044 -0.6204 0.2169 0.9085 -0.3572 0.7081 0.1055 0.6982 -0.0015 -0.0011 0.0026 -0.812 -0.575 1.387 -0.29 -0.205 0.495 -0.271 -0.192 0.463 19 H 1 -0.5235 0.8204 0.2301 -0.4272 -0.4864 0.7622 0.7372 0.3007 0.605 -0.0027 -0.0018 0.0045 -0.365 -0.24 0.605 -0.13 -0.085 0.216 -0.122 -0.08 0.202 20 C 13 -0.2097 0.6196 0.7564 0.2725 0.78 -0.5634 0.939 -0.088 0.3324 -0.0016 -0.001 0.0026 -0.215 -0.14 0.355 -0.077 -0.05 0.127 -0.072 -0.047 0.118 21 C 13 0.776 -0.6037 -0.1824 0.298 0.096 0.9497 0.5559 0.7914 -0.2544 -0.0041 0.0014 0.0027 0.295 -0.1 -0.195 0.105 -0.036 -0.07 0.098 -0.033 -0.065 22 O 17 -0.3671 0.917 -0.1562 -0.585 -0.0971 0.8052 0.7232 0.387 0.5721 -0.0067 -0.0061 0.0128 0.485 0.442 -0.927 0.173 0.158 -0.331 0.162 0.147 -0.309 23 O 17 0.2354 0.7747 -0.5869 -0.1391 0.6245 0.7685 0.9619 -0.0992 0.2548 -9.0E-4 -3.0E-4 0.0012 0.065 0.023 -0.088 0.023 0.008 -0.031 0.022 0.008 -0.029 24 O 17 0.0521 0.3862 0.921 0.0316 0.9211 -0.388 0.9981 -0.0493 -0.0358 -0.0033 -3.0E-4 0.0037 0.239 0.025 -0.265 0.085 0.009 -0.094 0.08 0.008 -0.088 25 O 17 -0.4272 0.249 0.8692 -0.1503 0.9284 -0.3398 0.8916 0.2758 0.3592 -0.0033 -0.0014 0.0048 -0.449 -0.193 0.642 -0.16 -0.069 0.229 -0.15 -0.065 0.214 26 C 13 0.2821 0.3724 0.8842 0.2796 0.8497 -0.447 0.9177 -0.3733 -0.1356 -0.0012 -8.0E-4 0.0021 -0.162 -0.113 0.275 -0.058 -0.04 0.098 -0.054 -0.038 0.092 27 C 13 -0.5357 0.7797 -0.3243 -0.113 0.3144 0.9426 0.8368 0.5415 -0.0803 -0.0013 -0.0012 0.0025 -0.708 -0.618 1.326 -0.253 -0.221 0.473 -0.236 -0.206 0.442 28 H 1 0.1588 -0.535 0.8298 0.7611 -0.469 -0.448 0.6289 0.7027 0.3327 -0.0011 -0.001 0.0021 -0.584 -0.526 1.11 -0.209 -0.188 0.396 -0.195 -0.175 0.37 29 H 1 -0.2313 -0.0157 0.9727 0.7628 -0.6235 0.1714 0.6039 0.7816 0.1562 -0.0032 -0.0026 0.0058 -1.728 -1.388 3.116 -0.617 -0.495 1.112 -0.576 -0.463 1.039 30 H 1 0.5015 0.3541 0.7894 0.2416 0.8188 -0.5208 0.8307 -0.4519 -0.3251 -0.0013 -9.0E-4 0.0022 -0.69 -0.482 1.172 -0.246 -0.172 0.418 -0.23 -0.161 0.391 31 H 1 0.2505 0.4574 0.8533 0.3435 0.782 -0.52 0.9051 -0.4234 -0.0388 -8.0E-4 -6.0E-4 0.0015 -0.445 -0.336 0.78 -0.159 -0.12 0.278 -0.148 -0.112 0.26 32 H 1 0.2406 0.4352 0.8676 0.1442 0.8679 -0.4754 0.9598 -0.2395 -0.146 -9.0E-4 -7.0E-4 0.0016 -0.487 -0.368 0.855 -0.174 -0.131 0.305 -0.162 -0.123 0.285 33 H 1 -0.6237 -0.0423 0.7805 0.7572 0.2155 0.6167 -0.1943 0.9756 -0.1024 -0.0155 -4.0E-4 0.0158 -8.268 -0.188 8.455 -2.95 -0.067 3.017 -2.758 -0.063 2.82 34 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT7259.900S 2024-06-28T10:21:13.000 -19.32394 -19.31468 -19.25725 -19.25135 -14.50543 -14.49258 -10.44296 -10.44120 -10.36761 -10.35651 -10.33379 -10.32898 -10.32621 -10.31343 -10.29515 -10.29250 -6.83524 -1.22239 -1.21347 -1.13632 -1.12523 -1.11994 -0.93767 -0.90223 -0.89695 -0.83672 -0.81562 -0.80440 -0.80188 -0.69331 -0.68303 -0.67288 -0.66482 -0.64981 -0.63311 -0.60990 -0.60103 -0.58047 -0.57449 -0.56930 -0.55873 -0.54780 -0.52895 -0.52114 -0.51568 -0.51410 -0.51307 -0.50835 -0.49469 -0.48137 -0.47775 -0.47407 -0.47061 -0.46243 -0.46078 -0.44937 -0.44254 -0.40900 -0.40247 -0.39374 -0.38658 -0.36736 -0.36381 -0.34977 -0.18858 0.07000 0.07369 0.07847 0.12560 0.12933 0.15181 0.15721 0.16386 0.16660 0.17920 0.18371 0.19245 0.19716 0.20230 0.21327 0.21493 0.21712 0.22282 0.22621 0.23093 0.23986 0.24598 0.25194 0.26888 0.27139 0.28761 0.30281 0.30497 0.32278 0.33005 0.33663 0.36258 0.36514 0.37294 0.39875 0.39963 0.42614 0.44963 0.45675 0.46780 0.48195 0.49031 0.50348 0.51082 0.51939 0.53253 0.53567 0.53713 0.54993 0.55565 0.56673 0.57272 0.57861 0.58718 0.60109 0.61723 0.63815 0.65582 0.67390 0.67759 0.67983 0.69009 0.71071 0.71547 0.71776 0.72251 0.72742 0.73027 0.73164 0.73386 0.73790 0.74110 0.74876 0.75223 0.75400 0.76036 0.76415 0.76620 0.77787 0.78356 0.79148 0.80076 0.80477 0.81720 0.82691 0.83417 0.84244 0.85053 0.85672 0.87342 0.87908 0.89690 0.90472 0.92816 0.93767 0.95401 0.97733 0.98972 1.01449 1.02132 1.05031 1.06870 1.08467 1.08888 1.10496 1.11798 1.13166 1.14243 1.16215 1.16484 1.19408 1.20962 1.23162 1.25331 1.25720 1.26991 1.28231 1.28611 1.29583 1.29743 1.33165 1.34175 1.36424 1.38139 1.40561 1.41233 1.43804 1.45690 1.47642 1.49110 1.52818 1.54739 1.57017 1.58269 1.58901 1.59281 1.60303 1.60592 1.61435 1.62200 1.63021 1.65260 1.65699 1.66536 1.66989 1.67800 1.71036 1.74685 1.76177 1.77371 1.78664 1.79888 1.80975 1.81871 1.82789 1.83236 1.83923 1.84668 1.85862 1.86190 1.86943 1.87603 1.88443 1.88880 1.89550 1.91052 1.91520 1.93117 1.93849 1.94133 1.94919 1.96754 1.97279 1.98147 1.99962 2.00442 2.01335 2.01714 2.03101 2.04541 2.07297 2.09102 2.09949 2.12451 2.13568 2.17222 2.17784 2.18955 2.20042 2.21528 2.23089 2.24119 2.24275 2.25366 2.28481 2.30723 2.32385 2.34402 2.36126 2.38248 2.38624 2.39118 2.41294 2.42422 2.45255 2.47337 2.48899 2.51535 2.52153 2.55117 2.56146 2.58034 2.60073 2.60732 2.63926 2.66489 2.66789 2.71604 2.71807 2.72077 2.73591 2.74022 2.75458 2.76060 2.76633 2.78220 2.80851 2.82331 2.84815 2.87591 2.89387 2.89752 2.90621 2.91730 2.94210 2.95486 2.98804 3.00228 3.00788 3.03148 3.03789 3.04888 3.06168 3.07283 3.10588 3.13422 3.13985 3.16890 3.18458 3.21521 3.26031 3.27165 3.30723 3.34183 3.42780 3.49419 3.51948 3.52441 3.56728 3.70330 3.70605 3.74813 3.78496 -19.32392 -19.31460 -19.25725 -19.25133 -14.50712 -14.49040 -10.44296 -10.44119 -10.36761 -10.35646 -10.32906 -10.32895 -10.32030 -10.31384 -10.29733 -10.29299 -6.83278 -1.22236 -1.21339 -1.13336 -1.12517 -1.11986 -0.93093 -0.90216 -0.89039 -0.83668 -0.81351 -0.80431 -0.79961 -0.69179 -0.68245 -0.66640 -0.66060 -0.64664 -0.63256 -0.60968 -0.59999 -0.57901 -0.57386 -0.56390 -0.55806 -0.54114 -0.52743 -0.51793 -0.51283 -0.51223 -0.51169 -0.50261 -0.49187 -0.48114 -0.47636 -0.47149 -0.46674 -0.46137 -0.46033 -0.44908 -0.44032 -0.40863 -0.40104 -0.39267 -0.38601 -0.36369 -0.34860 -0.33041 0.02828 0.07079 0.07782 0.09920 0.12660 0.14891 0.15229 0.15901 0.16462 0.16688 0.18002 0.18404 0.19295 0.19808 0.20241 0.21372 0.21607 0.21786 0.22467 0.22761 0.23100 0.24091 0.24699 0.25594 0.26935 0.27337 0.28941 0.30646 0.30914 0.32352 0.33459 0.34025 0.36461 0.36716 0.37415 0.40093 0.40213 0.42961 0.45152 0.46681 0.47210 0.48461 0.49268 0.50523 0.51247 0.52063 0.53351 0.53779 0.53881 0.55302 0.55879 0.56812 0.57707 0.57952 0.58884 0.60402 0.62070 0.64016 0.65806 0.67577 0.67887 0.67921 0.69234 0.71105 0.71852 0.71914 0.72319 0.72892 0.73050 0.73318 0.73476 0.73923 0.74174 0.74954 0.75289 0.75529 0.76157 0.76624 0.76688 0.77887 0.78389 0.79335 0.80274 0.80583 0.82055 0.83001 0.83602 0.84516 0.85328 0.86241 0.87580 0.88295 0.90110 0.90632 0.92958 0.94137 0.95500 0.97999 0.99140 1.01659 1.02232 1.05664 1.07073 1.08955 1.09164 1.11045 1.12001 1.13363 1.14368 1.16332 1.16905 1.19503 1.21654 1.23285 1.25600 1.25957 1.27139 1.28367 1.29174 1.29804 1.29995 1.33365 1.34256 1.36560 1.38160 1.40651 1.41365 1.44041 1.45829 1.47883 1.49642 1.52851 1.55687 1.57084 1.58276 1.59177 1.59698 1.60446 1.60737 1.62056 1.62570 1.63282 1.65383 1.65840 1.66555 1.67112 1.67893 1.71539 1.74775 1.76428 1.77782 1.78749 1.79950 1.81254 1.82064 1.83024 1.83380 1.84072 1.84807 1.86016 1.86537 1.87253 1.87836 1.88641 1.89136 1.89580 1.91275 1.91669 1.93353 1.93950 1.94305 1.95116 1.96901 1.97881 1.98739 2.00316 2.00678 2.01472 2.02116 2.03281 2.04585 2.07497 2.09136 2.10142 2.12480 2.13877 2.17478 2.18149 2.19270 2.20256 2.21575 2.23263 2.24321 2.24569 2.25718 2.28789 2.30864 2.32673 2.34784 2.36249 2.38271 2.38751 2.39350 2.41345 2.42684 2.45614 2.47472 2.49039 2.51853 2.52398 2.55310 2.56207 2.58200 2.60091 2.60779 2.64441 2.66760 2.67230 2.71711 2.71821 2.72246 2.73679 2.74230 2.75565 2.76525 2.76697 2.78235 2.80955 2.82572 2.85002 2.87595 2.89405 2.89781 2.90831 2.91761 2.94492 2.95528 2.98820 3.00315 3.00844 3.03223 3.03933 3.05043 3.06176 3.07331 3.10694 3.13442 3.14124 3.17167 3.18828 3.21870 3.26037 3.27175 3.30726 3.34190 3.42959 3.49607 3.52014 3.52481 3.56939 3.70331 3.70610 3.74814 3.78498 2-A. -1.62492033e-01 7.99518842e-01 8.06207536e-02 1.40951543e+02 -4.12107606e+00 1.73013918e+02 -1.97288447e+01 -2.15811209e+01 1.41839879e+02 -6.1319 -0.0009 -0.0005 0.0006 3.0750 7.7274 19.2578 34.2447 39.3930 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.7082 34.2372 39.3598 56.6597 77.6342 87.9403 97.4610 104.8444 115.3416 132.0924 137.4960 140.4264 173.1856 192.3199 198.0700 218.3936 220.6138 263.3777 293.4473 297.7813 308.7402 309.7081 392.5336 433.1141 457.6019 498.7487 532.1858 589.7112 597.4786 600.6594 607.1966 613.2556 682.8554 715.0540 799.1358 813.6945 838.2510 853.5960 880.5619 904.5561 923.8635 974.6071 980.5026 1000.7842 1026.5959 1041.4817 1046.8140 1094.9926 1102.1905 1154.4695 1168.4447 1183.3237 1183.8188 1190.2172 1216.0738 1218.4794 1219.0766 1286.5861 1314.0204 1337.2447 1344.1596 1366.5273 1380.0764 1405.0059 1414.5851 1433.9718 1451.6540 1453.3841 1459.2703 1467.1961 1468.3234 1469.2924 1476.7389 1478.3213 1479.9934 1486.1171 1524.4107 1543.9755 1595.3590 1889.1133 1907.6375 2583.0148 2681.1171 3030.7056 3034.3595 3070.8007 3071.2485 3103.9917 3104.8495 3112.9814 3169.4951 3173.3205 3176.4592 3176.7667 3176.9970 3206.1596 3211.9862 3274.9808 3569.8229 4.0292 4.8706 5.1445 4.5737 4.2860 3.7333 3.1087 3.4310 3.4624 1.1082 1.2204 1.3486 2.5060 3.6384 3.9174 3.3356 1.0914 2.5417 3.1652 3.2166 3.3960 2.4628 5.9586 2.8179 2.2833 1.1165 2.0903 4.0602 4.5412 4.7144 3.3428 4.0009 2.1695 3.6613 2.4962 6.6644 1.3968 1.2413 3.6741 3.2507 1.5444 1.8276 2.4230 1.4536 2.3897 1.5250 1.4581 4.2428 6.8407 1.9528 1.4531 1.3196 1.2959 1.4440 1.4825 1.5876 1.7666 1.9522 2.6045 3.5383 2.5734 2.9757 2.1226 1.3245 1.6498 1.1747 1.0517 1.0575 1.2235 1.1045 1.0532 1.1052 1.1709 1.2257 1.1100 1.1083 2.2168 4.6575 4.0359 11.9412 11.7951 1.0554 1.1341 1.0399 1.0390 1.0315 1.0313 1.1027 1.0632 1.1029 1.1019 1.1011 1.1052 1.1086 1.1081 1.1091 1.1086 1.0997 1.0780 0.0008 0.0034 0.0047 0.0087 0.0152 0.0170 0.0174 0.0222 0.0271 0.0114 0.0136 0.0157 0.0443 0.0793 0.0905 0.0937 0.0313 0.1039 0.1606 0.1681 0.1907 0.1392 0.5409 0.3114 0.2817 0.1636 0.3488 0.8319 0.9551 1.0021 0.7261 0.8865 0.5960 1.1030 0.9392 2.5998 0.5783 0.5329 1.6785 1.5671 0.7766 1.0228 1.3725 0.8578 1.4839 0.9746 0.9414 2.9972 4.8963 1.5335 1.1688 1.0886 1.0700 1.2053 1.2917 1.3887 1.5469 1.9039 2.6496 3.7279 2.7394 3.2740 2.3820 1.5405 1.9451 1.4232 1.3058 1.3161 1.5351 1.4009 1.3379 1.4057 1.5045 1.5783 1.4325 1.4421 3.0352 6.5415 6.0521 25.1082 25.2896 4.1489 4.8033 5.6275 5.6361 5.7308 5.7317 6.2595 6.0389 6.2972 6.5216 6.5330 6.5704 6.5914 6.5899 6.7174 6.7384 6.9495 8.0941 0.7506 0.4327 1.6793 1.8927 0.6579 0.6190 0.7644 0.5307 0.6007 0.1711 0.5232 1.9818 0.7789 8.1766 2.7005 8.2712 0.1323 0.4428 9.8642 5.5553 13.7760 3.0969 3.7724 5.5017 1.8172 4.1310 72.5006 16.6236 19.0563 42.4928 21.0595 2.7976 58.7681 7.4695 8.0581 14.0044 6.0274 19.5093 10.4300 15.6780 5.3175 29.4822 13.8607 8.0025 3.0035 1.1613 8.7406 36.8318 29.3676 2.6487 2.8277 10.7043 2.3244 86.9001 3.9200 13.4981 14.3366 107.1423 1.4075 184.2546 14.9083 204.7112 31.0232 15.2881 34.9788 12.3937 3.3517 15.1071 30.3688 4.2052 10.0307 8.5935 20.4488 43.9303 12.6655 3.4706 3.2610 10.2640 2.3865 330.9212 229.7537 88.4562 103.3451 86.1592 18.4438 32.6237 23.7250 14.1807 13.2061 6.5531 5.9608 5.5989 14.6705 7.6974 1.1312 6.7475 5.3299 1.5703 242.9808 -0.06 0.00 0.08 -0.03 0.07 -0.00 0.04 0.02 -0.06 -0.01 -0.09 0.06 -0.02 -0.14 0.09 -0.06 0.14 -0.01 0.06 -0.08 -0.02 -0.15 0.01 0.15 -0.16 -0.04 0.20 -0.16 -0.01 0.18 -0.19 0.09 0.15 0.09 0.05 -0.15 0.11 0.03 -0.16 0.06 0.12 -0.18 0.14 0.02 -0.19 0.13 -0.16 -0.04 0.03 -0.05 0.00 0.03 -0.04 -0.00 0.05 -0.07 -0.01 -0.01 -0.03 0.05 0.02 0.01 -0.06 -0.04 -0.07 0.08 -0.02 0.04 0.07 0.04 0.04 -0.10 0.00 0.03 -0.06 -0.06 0.06 0.12 -0.01 0.10 -0.13 -0.05 0.12 0.13 -0.10 0.03 0.15 -0.06 0.04 0.11 -0.03 0.13 -0.13 0.04 0.09 -0.18 -0.04 0.14 -0.12 0.19 -0.14 -0.11 0.13 -0.23 0.01 0.09 0.12 0.03 0.05 0.11 0.00 -0.02 0.08 -0.06 0.04 0.11 -0.01 0.04 0.13 -0.03 0.08 0.11 0.02 -0.03 0.08 -0.06 0.19 0.16 0.09 0.21 0.23 0.05 0.20 0.10 0.14 0.24 0.18 0.12 -0.06 0.06 -0.08 -0.08 0.09 -0.11 -0.05 0.07 -0.07 -0.09 0.03 -0.08 -0.10 0.07 -0.11 0.08 -0.15 0.12 0.06 -0.09 0.05 0.12 -0.06 0.04 -0.05 -0.11 0.04 0.06 -0.06 0.01 -0.09 -0.16 0.04 -0.08 -0.07 0.02 0.07 -0.03 -0.03 0.03 -0.07 0.03 -0.17 -0.08 0.02 0.02 -0.06 0.00 -0.19 -0.03 0.01 -0.21 -0.06 0.01 -0.19 -0.15 0.03 -0.01 -0.09 0.03 0.05 -0.04 -0.00 -0.01 -0.05 -0.04 -0.17 0.04 -0.17 -0.08 0.07 -0.10 -0.02 -0.02 -0.06 0.02 0.00 -0.03 0.06 0.01 0.00 -0.01 -0.01 -0.06 -0.02 -0.04 -0.05 0.03 0.00 -0.02 0.03 0.00 -0.02 -0.07 -0.03 -0.10 -0.08 -0.08 -0.12 -0.10 -0.00 -0.11 -0.07 -0.04 -0.10 0.11 0.03 0.04 0.14 -0.00 0.06 0.12 0.04 0.05 0.11 0.08 0.06 0.04 0.00 -0.02 -0.01 -0.01 -0.08 -0.02 -0.00 -0.03 -0.05 -0.05 -0.02 -0.01 0.02 0.05 0.01 0.05 -0.03 0.09 0.04 0.17 -0.14 0.01 -0.06 0.06 0.25 -0.12 -0.01 -0.17 0.09 -0.12 0.04 0.02 -0.01 -0.22 0.12 -0.24 0.02 -0.10 0.06 -0.01 0.02 -0.17 0.14 0.18 -0.04 -0.44 0.24 0.13 -0.06 0.24 -0.12 -0.19 -0.08 0.07 0.01 0.01 0.01 -0.01 -0.04 -0.03 0.00 0.01 -0.09 -0.03 -0.02 -0.09 -0.02 -0.01 0.01 0.03 0.05 0.02 0.04 0.06 -0.14 -0.06 -0.06 -0.02 0.02 0.04 0.01 0.01 0.02 0.01 0.05 0.08 0.07 -0.00 -0.00 -0.04 -0.01 -0.01 -0.16 -0.04 -0.05 -0.20 -0.01 -0.01 -0.21 -0.07 -0.09 -0.11 -0.07 -0.08 0.03 0.05 0.10 0.07 -0.00 0.03 0.06 0.01 -0.03 0.12 0.04 -0.04 0.02 0.01 -0.04 0.05 0.02 -0.06 -0.12 -0.07 -0.13 0.16 0.09 0.10 0.08 0.10 -0.14 -0.01 -0.09 0.02 0.13 0.10 0.11 -0.06 -0.18 0.03 0.29 0.19 0.27 -0.11 0.10 0.17 0.20 0.00 -0.09 -0.11 -0.30 0.11 -0.01 -0.10 0.10 -0.09 -0.20 -0.12 0.01 0.04 0.09 0.10 0.08 0.14 0.10 -0.02 -0.00 0.14 -0.00 0.03 0.08 -0.02 -0.01 0.01 -0.05 -0.07 -0.00 -0.04 -0.10 0.21 0.02 0.09 0.02 -0.05 -0.06 0.19 0.02 0.06 0.21 0.08 0.00 0.19 -0.04 0.11 0.26 0.04 0.09 0.09 -0.02 -0.01 0.10 -0.01 -0.06 0.14 -0.00 0.03 0.05 -0.04 0.01 0.00 -0.06 -0.08 -0.08 0.09 -0.02 -0.06 0.05 -0.03 -0.04 0.02 -0.03 -0.02 0.07 0.02 -0.10 -0.01 -0.03 -0.02 0.06 0.03 0.01 0.11 0.05 -0.11 -0.11 -0.01 -0.12 0.02 -0.04 0.01 0.13 0.11 -0.18 -0.13 0.02 0.07 0.19 0.17 -0.08 0.10 0.16 0.04 0.12 0.03 -0.19 -0.06 -0.01 -0.33 -0.21 0.05 -0.05 -0.26 0.05 0.04 -0.05 -0.06 -0.04 -0.08 -0.11 0.00 -0.00 -0.01 -0.10 -0.05 -0.08 -0.10 -0.05 -0.08 0.04 0.01 0.03 0.06 0.05 0.07 -0.15 -0.07 -0.12 -0.01 -0.01 -0.01 0.11 0.03 0.07 0.12 0.16 0.21 0.29 -0.04 0.04 0.01 0.01 0.01 -0.16 -0.07 -0.12 -0.20 -0.05 -0.00 -0.27 -0.10 -0.21 -0.05 -0.05 -0.18 0.05 0.02 0.05 -0.01 0.06 0.01 0.01 0.01 0.03 0.01 -0.04 0.03 0.08 0.03 0.07 -0.02 -0.00 -0.00 0.20 0.10 0.16 -0.02 -0.04 -0.02 -0.01 -0.01 -0.04 -0.06 0.00 0.01 0.04 -0.03 -0.02 -0.09 0.03 -0.05 -0.13 -0.14 -0.19 0.33 -0.05 -0.07 -0.03 0.10 0.21 -0.14 0.03 -0.02 -0.05 0.03 -0.08 -0.13 0.05 -0.09 0.01 0.01 0.02 0.14 0.05 0.12 0.02 -0.01 -0.02 0.05 0.00 0.01 0.03 -0.00 -0.00 -0.03 -0.02 -0.05 -0.03 -0.02 -0.05 0.10 0.02 0.05 -0.01 -0.01 -0.04 0.07 0.01 -0.00 0.08 0.03 -0.07 0.03 -0.02 0.04 0.13 0.02 0.03 0.05 0.00 0.02 0.07 -0.00 -0.03 0.09 0.02 0.05 0.01 0.00 0.04 -0.03 -0.02 -0.05 -0.06 -0.02 0.07 -0.06 -0.02 0.07 -0.05 -0.01 0.07 -0.02 -0.03 0.03 -0.05 0.02 0.04 -0.02 0.01 -0.04 0.05 -0.09 0.06 -0.01 0.16 -0.06 -0.10 -0.05 0.09 0.14 -0.11 0.00 -0.09 0.15 -0.05 0.27 -0.15 0.12 0.03 -0.09 0.01 0.21 -0.12 -0.16 -0.15 -0.07 0.08 0.25 0.34 -0.08 -0.36 0.34 -0.27 -0.01 -0.01 -0.04 -0.06 -0.03 -0.08 -0.02 0.01 0.03 -0.01 0.02 0.03 -0.04 0.01 0.01 -0.06 -0.00 -0.00 -0.08 -0.03 -0.08 0.02 0.03 0.06 -0.05 -0.00 -0.01 0.07 0.05 0.11 0.09 0.14 0.14 0.13 -0.02 0.15 0.07 0.08 0.12 -0.02 0.01 0.01 -0.01 0.00 0.02 -0.02 0.02 0.02 -0.02 0.03 0.02 -0.04 -0.00 0.00 -0.15 -0.04 -0.30 -0.15 -0.07 -0.15 -0.29 -0.17 -0.11 -0.03 -0.02 -0.04 -0.06 -0.02 -0.07 0.04 0.01 0.03 -0.02 -0.02 -0.03 -0.08 0.07 0.03 0.08 -0.07 -0.09 0.13 0.04 0.10 0.21 -0.01 0.01 0.14 0.04 0.11 0.22 -0.07 0.18 0.15 0.20 0.13 0.33 -0.09 -0.02 0.25 0.06 0.09 0.17 0.06 0.06 -0.01 0.01 0.02 -0.05 -0.01 -0.01 0.04 0.01 0.01 0.01 -0.00 -0.01 0.07 0.02 0.03 0.10 0.04 0.06 0.10 0.02 0.08 -0.03 -0.02 -0.05 0.13 0.04 0.08 0.06 0.01 0.02 0.05 0.09 0.24 0.28 0.01 -0.09 -0.13 -0.05 -0.10 0.05 0.01 0.02 0.03 0.01 0.09 -0.01 -0.01 -0.02 0.10 0.02 -0.00 0.21 0.07 0.15 -0.07 -0.04 0.02 -0.08 -0.02 -0.03 -0.05 0.02 -0.04 -0.10 -0.03 -0.06 -0.07 -0.01 -0.02 -0.12 -0.03 -0.09 -0.08 -0.04 -0.05 -0.07 0.01 -0.02 -0.05 -0.03 -0.02 -0.03 -0.03 -0.02 -0.04 0.01 -0.03 -0.23 -0.14 -0.23 0.31 -0.07 -0.08 -0.11 0.14 0.25 -0.04 -0.05 -0.01 0.03 0.06 -0.03 -0.10 0.05 -0.08 0.22 0.07 0.17 0.27 0.09 0.20 -0.02 -0.01 -0.02 -0.03 -0.01 -0.02 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.02 -0.04 -0.02 -0.03 0.01 0.00 0.01 0.02 0.01 0.02 -0.00 0.14 0.42 0.40 -0.01 -0.16 -0.32 -0.10 -0.19 0.03 0.01 0.03 0.05 -0.01 0.03 0.04 0.02 0.04 0.03 0.04 0.04 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.01 -0.02 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.03 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.01 -0.03 0.00 -0.00 -0.00 0.23 0.10 0.22 -0.41 0.01 0.04 0.08 -0.17 -0.37 0.01 0.02 -0.02 -0.02 -0.02 -0.01 0.02 -0.01 0.02 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.01 0.03 0.07 0.07 -0.01 -0.02 -0.04 -0.01 -0.03 0.01 0.00 0.01 0.02 -0.00 0.00 0.02 0.01 0.02 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.02 0.02 -0.01 -0.01 0.02 0.00 -0.01 0.02 -0.01 -0.01 0.01 0.00 0.02 -0.00 -0.02 -0.01 -0.01 0.01 -0.03 0.02 0.02 0.08 -0.04 -0.01 -0.01 0.02 0.04 -0.03 0.00 -0.01 -0.00 0.01 -0.02 -0.09 -0.06 0.15 -0.03 -0.03 0.01 0.02 0.08 0.07 0.48 -0.25 -0.39 -0.36 -0.17 0.29 -0.13 0.46 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.03 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.02 -0.03 -0.04 -0.02 -0.03 0.01 0.01 0.01 -0.04 -0.01 -0.03 0.00 0.00 0.01 -0.02 0.12 0.38 0.35 -0.01 -0.15 -0.31 -0.09 -0.17 0.03 0.01 0.03 0.06 -0.01 -0.00 0.07 0.02 0.06 -0.00 0.02 0.05 -0.06 -0.02 -0.05 0.03 0.01 0.02 0.03 0.01 0.01 0.04 0.02 0.01 0.02 0.00 0.00 0.03 0.00 0.01 -0.03 -0.02 -0.03 0.04 0.02 0.03 0.02 -0.02 0.01 0.01 0.02 0.01 0.01 0.02 0.03 -0.00 0.00 0.01 -0.25 -0.08 -0.23 0.37 0.02 -0.06 -0.11 0.13 0.37 -0.03 -0.11 0.08 0.09 0.09 0.05 -0.07 0.02 -0.12 -0.04 -0.02 -0.04 -0.10 -0.04 -0.08 0.09 0.03 0.06 0.12 0.04 0.09 0.09 0.03 0.07 0.08 0.03 0.06 0.08 0.04 0.05 0.12 0.04 0.09 0.05 0.02 0.03 -0.10 -0.04 -0.08 -0.15 -0.16 0.16 0.03 0.11 -0.29 -0.35 -0.15 -0.24 -0.12 -0.04 -0.11 -0.23 0.14 -0.31 -0.05 -0.02 -0.05 -0.26 -0.30 -0.13 -0.08 -0.01 -0.07 -0.02 -0.01 0.02 -0.02 -0.01 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.02 0.00 -0.01 0.02 0.02 0.02 -0.04 -0.03 -0.02 -0.02 0.01 -0.01 -0.01 0.01 -0.02 0.06 -0.00 0.04 -0.01 -0.01 -0.00 0.08 -0.01 0.06 0.10 -0.05 0.08 0.08 0.09 0.03 -0.00 -0.03 0.00 -0.01 -0.01 0.02 0.00 -0.02 -0.01 -0.10 -0.02 -0.07 -0.17 -0.03 -0.14 0.01 0.00 0.01 0.00 0.00 -0.00 0.02 0.00 0.01 0.04 0.02 0.03 0.03 0.00 -0.00 -0.01 -0.00 -0.01 0.03 0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.03 -0.02 -0.04 0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 0.02 -0.07 0.04 0.02 0.03 -0.05 -0.04 0.01 -0.00 0.00 -0.00 -0.10 0.03 -0.16 -0.08 -0.03 -0.03 -0.14 -0.21 -0.01 0.02 0.02 0.11 -0.06 0.04 -0.08 -0.02 0.02 0.05 0.15 0.02 0.21 -0.07 0.06 -0.05 0.01 0.09 -0.14 -0.07 -0.14 -0.14 0.05 -0.07 0.04 -0.20 -0.28 -0.28 -0.03 0.12 -0.39 -0.15 -0.38 -0.04 0.10 -0.23 0.07 -0.00 0.02 0.22 0.09 -0.15 -0.05 -0.07 -0.02 -0.04 0.02 0.02 0.02 -0.01 -0.01 -0.01 -0.02 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.01 -0.02 0.00 0.02 0.02 -0.02 -0.01 -0.02 -0.02 -0.01 -0.02 0.00 0.01 0.03 0.00 0.01 0.01 -0.01 -0.02 0.06 0.03 0.04 0.05 0.03 0.01 0.03 0.05 -0.05 0.13 -0.02 -0.01 -0.01 0.10 0.09 0.02 0.00 -0.01 0.00 0.09 -0.11 0.13 0.04 0.00 0.06 0.12 0.05 0.03 -0.09 -0.04 0.02 0.06 0.11 -0.03 -0.05 -0.01 0.03 -0.14 -0.12 -0.05 0.05 0.02 -0.02 0.06 0.27 -0.10 0.15 -0.08 0.04 -0.05 -0.10 0.06 0.26 -0.15 0.14 0.19 -0.17 0.12 0.24 0.14 -0.08 -0.13 -0.31 0.20 -0.15 0.00 0.31 0.04 -0.31 -0.19 0.04 0.01 0.03 -0.00 -0.01 -0.01 0.02 -0.00 0.01 -0.15 -0.06 -0.12 -0.03 -0.02 -0.03 0.22 0.07 0.16 0.25 0.14 0.29 -0.29 -0.11 -0.24 0.06 0.02 0.04 -0.01 -0.01 0.01 -0.01 -0.05 -0.09 -0.11 -0.01 0.06 0.07 0.03 0.06 0.10 0.02 0.08 0.20 -0.08 0.06 0.18 0.04 0.15 0.04 0.14 0.15 -0.16 -0.05 -0.15 -0.03 0.01 0.02 -0.02 0.00 -0.01 -0.00 0.02 -0.02 -0.01 0.00 -0.02 -0.02 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.01 -0.02 -0.00 0.04 0.03 0.04 -0.02 -0.01 -0.03 0.00 0.02 0.01 0.11 -0.01 0.06 0.02 0.09 0.10 -0.03 0.02 -0.03 -0.01 -0.02 -0.05 -0.02 0.01 -0.01 -0.32 -0.10 -0.29 -0.17 -0.06 -0.15 0.03 0.01 0.02 0.03 0.01 0.02 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.00 0.04 0.02 0.03 -0.00 0.00 -0.01 -0.02 -0.00 -0.01 -0.03 -0.04 0.02 -0.00 0.04 -0.05 -0.06 -0.02 -0.04 -0.01 -0.00 0.02 -0.09 -0.08 0.58 -0.43 -0.16 -0.34 0.46 0.22 -0.16 -0.02 -0.03 -0.04 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -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 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.02 -0.01 -0.04 -0.06 -0.06 -0.06 0.08 -0.00 -0.05 0.08 -0.01 -0.07 0.03 -0.03 -0.06 0.06 -0.02 -0.10 0.09 0.04 -0.04 0.10 -0.03 -0.05 0.03 0.00 -0.07 -0.15 0.03 0.18 -0.20 -0.16 0.33 -0.23 -0.06 0.30 -0.28 0.33 0.18 -0.05 -0.08 0.10 -0.09 -0.04 0.14 0.01 -0.25 0.15 -0.14 -0.01 0.18 -0.01 0.12 -0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.03 -0.02 0.00 -0.01 -0.12 0.10 0.13 0.03 0.28 -0.06 -0.11 -0.04 -0.08 -0.03 -0.01 -0.02 0.12 0.04 0.10 -0.02 -0.01 -0.02 -0.01 -0.04 0.06 -0.05 -0.02 -0.04 0.09 0.03 0.07 0.02 0.01 0.03 0.05 0.13 -0.03 0.03 -0.12 0.15 0.13 0.08 0.10 -0.04 -0.01 -0.02 -0.16 0.11 0.01 -0.13 -0.06 -0.10 0.02 -0.14 -0.10 -0.03 -0.00 -0.03 -0.06 -0.05 -0.32 -0.07 -0.06 -0.07 -0.32 -0.14 -0.00 0.05 -0.05 -0.04 0.05 0.03 0.05 0.07 -0.02 -0.06 0.06 -0.04 -0.02 0.03 0.10 0.13 0.06 0.08 0.02 -0.08 -0.01 0.06 -0.13 -0.04 -0.08 -0.12 0.13 0.04 -0.13 -0.04 0.11 -0.12 -0.08 0.12 -0.29 0.01 -0.01 -0.16 -0.11 -0.14 -0.08 -0.15 -0.20 0.06 0.02 0.05 -0.21 -0.05 -0.17 -0.15 -0.06 -0.13 -0.05 -0.02 -0.05 0.16 0.05 0.12 -0.03 -0.01 -0.04 -0.03 -0.09 0.02 -0.09 -0.03 -0.08 0.12 0.04 0.08 0.02 0.02 0.05 0.06 0.19 -0.02 0.04 -0.17 0.23 0.15 0.13 0.14 -0.05 -0.02 -0.00 -0.21 0.13 0.05 -0.16 -0.11 -0.10 0.00 -0.18 -0.09 -0.04 -0.01 -0.05 0.06 0.03 0.21 0.06 0.05 0.04 0.22 0.09 0.00 -0.04 0.05 0.04 -0.01 -0.02 -0.03 -0.06 0.01 0.06 -0.06 0.04 0.02 0.00 -0.08 -0.08 -0.03 -0.05 -0.01 0.07 0.01 -0.06 0.08 0.03 0.05 0.10 -0.12 -0.04 0.12 0.04 -0.11 0.10 0.07 -0.12 0.18 -0.01 0.00 0.11 0.07 0.08 0.05 0.10 0.13 0.10 0.03 0.06 -0.30 -0.09 -0.27 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 0.02 -0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.02 -0.02 -0.02 -0.03 -0.02 0.02 -0.00 0.02 -0.00 -0.01 0.02 -0.00 -0.00 0.03 -0.01 -0.04 0.05 0.00 0.03 0.03 0.04 0.00 -0.06 0.05 -0.01 -0.04 -0.01 0.06 -0.10 0.11 -0.02 -0.10 -0.05 0.06 0.03 -0.01 0.03 0.27 0.02 -0.00 0.09 0.20 0.09 0.04 0.07 -0.06 -0.04 -0.09 -0.00 -0.02 0.11 0.03 -0.13 0.07 -0.09 -0.05 -0.05 0.01 -0.12 -0.09 0.07 -0.04 -0.13 -0.02 0.15 0.06 0.05 0.15 -0.17 0.23 0.13 -0.22 -0.13 0.27 -0.18 -0.10 0.24 0.23 -0.06 0.10 0.03 0.14 0.32 0.08 0.07 0.22 -0.09 0.05 0.11 -0.07 0.13 -0.03 -0.01 0.04 -0.00 -0.00 0.04 -0.02 -0.00 0.04 -0.02 -0.01 0.03 0.01 -0.02 -0.00 -0.02 -0.01 0.06 -0.03 0.01 0.03 -0.03 0.01 0.04 -0.03 0.01 0.05 -0.04 0.01 0.05 -0.05 0.02 0.01 -0.03 -0.14 -0.03 0.17 -0.22 0.06 0.14 -0.00 -0.24 0.30 -0.35 -0.00 0.30 0.16 -0.16 -0.11 -0.00 0.01 0.05 0.00 -0.00 0.02 0.04 0.01 0.01 0.02 -0.02 -0.01 -0.02 0.00 -0.00 0.03 0.01 -0.03 0.02 -0.02 -0.01 -0.01 0.00 -0.02 -0.02 0.02 -0.01 -0.03 -0.01 0.04 0.01 0.01 0.03 -0.04 0.06 0.03 -0.06 -0.03 0.07 -0.05 -0.03 0.06 0.05 -0.02 0.03 0.00 0.03 0.07 0.02 0.01 0.04 0.28 -0.13 -0.32 0.16 -0.39 0.03 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.02 -0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.01 0.04 -0.01 0.33 0.03 0.07 0.08 0.29 0.07 0.02 -0.11 0.10 0.10 0.05 0.00 -0.06 -0.02 0.36 -0.14 -0.05 -0.11 0.11 0.01 -0.03 0.04 0.13 -0.13 -0.06 -0.08 -0.12 0.15 0.07 -0.12 -0.20 -0.09 -0.06 0.15 -0.13 -0.14 0.18 -0.09 -0.14 0.17 -0.06 -0.03 -0.17 0.10 -0.18 -0.33 0.05 -0.12 -0.26 0.01 0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.04 0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.63 0.07 0.04 0.09 0.58 0.27 -0.04 0.04 -0.04 -0.03 -0.10 -0.02 -0.03 0.03 -0.11 0.05 0.03 0.02 -0.03 -0.14 0.14 0.14 0.02 -0.03 -0.08 0.02 0.03 -0.03 0.02 -0.06 -0.10 0.01 0.04 -0.04 0.02 0.03 -0.03 0.01 0.02 -0.03 -0.01 -0.05 -0.09 -0.00 -0.08 -0.11 0.03 -0.08 -0.12 0.03 0.01 0.04 -0.02 0.00 -0.02 -0.10 0.02 0.10 -0.03 0.13 -0.00 0.08 0.02 -0.11 -0.01 -0.12 0.06 0.02 -0.16 0.25 -0.08 0.34 -0.01 0.08 -0.09 -0.07 0.03 0.01 -0.05 0.08 0.14 -0.18 0.10 0.09 -0.16 0.13 -0.25 -0.05 -0.02 -0.04 0.04 -0.11 0.03 0.15 0.02 -0.29 0.08 -0.12 0.06 0.14 -0.03 0.07 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.26 0.02 0.29 0.02 0.40 -0.15 0.05 0.03 0.04 -0.03 -0.01 -0.02 -0.03 -0.01 -0.02 0.01 -0.01 -0.01 0.05 0.08 0.11 -0.07 -0.03 -0.06 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.05 -0.00 -0.02 0.07 -0.04 -0.02 -0.01 -0.02 -0.00 0.01 0.00 0.03 -0.02 -0.03 0.05 0.02 0.05 -0.04 0.03 0.03 0.01 -0.01 0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 -0.00 -0.02 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 0.53 0.15 0.46 -0.50 -0.16 -0.40 -0.11 -0.03 -0.11 0.07 0.02 0.06 0.00 0.03 0.04 0.13 -0.02 0.00 0.35 0.36 0.71 0.17 0.02 0.13 -0.13 -0.05 -0.08 -0.02 0.02 -0.02 0.01 0.15 -0.03 0.05 -0.09 0.06 0.04 0.06 0.02 -0.01 0.04 0.01 -0.04 0.07 -0.00 -0.04 0.06 -0.02 0.00 -0.00 -0.02 -0.00 -0.04 0.04 -0.03 0.01 0.01 -0.02 -0.01 0.00 -0.03 -0.00 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 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 0.02 0.01 0.00 0.01 0.12 -0.00 0.12 0.10 -0.01 0.13 0.09 -0.11 0.06 0.02 0.02 -0.12 -0.02 0.16 0.01 -0.01 -0.10 -0.08 0.07 0.09 0.13 -0.04 -0.00 -0.15 0.02 0.01 0.01 0.06 -0.27 0.07 0.04 -0.35 0.09 0.03 -0.23 0.05 0.04 -0.29 0.06 -0.13 0.30 0.03 -0.18 0.35 0.05 -0.13 0.26 0.03 -0.16 0.30 0.05 -0.01 -0.01 0.01 -0.03 -0.00 0.03 -0.01 -0.02 0.03 -0.02 -0.02 0.03 0.01 -0.00 0.01 -0.01 -0.03 0.02 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.02 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.02 -0.02 0.01 0.03 -0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.14 -0.05 -0.02 0.06 0.09 0.02 -0.08 -0.11 -0.01 0.02 0.01 0.00 0.07 0.03 -0.00 0.04 0.13 0.18 -0.13 -0.09 -0.39 -0.02 0.10 -0.02 -0.13 0.02 -0.15 0.01 -0.18 0.05 0.03 -0.08 0.06 0.05 -0.28 0.12 0.05 -0.15 0.08 0.01 0.01 0.00 -0.05 0.06 0.00 -0.00 -0.04 -0.01 -0.01 -0.04 -0.01 0.06 0.10 -0.09 0.13 0.08 -0.18 0.10 0.14 -0.15 0.10 0.07 -0.15 0.01 0.03 -0.01 0.04 0.16 -0.11 -0.03 -0.05 0.05 0.03 -0.07 -0.00 -0.04 -0.02 0.07 -0.05 -0.05 0.02 -0.01 -0.10 0.06 -0.03 0.03 0.03 -0.04 -0.00 0.04 -0.04 -0.14 0.10 -0.03 -0.13 0.09 0.03 0.04 -0.01 0.01 0.03 0.00 -0.06 0.08 0.08 0.32 0.18 0.15 0.01 0.08 -0.14 -0.06 -0.07 0.01 0.00 0.00 0.02 0.07 -0.01 -0.00 0.00 0.13 0.16 -0.17 -0.12 -0.43 -0.04 0.09 -0.01 -0.10 0.02 -0.12 0.01 -0.11 0.03 0.02 -0.04 0.04 0.03 -0.19 0.09 0.03 -0.09 0.05 0.03 -0.06 -0.00 -0.01 -0.01 -0.01 0.02 -0.08 -0.01 0.03 -0.10 -0.02 0.06 0.10 -0.09 -0.15 -0.08 0.19 -0.10 -0.17 0.20 -0.12 -0.12 0.21 0.01 -0.03 0.03 -0.05 -0.19 0.14 0.03 0.06 -0.07 -0.05 0.08 0.00 0.05 0.04 -0.07 0.06 0.06 -0.03 0.01 0.12 -0.07 0.02 -0.03 -0.04 0.05 0.00 -0.05 0.04 0.16 -0.12 0.04 0.16 -0.13 -0.04 -0.05 0.01 -0.02 -0.04 -0.02 0.07 -0.11 -0.12 0.25 0.16 0.06 0.02 0.06 -0.11 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.02 0.03 0.01 0.03 0.02 0.00 0.01 -0.00 0.01 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.00 0.00 0.01 0.00 0.00 0.02 0.01 -0.00 -0.00 0.00 -0.07 0.42 -0.46 0.08 0.05 0.09 -0.27 -0.49 0.20 0.26 0.11 0.23 -0.04 -0.00 -0.01 -0.10 -0.06 -0.09 -0.08 -0.04 -0.09 -0.05 0.02 0.01 -0.01 -0.02 -0.04 0.00 0.00 0.00 0.02 -0.02 -0.03 0.05 0.03 0.05 0.03 -0.10 0.09 0.03 0.13 -0.02 0.04 -0.03 -0.04 0.02 -0.02 -0.02 0.02 -0.02 -0.02 -0.03 -0.01 -0.02 -0.02 -0.01 -0.01 0.15 0.09 0.10 -0.17 -0.05 -0.13 0.25 0.07 0.20 -0.02 -0.03 -0.03 0.02 0.11 -0.03 -0.38 -0.14 -0.30 -0.17 -0.08 -0.13 0.01 0.08 -0.01 -0.02 -0.08 -0.02 -0.07 0.24 -0.12 -0.05 0.02 -0.05 0.04 -0.02 0.02 -0.18 0.22 -0.00 -0.09 -0.08 -0.09 0.07 -0.32 -0.10 -0.02 -0.03 0.04 0.00 0.03 -0.04 0.01 0.01 0.00 -0.02 -0.04 0.01 0.02 0.01 0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.03 0.06 0.27 0.07 0.26 -0.01 0.00 0.10 -0.06 -0.02 0.06 0.00 -0.04 0.02 -0.08 -0.02 -0.09 0.15 0.32 0.68 -0.10 0.08 0.04 0.01 0.13 -0.02 0.01 -0.08 0.05 0.01 -0.11 -0.01 0.01 0.01 -0.04 0.03 -0.21 0.03 0.04 -0.09 -0.00 0.09 -0.13 -0.06 0.02 0.02 -0.02 0.10 -0.13 -0.05 0.06 0.12 -0.12 -0.02 0.02 0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.15 0.14 -0.36 0.08 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.04 -0.05 -0.11 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.24 0.40 0.05 -0.15 0.23 0.05 -0.32 0.45 0.09 -0.00 0.08 -0.08 -0.08 -0.02 0.14 -0.05 -0.08 0.11 0.09 -0.06 -0.06 0.01 -0.05 -0.15 0.13 0.03 0.05 0.00 -0.06 0.03 0.07 -0.05 -0.07 -0.06 0.13 -0.01 -0.06 -0.14 0.11 -0.05 -0.13 0.12 -0.15 0.02 0.03 0.06 -0.12 -0.18 0.08 -0.12 -0.21 -0.01 -0.01 0.03 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.04 0.15 -0.11 0.06 0.04 -0.09 -0.02 0.08 -0.04 0.03 0.26 0.03 -0.07 0.43 -0.17 -0.06 0.03 0.08 0.02 -0.10 0.02 0.01 -0.11 0.04 0.02 -0.13 0.05 0.02 -0.09 0.03 0.07 -0.11 -0.04 0.00 -0.07 0.05 0.11 -0.34 0.01 -0.02 -0.05 0.04 -0.10 -0.06 0.17 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.04 -0.11 -0.20 -0.46 0.34 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.04 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.32 0.05 -0.13 -0.08 0.21 -0.03 -0.26 0.20 0.00 -0.14 0.04 -0.02 0.48 -0.16 0.08 -0.05 -0.06 0.01 0.01 -0.01 -0.14 -0.15 -0.08 0.14 -0.05 0.16 0.00 0.13 -0.06 0.05 -0.03 -0.02 0.02 0.04 -0.05 0.03 0.15 -0.09 0.02 0.14 -0.10 -0.25 0.15 0.08 0.12 -0.16 -0.28 -0.00 -0.04 -0.17 -0.03 -0.01 -0.02 -0.03 -0.01 -0.02 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.08 0.05 0.06 0.04 0.02 0.04 0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.02 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.14 -0.05 -0.11 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.51 0.14 0.44 0.52 0.16 0.42 0.01 0.00 0.01 -0.11 -0.03 -0.09 0.01 0.00 0.01 0.01 0.01 0.01 0.01 -0.01 -0.00 0.72 0.28 0.58 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.09 -0.00 -0.04 0.07 -0.03 -0.04 -0.03 -0.02 0.01 0.00 0.01 -0.04 0.06 -0.01 -0.03 -0.02 -0.03 0.00 -0.07 -0.02 0.01 0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 -0.03 -0.06 -0.03 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.02 0.03 0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.13 0.20 0.23 0.01 0.00 -0.21 0.43 0.07 -0.32 0.12 -0.02 0.05 -0.09 -0.09 -0.01 0.05 -0.03 -0.09 -0.13 0.06 0.09 -0.08 -0.00 -0.08 0.19 0.05 0.12 -0.02 -0.07 0.05 -0.04 0.06 0.09 0.06 -0.33 0.10 0.06 0.03 -0.07 0.05 0.03 -0.09 -0.36 0.18 0.23 -0.04 -0.06 -0.09 -0.03 -0.04 -0.12 0.00 0.01 -0.03 -0.03 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.06 0.22 -0.33 0.05 0.16 0.06 -0.45 0.30 0.18 -0.00 -0.13 -0.10 0.00 0.04 0.06 0.14 -0.07 -0.09 -0.14 0.10 0.14 0.01 0.00 0.01 -0.09 -0.01 -0.04 -0.02 -0.06 0.06 0.06 -0.05 -0.07 0.07 -0.46 0.12 0.09 0.10 -0.12 0.07 0.04 -0.13 0.16 -0.09 -0.12 0.05 -0.01 -0.01 0.05 -0.02 -0.01 0.02 0.01 -0.03 -0.01 -0.03 0.02 0.02 0.01 -0.02 -0.01 0.02 0.00 -0.01 0.01 0.01 -0.07 0.11 -0.01 -0.01 0.22 0.18 -0.04 0.10 -0.01 -0.00 0.02 0.01 0.03 -0.04 -0.02 -0.01 -0.17 0.11 -0.05 -0.10 0.08 -0.06 0.15 -0.02 0.01 -0.04 0.00 0.05 -0.08 -0.04 -0.01 0.04 -0.01 0.06 -0.07 -0.03 0.07 -0.14 -0.02 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.41 -0.27 0.48 0.11 0.41 -0.33 0.01 0.02 -0.01 -0.04 0.12 -0.00 -0.05 -0.02 0.07 0.09 -0.04 -0.06 0.04 -0.10 -0.25 -0.13 0.40 -0.05 0.01 -0.01 -0.02 -0.01 -0.03 -0.01 0.01 0.04 0.01 0.06 -0.12 0.04 0.05 -0.04 0.02 -0.05 -0.05 0.09 0.17 -0.20 -0.21 -0.15 0.50 -0.02 0.26 -0.23 -0.15 0.00 -0.01 0.00 0.15 -0.07 -0.21 0.09 0.00 0.02 -0.07 -0.12 0.06 -0.05 -0.01 -0.03 -0.04 -0.03 0.02 -0.00 0.02 0.02 0.02 -0.00 -0.00 -0.05 0.01 -0.02 0.03 0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.03 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.07 0.03 0.04 -0.00 -0.03 -0.04 0.01 -0.02 -0.05 0.03 -0.00 -0.03 -0.00 0.03 -0.03 -0.01 -0.01 0.01 0.01 -0.06 0.01 0.03 0.01 -0.04 -0.04 0.03 0.02 -0.01 0.08 0.15 0.05 -0.23 0.03 -0.01 0.01 0.01 0.01 0.01 0.01 -0.00 -0.05 -0.00 -0.03 0.07 -0.02 -0.03 0.01 -0.01 0.03 0.03 -0.06 -0.11 0.13 0.13 0.10 -0.32 0.01 -0.16 0.14 0.09 0.00 -0.00 -0.00 0.33 -0.14 -0.47 0.22 -0.01 0.04 -0.16 -0.32 0.14 -0.11 -0.01 -0.08 -0.09 -0.05 0.03 -0.01 0.04 0.03 0.03 -0.00 -0.00 -0.11 0.03 -0.04 0.06 0.02 0.04 0.01 -0.00 -0.00 0.02 0.01 0.02 -0.02 0.06 -0.02 -0.02 -0.02 0.02 -0.01 -0.03 0.03 -0.17 0.08 0.10 0.00 -0.07 -0.08 0.02 -0.05 -0.11 -0.04 -0.02 0.04 0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.07 0.03 0.08 0.00 -0.02 0.01 -0.00 -0.03 0.01 -0.00 -0.11 0.09 -0.14 0.20 0.06 0.02 -0.04 -0.02 0.10 -0.02 -0.11 -0.03 -0.37 0.32 -0.17 -0.23 0.23 -0.19 0.61 -0.11 0.00 0.02 -0.02 -0.04 0.05 0.06 0.03 -0.08 0.01 -0.07 0.07 0.04 -0.01 0.04 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.08 -0.15 -0.02 -0.08 0.07 0.02 0.08 0.02 -0.15 0.02 0.17 -0.03 -0.02 0.03 0.11 0.05 -0.15 0.09 0.08 -0.34 -0.11 -0.04 0.21 0.02 -0.01 -0.02 -0.07 -0.08 0.01 0.01 0.30 -0.02 0.21 -0.34 0.10 0.19 -0.20 0.12 0.06 0.03 -0.06 -0.16 0.18 0.17 0.10 -0.40 -0.01 -0.21 0.10 0.11 0.01 -0.04 0.01 -0.01 -0.00 0.02 -0.01 0.00 -0.00 0.01 0.03 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.05 -0.06 0.08 0.01 0.03 -0.03 0.07 0.00 0.06 0.04 -0.01 -0.05 -0.05 -0.01 -0.06 -0.05 -0.02 0.04 -0.02 0.03 0.14 0.08 -0.02 -0.03 -0.00 0.01 0.02 -0.08 -0.01 -0.09 0.00 0.45 0.08 0.19 -0.43 0.17 0.14 0.25 0.08 0.06 0.02 0.06 -0.18 0.33 -0.10 -0.16 -0.02 -0.13 0.04 -0.42 -0.08 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.02 -0.02 -0.00 0.01 -0.01 0.05 0.01 0.05 0.00 -0.02 -0.04 0.08 0.03 0.05 -0.03 -0.01 0.02 -0.01 0.03 0.07 0.12 0.02 0.05 -0.01 0.00 -0.00 -0.06 -0.01 -0.06 0.00 0.35 0.04 0.15 -0.31 0.12 0.12 0.15 0.07 -0.10 -0.03 -0.07 0.27 -0.46 0.08 0.18 0.12 0.17 0.01 0.51 0.07 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 0.00 -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 0.03 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.24 0.63 -0.08 0.01 0.13 0.07 -0.25 0.04 0.14 -0.08 -0.11 -0.00 0.05 -0.08 -0.13 0.03 -0.00 -0.00 0.02 -0.15 0.08 0.02 0.01 0.02 0.17 -0.11 -0.14 -0.02 0.18 -0.06 -0.19 0.12 0.14 0.02 0.01 -0.03 0.03 0.18 -0.08 -0.00 0.14 -0.10 -0.05 0.06 0.09 -0.15 0.13 0.14 -0.14 0.08 0.16 -0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.03 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.00 0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.02 0.00 0.01 0.00 0.01 0.01 0.02 0.00 0.00 -0.00 0.00 -0.17 0.14 0.03 -0.06 -0.09 0.21 -0.10 -0.31 0.23 0.00 0.12 -0.16 0.05 0.02 -0.13 -0.00 -0.02 0.03 -0.01 0.33 -0.12 0.01 -0.01 0.03 0.14 -0.11 -0.11 0.03 -0.35 0.11 -0.16 0.10 0.12 -0.03 -0.08 0.08 -0.03 -0.33 0.13 0.02 -0.24 0.17 -0.01 0.04 0.05 -0.12 0.12 0.12 -0.12 0.07 0.15 -0.02 -0.01 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.03 0.01 0.10 -0.06 -0.10 0.09 0.09 0.04 -0.11 0.02 0.02 -0.10 -0.10 0.09 -0.15 -0.04 -0.09 0.03 0.09 0.01 -0.00 -0.01 0.00 -0.05 0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.02 0.06 -0.05 -0.05 0.02 -0.07 0.10 0.13 -0.39 0.02 -0.07 -0.06 0.02 0.02 -0.03 -0.01 0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.28 0.06 -0.36 0.09 0.58 -0.34 0.02 -0.10 0.01 0.03 -0.09 0.00 0.01 -0.08 0.02 0.01 0.01 -0.02 0.02 0.15 -0.10 -0.22 0.82 -0.09 -0.04 0.01 0.05 -0.02 0.06 0.00 0.00 0.15 -0.09 0.01 0.14 -0.08 -0.02 0.06 -0.00 0.00 0.06 -0.03 -0.08 0.12 0.08 0.01 -0.04 -0.01 -0.12 0.11 0.06 0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.09 0.01 -0.12 0.04 0.22 -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 -0.01 -0.00 -0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.09 0.17 0.01 -0.00 -0.00 0.00 0.05 -0.11 -0.01 -0.02 -0.02 -0.01 0.00 -0.01 -0.02 0.00 0.00 0.00 0.04 0.02 0.03 0.01 0.00 0.00 -0.01 0.05 -0.00 -0.07 -0.03 -0.07 0.01 -0.09 0.04 0.17 0.07 0.17 0.16 -0.39 0.20 0.01 0.49 -0.05 0.01 0.19 -0.09 0.33 -0.08 -0.26 -0.29 0.26 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 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.08 0.00 -0.00 0.00 -0.01 -0.02 0.07 -0.01 0.01 0.00 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 0.03 0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.05 0.02 -0.07 -0.03 -0.06 0.01 0.09 -0.05 0.16 0.05 0.16 0.16 -0.35 0.18 0.01 0.45 -0.06 -0.02 -0.22 0.11 -0.38 0.09 0.29 0.34 -0.30 -0.16 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.35 0.67 0.03 0.01 -0.01 0.01 0.22 -0.48 -0.02 -0.07 -0.04 -0.04 0.02 -0.02 -0.07 0.01 0.01 0.01 0.00 0.01 -0.00 0.03 -0.00 0.02 -0.06 0.03 0.08 0.02 -0.00 0.01 0.07 0.01 -0.05 -0.04 0.04 -0.05 -0.05 0.05 -0.02 -0.01 -0.09 0.03 -0.09 -0.04 0.08 -0.12 -0.02 0.07 0.16 -0.12 -0.12 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.02 0.00 0.00 -0.03 0.00 -0.01 0.03 -0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.00 0.01 0.01 0.01 0.00 -0.01 -0.15 0.27 0.02 0.00 -0.05 0.05 0.01 -0.01 -0.02 0.02 -0.00 -0.02 -0.06 0.03 0.05 0.01 0.00 0.01 -0.04 -0.01 -0.03 0.09 -0.03 -0.09 0.05 0.02 0.05 -0.06 0.56 -0.19 -0.25 -0.24 0.20 -0.10 -0.12 0.34 -0.24 0.13 0.18 -0.02 -0.16 -0.15 0.01 -0.05 -0.22 -0.06 -0.01 0.08 -0.00 -0.06 0.03 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.02 0.02 -0.05 0.01 0.00 -0.11 -0.03 -0.02 0.08 -0.01 -0.02 0.07 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.04 -0.01 0.02 -0.01 -0.02 0.00 -0.01 0.04 0.03 -0.08 -0.01 -0.03 -0.01 0.01 0.02 0.01 -0.03 -0.00 0.04 -0.03 0.01 0.01 -0.01 0.08 -0.09 -0.03 -0.01 -0.03 0.01 -0.02 0.01 0.03 0.01 -0.00 -0.01 -0.03 0.01 0.03 -0.02 -0.00 -0.02 0.07 0.02 0.06 0.04 -0.01 -0.04 -0.08 -0.04 -0.09 -0.03 0.27 -0.09 -0.12 -0.11 0.09 -0.05 -0.06 0.16 0.41 -0.23 -0.30 0.04 0.27 0.27 -0.01 0.09 0.38 -0.19 -0.04 0.25 -0.00 -0.21 0.08 0.01 -0.03 -0.00 0.01 -0.00 -0.01 -0.04 0.02 0.05 0.04 -0.11 0.02 0.01 -0.20 -0.04 -0.03 0.15 -0.02 -0.05 0.14 -0.01 0.00 0.02 -0.01 0.00 0.03 -0.00 -0.01 0.03 -0.01 -0.02 0.07 -0.01 0.03 -0.01 -0.03 0.00 -0.02 0.07 0.05 -0.15 -0.01 -0.06 -0.02 0.02 0.04 0.03 -0.06 0.01 -0.05 0.00 -0.01 -0.01 0.01 -0.01 0.03 0.01 0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.03 -0.01 -0.03 0.01 0.00 0.01 -0.03 -0.01 -0.03 -0.04 0.01 0.04 0.04 0.02 0.04 0.03 -0.25 0.09 0.11 0.12 -0.10 0.05 0.05 -0.16 -0.18 0.10 0.13 -0.01 -0.13 -0.13 0.01 -0.05 -0.18 -0.36 -0.08 0.49 -0.01 -0.40 0.16 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.09 0.19 0.02 0.06 -0.09 0.01 -0.48 0.74 0.11 -0.01 -0.05 0.08 0.03 -0.06 -0.16 -0.03 0.03 0.01 0.04 0.03 -0.06 -0.04 0.01 0.01 0.01 0.05 0.10 -0.01 -0.03 0.03 0.02 -0.03 -0.05 -0.01 -0.03 0.03 0.06 0.08 -0.09 0.05 0.05 -0.09 -0.02 -0.01 -0.03 -0.01 0.09 0.14 -0.00 0.06 0.14 0.01 -0.01 -0.01 -0.00 0.02 -0.01 0.11 0.07 -0.14 0.03 0.04 -0.06 -0.12 -0.05 0.18 -0.08 0.08 0.05 -0.11 -0.42 0.47 -0.05 0.30 -0.11 0.07 -0.13 -0.05 -0.04 -0.00 0.04 -0.04 -0.13 -0.10 0.21 -0.10 -0.00 0.13 -0.31 0.06 0.03 0.02 -0.05 -0.02 -0.01 0.20 0.05 -0.13 -0.02 -0.19 -0.04 0.06 0.01 0.06 -0.03 0.01 -0.01 0.04 0.00 0.00 -0.00 -0.05 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.02 0.06 0.01 -0.01 -0.19 0.09 -0.01 -0.01 0.01 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.14 0.05 0.00 0.00 0.00 0.02 0.06 -0.06 -0.00 0.01 -0.00 -0.01 -0.03 0.00 0.02 -0.02 0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.04 0.04 -0.01 -0.00 0.04 -0.01 -0.00 0.06 0.03 -0.03 -0.05 0.05 0.25 -0.43 0.20 -0.07 0.24 -0.03 -0.03 -0.48 -0.00 -0.10 -0.20 0.21 0.00 -0.09 -0.02 0.02 0.00 -0.03 0.06 0.09 -0.11 0.02 0.01 0.00 0.00 0.01 -0.00 0.00 -0.09 0.04 0.01 0.00 -0.00 -0.08 0.23 -0.03 0.03 0.19 -0.21 0.11 0.18 -0.13 -0.07 0.01 0.04 -0.05 -0.00 0.04 -0.02 0.04 0.02 0.07 -0.03 -0.06 -0.02 0.11 -0.01 0.01 0.05 -0.01 0.01 -0.08 0.02 0.02 -0.01 -0.02 0.01 -0.00 0.02 -0.09 -0.71 0.28 -0.05 0.12 -0.00 0.03 0.19 -0.15 -0.01 -0.01 0.01 -0.01 -0.04 0.02 0.04 -0.03 0.00 0.05 -0.05 0.03 0.01 -0.02 -0.00 -0.08 0.09 -0.01 -0.01 0.11 -0.02 -0.01 0.11 0.05 -0.09 -0.14 0.16 -0.06 0.11 -0.06 0.02 -0.06 0.00 0.04 0.10 -0.01 0.02 0.04 -0.04 -0.00 0.03 0.03 -0.00 0.00 0.01 -0.01 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.02 -0.01 -0.01 0.00 0.00 0.02 -0.05 0.01 -0.02 -0.03 0.03 -0.02 -0.03 0.03 0.04 -0.01 -0.02 0.02 -0.00 -0.02 0.01 -0.03 -0.03 0.19 -0.09 -0.18 -0.06 0.30 -0.04 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 0.06 -0.01 0.01 -0.01 0.00 0.01 -0.02 0.00 0.00 -0.01 0.00 0.02 0.06 -0.03 -0.02 0.04 -0.03 -0.04 0.06 -0.00 0.00 -0.01 -0.00 -0.02 0.02 -0.02 0.01 0.00 0.00 0.02 0.04 0.01 0.00 0.01 -0.01 -0.25 0.56 -0.16 0.08 -0.11 -0.07 0.19 0.29 -0.12 -0.08 -0.12 0.12 -0.03 0.15 0.22 -0.02 0.05 -0.00 0.05 0.05 -0.08 -0.00 -0.02 -0.03 0.01 -0.05 -0.09 -0.01 -0.06 0.03 -0.05 0.03 0.04 -0.06 0.16 -0.01 0.07 0.12 -0.14 0.09 0.12 -0.13 0.24 -0.09 -0.09 0.05 -0.09 -0.21 0.03 -0.12 -0.16 0.00 0.01 -0.00 0.00 -0.01 0.01 0.04 0.12 -0.10 -0.02 -0.02 0.03 0.10 -0.05 -0.11 0.00 -0.06 0.02 -0.01 -0.15 0.06 -0.04 0.08 0.02 -0.11 0.01 0.13 -0.02 0.05 -0.00 -0.10 -0.40 0.05 0.19 -0.31 0.22 0.16 -0.43 -0.01 -0.01 -0.03 0.02 -0.19 0.22 -0.16 -0.06 0.25 -0.02 0.09 0.29 0.07 0.04 0.02 -0.05 -0.01 0.03 0.08 0.01 -0.00 -0.01 -0.08 -0.02 0.01 -0.01 -0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.02 -0.00 -0.00 0.01 -0.01 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 0.01 0.05 0.04 0.03 -0.06 -0.01 -0.01 0.01 0.01 0.05 -0.03 -0.03 -0.03 0.04 -0.00 -0.00 0.00 0.01 0.08 -0.03 0.05 -0.09 -0.02 0.01 -0.01 -0.00 0.01 -0.05 0.01 0.05 0.18 -0.02 -0.08 0.14 -0.11 -0.06 0.18 0.02 0.06 -0.12 -0.03 -0.41 0.36 0.07 -0.04 0.50 -0.11 -0.14 0.43 0.27 0.00 0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.00 0.02 -0.02 0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 0.01 0.00 -0.02 0.00 -0.06 -0.07 0.10 0.03 0.01 -0.05 -0.03 -0.02 0.05 0.01 0.01 -0.01 0.03 0.23 -0.14 0.06 -0.08 -0.05 0.04 0.02 -0.05 0.01 0.15 -0.06 -0.11 -0.34 0.17 -0.03 -0.34 0.40 0.08 -0.46 -0.15 0.03 -0.01 -0.03 -0.05 0.01 0.18 -0.01 0.13 -0.05 -0.17 -0.02 0.09 -0.01 -0.01 0.02 -0.01 0.02 -0.21 -0.02 -0.01 0.02 0.18 0.09 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.01 -0.00 0.02 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.02 -0.01 -0.02 0.02 0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 0.08 -0.06 0.01 -0.02 0.00 0.02 0.01 -0.02 0.01 0.02 -0.00 0.01 0.00 -0.06 -0.04 -0.08 0.11 -0.10 -0.08 -0.08 0.01 -0.00 -0.01 -0.00 -0.01 0.05 -0.01 0.03 -0.02 -0.06 -0.02 0.02 -0.01 -0.01 0.01 -0.04 0.04 0.67 0.07 -0.01 -0.07 -0.56 -0.27 0.11 0.01 0.01 -0.02 0.00 0.03 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 0.02 -0.08 0.01 -0.01 -0.05 0.05 -0.03 -0.05 0.03 0.13 -0.06 -0.04 0.04 -0.04 -0.10 0.03 -0.07 -0.07 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.03 0.00 -0.01 0.02 0.01 0.01 0.00 -0.01 0.01 0.01 0.02 0.04 0.03 -0.25 0.03 -0.11 0.11 -0.24 -0.03 -0.12 -0.03 -0.02 -0.02 -0.29 0.20 0.21 0.47 0.07 0.41 0.42 -0.07 -0.28 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.00 0.00 0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 0.02 -0.00 0.01 -0.01 -0.01 0.00 0.02 -0.03 0.02 0.01 -0.00 0.01 0.02 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.03 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.02 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.03 -0.00 -0.04 -0.11 -0.15 0.50 0.03 0.22 -0.25 0.55 0.06 0.28 -0.01 -0.00 -0.02 -0.13 0.07 0.19 0.22 0.08 0.19 0.13 -0.09 -0.12 0.00 0.00 -0.00 -0.01 0.01 0.09 0.01 -0.00 -0.01 -0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.06 -0.05 -0.01 0.01 -0.03 -0.06 0.01 -0.02 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.07 -0.01 -0.03 0.02 0.03 -0.01 0.03 0.00 -0.02 -0.02 0.03 0.01 0.24 -0.10 -0.01 -0.04 0.05 0.03 0.02 -0.04 -0.05 0.04 0.02 -0.08 -0.43 -0.33 0.61 -0.08 -0.22 0.09 0.29 0.14 0.01 -0.02 0.01 -0.00 0.04 -0.16 -0.05 -0.07 -0.04 0.05 0.12 0.03 -0.01 -0.01 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.06 -0.02 -0.07 -0.00 0.02 -0.00 0.04 0.03 0.01 -0.01 0.00 0.02 -0.00 -0.02 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.00 0.02 -0.00 0.02 -0.01 -0.01 0.02 0.00 0.04 -0.04 -0.03 -0.00 -0.02 0.01 0.00 0.03 -0.02 0.02 -0.06 0.01 -0.01 0.02 0.01 -0.01 -0.01 0.01 0.00 -0.08 -0.15 0.16 -0.02 -0.06 -0.04 0.12 0.02 0.00 0.03 -0.02 0.04 -0.15 0.43 0.01 0.28 -0.01 -0.28 -0.30 0.03 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.01 -0.00 -0.01 0.01 0.20 0.27 0.22 0.35 0.07 -0.17 -0.08 -0.23 0.05 0.02 0.18 -0.09 0.02 0.08 0.12 -0.02 -0.04 -0.12 0.01 -0.01 -0.00 0.00 0.03 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.07 -0.04 0.01 0.01 0.04 -0.03 0.01 -0.00 -0.01 0.01 -0.02 0.05 -0.13 -0.00 -0.09 0.00 0.09 0.10 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.04 0.02 -0.04 -0.03 -0.04 -0.07 0.01 0.01 0.02 0.07 -0.00 0.05 0.61 -0.31 0.09 0.29 0.41 -0.03 -0.18 -0.40 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.01 0.01 -0.01 -0.00 -0.03 0.04 0.03 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.05 -0.01 0.02 -0.01 -0.02 0.00 0.02 -0.01 -0.01 0.02 0.09 -0.07 0.01 0.03 0.04 -0.07 -0.01 -0.00 -0.02 0.02 -0.02 0.12 -0.36 -0.03 -0.23 -0.01 0.21 0.25 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.03 0.00 -0.00 0.00 -0.02 -0.02 0.01 0.00 0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.01 0.00 0.00 -0.00 0.28 0.36 0.31 0.42 0.13 -0.26 -0.11 -0.24 0.11 -0.02 -0.05 0.03 -0.00 -0.02 -0.03 0.00 0.02 0.04 -0.00 0.01 -0.00 -0.00 -0.02 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.02 -0.02 -0.02 -0.00 0.01 -0.03 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.10 -0.01 0.02 0.01 0.07 0.04 -0.01 -0.01 -0.04 0.03 0.01 -0.02 -0.02 -0.01 0.01 0.00 0.02 0.02 -0.04 -0.01 0.00 -0.00 0.00 0.01 0.02 0.00 0.04 -0.05 -0.01 0.02 0.03 0.35 -0.44 0.25 -0.16 -0.04 0.08 -0.24 -0.15 0.48 0.33 -0.07 -0.14 -0.10 -0.13 -0.12 -0.08 -0.04 -0.26 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.04 0.01 -0.01 0.01 -0.04 0.01 -0.02 -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 0.02 -0.06 -0.05 -0.02 0.01 0.02 0.02 0.02 0.01 0.01 0.04 -0.03 0.02 -0.04 -0.05 0.01 -0.01 -0.00 -0.01 -0.02 0.03 -0.01 0.00 -0.00 0.00 0.02 0.05 -0.00 -0.03 0.03 -0.02 0.03 0.05 -0.19 0.29 -0.13 0.06 0.09 -0.10 0.14 0.16 -0.24 0.56 -0.16 -0.23 -0.13 -0.23 -0.25 -0.11 -0.09 -0.41 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.02 -0.03 0.04 -0.01 0.02 -0.01 -0.04 -0.04 0.00 0.00 0.00 -0.00 -0.01 0.00 0.05 0.01 -0.01 -0.00 -0.04 -0.02 0.01 0.01 0.04 -0.03 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 -0.03 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.07 -0.00 -0.00 -0.00 -0.01 0.14 0.11 0.14 -0.38 0.45 -0.36 -0.03 0.55 0.36 -0.06 -0.01 0.03 0.05 0.03 -0.01 0.04 -0.02 0.07 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.02 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 -0.06 -0.01 0.01 0.01 0.04 0.02 -0.00 -0.00 -0.01 0.01 0.01 -0.03 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.07 0.02 0.02 0.01 -0.01 0.00 0.03 -0.03 0.02 -0.01 -0.04 -0.01 0.02 -0.02 -0.00 0.60 0.19 -0.30 0.48 -0.49 0.09 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.11 0.02 -0.17 -0.05 -0.02 0.07 -0.01 0.06 -0.02 -0.08 -0.11 0.13 0.02 0.68 -0.21 -0.09 0.13 0.09 0.07 0.04 -0.07 -0.00 -0.01 0.00 0.01 0.23 0.24 -0.30 0.10 0.06 0.10 -0.30 -0.00 0.01 -0.02 -0.00 0.02 -0.05 0.07 -0.01 0.06 -0.02 -0.06 -0.06 0.02 -0.03 -0.02 0.04 0.01 -0.02 -0.06 -0.00 0.00 0.01 0.04 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -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 -0.02 0.02 0.01 -0.01 0.01 -0.03 -0.03 0.03 -0.01 -0.04 -0.03 0.01 0.03 -0.02 0.00 0.04 0.02 -0.24 0.08 -0.08 0.44 -0.09 0.04 0.04 -0.06 -0.00 -0.27 0.06 -0.16 0.36 0.04 0.00 -0.12 0.04 -0.01 0.02 -0.00 -0.03 -0.09 -0.03 0.07 -0.07 0.05 -0.00 -0.01 -0.01 0.06 -0.16 -0.01 -0.01 -0.16 0.29 -0.04 0.41 -0.12 -0.22 -0.23 0.12 0.00 0.03 -0.02 0.01 -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 -0.01 0.01 -0.01 0.00 0.02 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.05 -0.02 0.00 -0.06 0.02 -0.20 0.36 0.06 0.15 -0.18 -0.10 -0.05 -0.04 0.09 0.01 -0.08 0.03 0.06 0.51 -0.36 0.05 0.30 -0.19 0.04 0.00 -0.03 0.03 -0.11 0.01 0.02 -0.22 -0.10 0.17 -0.12 -0.03 -0.08 0.23 0.04 0.00 0.02 -0.01 0.01 0.03 -0.06 0.02 -0.15 0.02 0.04 0.06 -0.02 -0.00 -0.00 0.01 -0.00 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.04 0.02 -0.00 -0.00 -0.00 -0.02 -0.03 -0.00 0.00 0.00 -0.00 -0.01 0.06 -0.02 0.05 -0.07 -0.01 -0.08 0.14 0.02 -0.49 0.50 0.32 -0.21 0.01 -0.06 0.31 -0.32 -0.20 0.04 -0.02 -0.04 0.13 -0.01 0.04 0.01 0.00 0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.04 -0.17 0.02 -0.04 -0.05 0.11 -0.07 -0.07 0.06 0.04 -0.02 -0.02 -0.00 -0.01 -0.03 -0.00 -0.02 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.11 0.11 0.03 -0.06 0.01 0.01 0.16 -0.07 -0.02 -0.14 0.16 0.08 0.73 -0.09 0.19 0.09 -0.10 -0.06 0.01 -0.01 -0.01 -0.46 0.04 -0.14 -0.04 0.00 -0.02 -0.00 0.01 -0.00 0.02 -0.01 -0.01 0.02 -0.05 0.01 -0.01 -0.02 0.03 -0.02 -0.02 0.02 -0.14 0.06 0.06 0.01 0.03 0.10 0.01 0.07 0.08 -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 -0.03 -0.03 0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.18 0.61 -0.01 0.49 -0.32 -0.49 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.06 -0.09 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.21 0.74 -0.02 -0.41 0.25 0.41 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.05 0.00 0.65 -0.12 0.08 -0.22 -0.37 -0.41 -0.17 -0.06 0.31 -0.00 0.01 -0.00 -0.12 -0.11 -0.03 0.07 0.00 -0.08 0.09 -0.05 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 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.18 0.03 -0.02 0.06 0.10 0.11 0.05 0.02 -0.09 -0.01 0.05 -0.01 -0.43 -0.38 -0.12 0.25 0.00 -0.29 0.31 -0.19 0.55 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.04 -0.01 -0.02 0.01 0.01 -0.29 -0.02 0.30 -0.11 -0.39 -0.42 0.51 -0.08 0.21 -0.10 -0.07 -0.16 0.11 -0.19 0.13 0.17 0.17 -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 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.03 -0.02 -0.02 -0.13 -0.01 0.14 -0.05 -0.18 -0.19 0.23 -0.04 0.10 0.22 0.15 0.35 -0.25 0.42 -0.28 -0.38 -0.38 0.16 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.08 -0.03 -0.04 0.65 -0.13 0.07 0.25 0.47 0.51 0.01 0.00 -0.05 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 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.00 -0.00 -0.01 -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 0.71 0.37 0.07 -0.05 -0.03 0.04 -0.15 -0.03 -0.57 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.07 -0.02 -0.06 0.52 0.49 0.14 -0.04 -0.00 0.03 0.31 -0.20 0.56 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.06 0.02 -0.07 -0.21 -0.20 -0.07 -0.60 0.01 0.69 0.13 -0.07 0.21 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.05 -0.00 -0.08 -0.23 0.04 -0.04 0.10 0.17 0.18 -0.43 -0.18 0.81 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -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 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.47 0.25 0.04 -0.05 -0.02 -0.06 0.18 0.03 0.71 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.01 0.03 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.05 -0.19 -0.21 -0.27 0.05 -0.10 0.00 0.00 -0.00 0.03 -0.05 0.04 -0.05 -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 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.07 0.04 0.01 -0.01 -0.00 -0.01 0.03 0.00 0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.08 0.05 -0.00 -0.00 0.00 0.01 0.04 0.04 0.05 -0.01 0.02 -0.00 -0.01 0.00 -0.31 0.51 -0.35 0.48 0.47 -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 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.21 0.11 0.02 -0.02 -0.01 -0.03 0.08 0.01 0.31 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.06 -0.03 -0.06 0.00 0.01 -0.01 -0.03 -0.00 0.01 0.12 0.42 0.46 0.59 -0.10 0.23 -0.00 0.00 -0.00 0.04 -0.07 0.05 -0.06 -0.06 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.02 -0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.43 0.31 0.69 0.14 -0.26 0.17 0.22 0.23 -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.07 -0.02 -0.06 -0.00 0.00 -0.00 -0.61 -0.05 0.64 0.07 0.20 0.22 -0.30 0.05 -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 0.06 0.01 -0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.61 -0.08 0.79 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 0.02 0.02 0.96 -0.20 -0.18 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 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 7 1 1 7 6 1 1 1 6 1 1 1 5 1 6 1 6 6 8 8 8 8 6 6 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 6 6 6 7 1 1 7 6 1 1 1 6 1 1 1 5 1 6 1 6 6 8 8 8 8 6 6 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 14.00307 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 11.00931 1.00783 12.00000 1.00783 12.00000 12.00000 15.99491 15.99491 15.99491 15.99491 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 241.13596 3321.97265 4230.74056 5855.21860 0.99937 -0.01836 -0.03023 0.01781 0.99968 -0.01808 0.03056 0.01753 0.99938 asymmetric 1 0.02607 0.02047 0.01479 0.54327 0.42658 0.30823 750153.0 26.92 49.26 56.63 81.52 111.70 126.53 140.22 150.85 165.95 190.05 197.83 202.04 249.18 276.71 284.98 314.22 317.41 378.94 422.21 428.44 444.21 445.60 564.77 623.15 658.39 717.59 765.70 848.46 859.64 864.21 873.62 882.34 982.48 1028.80 1149.78 1170.72 1206.06 1228.13 1266.93 1301.45 1329.23 1402.24 1410.72 1439.91 1477.04 1498.46 1506.13 1575.45 1585.81 1661.02 1681.13 1702.54 1703.25 1712.46 1749.66 1753.12 1753.98 1851.11 1890.58 1924.00 1933.95 1966.13 1985.62 2021.49 2035.27 2063.17 2088.61 2091.10 2099.56 2110.97 2112.59 2113.98 2124.70 2126.97 2129.38 2138.19 2193.29 2221.44 2295.37 2718.01 2744.66 3716.38 3857.53 4360.51 4365.77 4418.20 4418.84 4465.95 4467.19 4478.89 4560.20 4565.70 4570.22 4570.66 4570.99 4612.95 4621.33 4711.97 5136.18 0.285718 0.305943 0.306887 0.234611 -825.996093 -825.975868 -825.974923 -826.047200 191.982 70.976 152.118 0.000 0.000 1.377 0.889 2.981 42.342 0.889 2.981 32.776 190.205 65.015 75.623 1 0.593 1.986 6.767 2 0.594 1.983 5.567 3 0.594 1.981 5.291 4 0.596 1.975 4.570 5 0.599 1.964 3.950 6 0.601 1.958 3.705 7 0.603 1.951 3.504 8 0.605 1.945 3.362 9 0.608 1.937 3.177 10 0.612 1.921 2.915 11 0.614 1.916 2.838 12 0.615 1.913 2.798 13 0.627 1.875 2.401 14 0.634 1.851 2.205 15 0.637 1.843 2.151 16 0.646 1.813 1.972 17 0.647 1.810 1.954 18 0.670 1.740 1.639 19 0.688 1.686 1.454 20 0.691 1.678 1.429 21 0.698 1.657 1.369 22 0.699 1.655 1.364 23 0.760 1.486 0.991 24 0.794 1.398 0.849 25 0.816 1.344 0.773 26 0.854 1.253 0.661 27 0.887 1.179 0.582 28 0.947 1.054 0.468 29 0.955 1.037 0.454 30 0.959 1.030 0.449 31 0.966 1.017 0.437 32 0.973 1.004 0.427 0.321802e+24 23.507589 54.128225 0.336658e+09 8.527189 19.634579 0.200000e+01 0.301030 0.693147 0.147179e+09 8.167847 18.807162 0.324731e+07 6.511523 14.993337 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4130 2.0322 0.2049 2.0838 -105.2550 -92.3802 -104.7246 2.7143 -10.8311 -1.4921 -4.4684 8.4064 -3.9380 2.7143 -10.8311 -1.4921 2.3908 5.9996 -25.6694 -29.3394 -9.9390 8.9460 -19.7924 13.8277 11.4018 -12.0065 -2628.0883 -1839.2708 -804.3532 -7.8719 -141.5381 45.6728 -4.3233 -33.4538 31.7720 -684.0802 -532.9400 -460.3038 25.7920 -35.8298 8.1006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -826.2818107 0.778905 0. 0.750493 3.751E-9 9.613E-6 0.2857182 0.305943 -825.9758676 -825.9749235 -826.0471996 0.4169895,2.8126581,-3.2296476,5.2587633,-7.3771899,2.8544311 C01 [X(C10H18B1N2O4)] 0.1773944 0.7893109 0.1328656 -0.0190009 -0.0049832 -0.180506 -0.0587568 -0.187271 0.1771358 -0.073008 0.4267027 0.0516616 -0.0374967 0.1443704 -0.1722032 0.2093462 0.3479895 -0.2258421 -0.1483983 -0.0748904 -0.0229285 -0.2600106 -0.3049715 0.284334 0.0690701 0.1515861 -0.0821927 0.2738536 0.4577802 -0.3160023 -0.2684717 0.1361924 0.0648888 -0.2922478 -0.6609616 0.223029 -0.1443422 -0.7861971 -0.1825671 0.4119846 -0.1302948 0.0987671 -0.1315893 0.2958421 0.0238417 0.1441717 0.1714393 0.1986307 0.0743022 -0.004314 0.0794349 0.0105636 0.1166676 -0.0140055 0.0873141 -0.0089504 0.0421853 0.1136506 0.2904457 -0.2876991 0.173112 -0.0240325 -0.1303167 -0.2462559 -0.2706011 0.1492826 0.1056765 -0.0101124 0.041735 0.0625434 0.198825 -0.0190355 0.012885 -0.0997189 0.0916522 -0.0370484 0.1289887 -0.0279175 0.0155915 -0.1114531 0.0535567 0.0021523 0.0359836 0.0587013 0.0053713 -0.1060758 -0.0332789 -0.1015338 -0.1098668 0.0215212 -0.1026122 -0.0952512 -0.005884 0.0300426 -0.032378 0.0659731 0.0041964 0.0349309 -0.0213368 0.090988 0.0464224 -0.0354206 0.0839459 -0.0548031 -0.022124 -0.0131999 0.0854649 -0.0084809 0.0236443 -0.001827 0.0890112 -0.0096568 -0.0995983 -0.0347767 -0.0108576 -0.0032104 -0.04903 0.0166969 -0.0056645 0.0504541 0.0114478 0.0571296 0.0864099 0.0057139 0.04598 -0.0090156 0.0888859 -0.0653273 -0.0134774 0.0465902 0.0231978 -0.0144071 0.0525988 -0.0564837 -0.0052349 -0.057536 0.1293277 -0.0489827 0.0336884 -0.1091872 -0.0569703 -0.0789754 0.3224786 0.166559 -0.0017158 0.2113515 0.118607 0.1222785 -0.0331744 0.0771934 -0.010259 0.0102705 -0.0192827 0.0168905 -0.0646199 0.0983416 -0.1201196 -0.0712145 0.0424882 0.0129437 -0.3993528 -0.0343948 0.0828133 0.0494011 -0.0615429 0.0819715 0.0385458 -0.0291668 0.0106054 0.034541 -0.0023027 -0.0031846 -0.0197647 0.0216798 0.9507948 0.1852125 -0.5108529 -0.1767874 1.3242592 0.2254991 -0.553598 -0.0442193 0.9202348 1.0729762 -0.4194217 0.6219405 -0.4004113 0.987625 0.2233803 0.4995015 0.4103966 1.3506987 -0.5881042 0.0094722 0.1046649 0.2755631 -0.9344875 -0.2983936 0.1434581 -0.1370074 -0.579534 -0.8589279 -0.2988245 0.4651409 -0.2308179 -0.8142301 0.151323 0.4467771 0.220679 -0.7116043 -0.8384343 0.3406722 -0.3464623 0.3565769 -0.6645785 0.0985057 -0.1634087 -0.0702091 -0.6212989 -0.7216456 0.28126 -0.2313746 0.1538141 -0.721214 -0.4496706 -0.2801531 -0.4754819 -1.2218617 0.4076851 0.2050992 -0.1055562 0.2754015 0.5621529 -0.1631504 -0.1118367 -0.1564026 0.3316194 0.3159451 -0.1864307 -0.1612537 -0.1358189 0.5511876 0.2733465 -0.1437847 0.3161735 0.5168562 0.0055474 -0.0221855 0.070717 0.0315601 0.0381331 -0.0309624 0.0904275 0.0136731 0.0010273 0.0161821 -0.0474255 -0.0001346 -0.0636753 -0.0040852 0.0196743 -0.089947 -0.0637421 -0.028233 0.025655 0.0717314 -0.0342051 0.0078079 0.0096779 0.037294 0.0274799 0.0399158 0.0320481 0.0154648 -0.0126575 -0.0858503 0.0164014 0.0582282 -0.0014118 -0.0360322 -0.047189 -0.0392584 0.0613182 0.02562 0.0497339 0.0182362 -0.0713264 -0.0246099 0.0073613 0.0644665 -0.0005094 -0.0308147 0.0095956 0.0767796 -0.0663569 0.0018407 -0.0148616 0.0097057 -0.0367181 0.0312996 -0.0846732 -0.0064806 0.0346394 -0.0882136 -0.2731882 0.0522403 0.0059385 -0.0517766 -0.0759547 -0.1181142 0.0069996 0.0698987 0.0978546 -0.1419391 -0.1433752 0.0848683 -0.0181547 -0.1889312 145.3885589|11.2460956|171.853414|-26.1206356|-9.3502701|138.5633665 0.000010141 0.000006657 -0.000004781 0.000003225 -0.000010847 0.000014871 -0.000000582 -0.000010144 -0.000025909 -0.000002418 0.000006048 -0.000009288 -0.000007405 0.000001020 0.000020610 -0.000008647 0.000003983 -0.000008164 -0.000010805 0.000008990 0.000016057 0.000002099 0.000001986 0.000002276 0.000000313 -0.000003460 -0.000002762 -0.000000707 -0.000001036 -0.000000911 -0.000000816 0.000000912 -0.000001375 0.000011187 0.000005888 0.000008990 -0.000003357 -0.000001636 -0.000003177 -0.000002905 -0.000000254 -0.000004900 -0.000000737 0.000000488 -0.000001765 0.000013584 0.000000658 -0.000009403 0.000010741 0.000002094 0.000006741 -0.000017237 -0.000015856 -0.000004823 -0.000001581 0.000004084 0.000003476 0.000033125 -0.000005683 -0.000042078 0.000014716 0.000012194 0.000009596 -0.000012312 0.000009882 0.000008985 -0.000020061 -0.000006856 0.000031504 -0.000002850 0.000000264 0.000000761 -0.000006304 -0.000012968 -0.000005301 0.000004260 0.000011896 -0.000009352 -0.000000624 0.000007391 -0.000002071 -0.000000031 -0.000002171 0.000001536 -0.000000220 -0.000001610 0.000000520 0.000001023 -0.000001287 0.000003945 0.000001094 -0.000001560 -0.000000169 -0.000000864 -0.000002199 0.000000387 0.000001916 -0.000003748 0.000003592 -0.000002071 0.000001115 0.000002836 -0.000004887 -0.000004236 -0.000000454 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4685,.9054,-.1418;2.805,-.3008,-.7268;2.1385,-1.3228,-.0411;1.656,.6289,.9501;.8326,1.2065,1.1177;3.4792,-.4408,-1.5689;1.3814,-.7369,.9731;2.8558,2.3071,-.4534;1.9687,2.9515,-.5792;3.4662,2.7482,.3523;3.4368,2.3442,-1.3837;2.1098,-2.7864,-.275;1.0957,-3.1169,-.5554;2.7947,-3.0472,-1.0922;2.4083,-3.3487,.6257;.4992,-1.3208,1.9141;.2669,.651,-1.3147;-.8248,.6009,-1.441;-1.0471,.7296,-2.5085;-1.257,-.8044,-1.0624;-1.5341,1.6898,-.6745;-.8521,-1.7932,-1.6091;-2.1487,-.8044,-.0738;-2.5161,2.2672,-1.0464;-.9375,1.9532,.5043;-2.6307,-2.0724,.3525;-1.605,2.8808,1.3505;-3.3736,-1.8683,1.1305;-3.0909,-2.6112,-.4875;-1.8071,-2.6727,.763;-.9936,2.9632,2.256;-1.6979,3.8593,.8595;-2.6087,2.5127,1.6037;.3262,-2.5111,1.8654;-.0384,-.5908,2.7098; Gaussian 16 28-Jun-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 99 C1[X(C10H18BN2O4)] 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 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:2.4685,.9054,-.1418;2.805,-.3008,-.7268;2.1385,-1.3228,-.0411;1.656,.6289,.9501;.8326,1.2065,1.1177;3.4792,-.4408,-1.5689;1.3814,-.7369,.9731;2.8558,2.3071,-.4534;1.9687,2.9515,-.5792;3.4662,2.7482,.3523;3.4368,2.3442,-1.3837;2.1098,-2.7864,-.275;1.0957,-3.1169,-.5554;2.7947,-3.0472,-1.0922;2.4083,-3.3487,.6257;.4992,-1.3208,1.9141;.2669,.651,-1.3147;-.8248,.6009,-1.441;-1.0471,.7296,-2.5085;-1.257,-.8044,-1.0624;-1.5341,1.6898,-.6745;-.8521,-1.7932,-1.6091;-2.1487,-.8044,-.0738;-2.5161,2.2672,-1.0464;-.9375,1.9532,.5043;-2.6307,-2.0724,.3525;-1.605,2.8809,1.3505;-3.3736,-1.8683,1.1305;-3.0909,-2.6112,-.4875;-1.8071,-2.6727,.763;-.9936,2.9632,2.256;-1.6979,3.8593,.8595;-2.6087,2.5127,1.6037;.3262,-2.5111,1.8654;-.0384,-.5908,2.7098; chk=71_a_2COOMe.chk Mem=24000MB 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 12 12 12 14 1 1 14 12 1 1 1 12 1 1 1 11 1 12 1 12 12 16 16 16 16 12 12 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 1 1 2 0 1 1 1 0 1 1 1 3 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "71_a_2COOMe.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 882 A 779 A 779 1173 882 65 64 1316.2194411239 35 35 35 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 -0.0282694491 0.000000 1.382167 0.000000 2.254734 1.399570 0.000000 1.388812 2.235267 2.241494 0.000000 2.086437 3.092654 3.073351 1.019682 0.000000 2.206823 1.087710 2.215667 3.288314 4.115248 0.000000 2.263180 2.259769 1.394698 1.393307 2.024542 3.309058 0.000000 1.487214 2.622688 3.722959 2.495093 2.787984 3.030464 3.670768 0.000000 2.151204 3.361344 4.311358 2.798404 2.686139 3.842953 4.044605 1.103620 0.000000 2.153012 3.301221 4.300069 2.850584 3.146251 3.722967 4.108293 1.102845 1.775263 0.000000 2.133084 2.797623 4.115184 3.400003 3.785922 2.791438 4.390029 1.097497 1.780791 1.782629 0.000000 3.711577 2.620235 1.482463 3.656622 4.417461 3.008513 2.507751 5.150924 5.747685 5.732826 5.414160 0.000000 4.270185 3.298707 2.137931 4.075681 4.643265 3.724181 2.842925 5.703319 6.130895 6.390825 5.999173 1.102850 0.000000 4.078322 2.770622 2.123415 4.356717 5.179502 2.736644 3.405925 5.392625 6.076994 6.010339 5.437327 1.097663 1.783162 0.000000 4.323168 3.358011 2.149817 4.061026 4.845012 3.797225 2.827815 5.775152 6.429399 6.194024 6.124089 1.102996 1.780955 1.786450 0.000000 3.613972 3.651234 2.551535 2.463479 2.670673 4.667500 1.415858 4.931515 5.160280 5.272498 5.739079 3.087766 3.111330 4.157832 3.068666 0.000000 2.507514 2.773746 3.003448 2.656931 2.558314 3.402241 2.898641 3.191694 2.954555 4.172868 3.594415 4.036454 3.931954 4.485112 4.934383 3.790390 0.000000 3.553425 3.807732 3.800187 3.445670 3.108169 4.430066 3.533369 4.175334 3.751251 5.122498 4.604722 4.630893 4.277180 5.150851 5.506659 4.086912 1.100125 0.000000 4.241658 4.367475 4.521947 4.390722 4.112126 4.768599 4.491000 4.684485 4.213541 5.712155 4.896628 5.226518 4.816760 5.570432 6.196375 5.114138 1.777032 1.097909 0.000000 4.201268 4.106878 3.583496 3.819712 3.628074 4.777036 3.333000 5.193016 4.974481 6.077122 5.661133 3.985466 3.337653 4.631180 4.770511 3.494414 2.122276 1.518186 2.118527 0.000000 4.113438 4.774248 4.792174 3.733866 3.007792 5.520169 4.135605 4.438632 3.724389 5.213282 5.063722 5.785664 5.480320 6.430586 6.528323 4.460803 2.175454 1.508783 2.126657 2.539297 0.000000 4.523570 4.047324 3.409411 4.325177 4.390014 4.537735 3.573837 5.647771 5.615198 6.566605 5.963553 3.396986 2.580015 3.890951 4.247895 3.803009 2.704295 2.400155 2.685401 1.200266 3.670137 0.000000 4.924112 5.021887 4.318545 4.192664 3.788320 5.834398 3.682616 5.905126 5.596032 6.658094 6.544254 4.701422 4.013138 5.523081 5.265768 3.351077 3.081104 2.365799 3.081326 1.331364 2.638101 2.239663 0.000000 5.245898 5.917025 5.963543 4.906783 4.125778 6.599189 5.319106 5.404687 4.560737 6.162485 5.962941 6.894394 6.501850 7.513305 7.653969 5.543479 3.229416 2.406827 2.580681 3.319632 1.198326 4.424055 3.242799 0.000000 3.621619 4.538964 4.526700 2.945974 2.016685 5.434648 3.582352 3.928257 3.258313 4.477502 4.780321 5.688287 5.564342 6.440618 6.270425 3.843250 2.540592 2.371797 3.253540 3.187561 1.347123 4.302217 3.066829 2.234966 0.000000 5.925691 5.818113 4.843780 5.101971 4.830235 6.609388 4.273800 7.066191 6.874770 7.772461 7.702924 4.834842 3.975041 5.698436 5.205251 3.577728 4.311893 3.691127 4.306281 2.344536 4.051067 2.662526 1.421900 4.560919 4.369825 0.000000 4.766852 5.821194 5.798361 3.983192 2.966388 6.738279 4.706246 4.845781 4.062044 5.170235 5.760498 6.968477 6.848279 7.775986 7.445695 4.732757 3.947081 3.687780 4.453200 4.418636 2.350394 5.583315 3.988185 2.636648 1.422096 5.155899 0.000000 6.591102 6.639421 5.661597 5.618327 5.210239 7.502302 4.890248 7.664714 7.395539 8.288625 8.393306 5.734624 4.937166 6.661684 5.989681 3.989070 5.057556 4.382451 5.040203 3.228107 4.393331 3.724086 2.020498 4.751432 4.574983 1.094933 5.072580 0.000000 6.587360 6.336960 5.404256 5.924363 5.704845 7.003260 5.064331 7.717123 7.520099 8.510270 8.244375 5.207974 4.217542 5.932626 5.658975 4.507998 4.754049 4.044988 4.407088 2.637858 4.577872 2.634216 2.079281 4.943822 5.143376 1.098928 5.979071 1.802700 0.000000 5.648232 5.396037 4.247002 4.788397 4.705510 6.193846 3.736036 6.929674 6.905776 7.573846 7.568078 4.053742 3.218990 4.975837 4.271496 2.910699 4.434513 4.066763 4.780708 2.669293 4.601243 2.704120 2.075322 5.308307 4.713961 1.098625 5.588167 1.798829 1.793156 0.000000 4.687256 5.829273 5.784175 3.764971 2.777917 6.798694 4.580070 4.752788 4.100495 4.853936 5.767071 7.006785 7.016875 7.854083 7.353238 4.549488 4.436771 4.390574 5.262329 5.027527 3.240613 6.130497 4.577897 3.702465 2.022878 5.626821 1.095654 5.502247 6.557418 5.886759 0.000000 5.204600 6.332442 6.510295 4.657592 3.675315 7.154734 5.533570 4.986934 4.042091 5.306667 5.804566 7.742858 7.646822 8.467195 8.298857 5.724809 4.345228 4.083170 4.643491 5.063437 2.662127 6.225830 4.777547 2.614707 2.082791 6.026028 1.098728 5.973882 6.754473 6.533622 1.802629 0.000000 5.604302 6.531101 6.320799 4.707836 3.712788 7.473281 5.184418 5.842428 5.090188 6.206929 6.745393 7.339921 7.076486 8.208370 7.777037 4.944828 4.500198 4.013437 4.746362 4.465248 2.649890 5.652349 3.745555 2.663014 2.077199 4.752894 1.098627 4.472453 5.555253 5.313921 1.799127 1.787883 0.000000 4.504508 4.212990 2.886415 3.530649 3.825660 5.101113 2.248840 5.915246 6.205934 6.309465 6.618613 2.799711 2.611419 3.889493 2.563848 1.203782 4.484992 4.684183 5.614144 3.740542 5.249656 3.738503 3.577440 6.276051 4.835185 3.350325 5.750424 3.826470 4.150045 2.406821 5.644644 6.759524 5.824155 0.000000 4.080995 4.469774 3.583575 2.730404 2.554127 5.540941 2.247893 5.174881 5.233906 5.384163 6.119440 4.282989 4.281163 5.339919 4.234956 1.206179 4.222716 4.389482 5.476382 3.969888 4.346417 4.556410 3.499565 5.330640 3.484897 3.804215 4.044038 3.905101 4.860283 3.354495 3.708015 5.097214 4.178751 2.129123 0.000000 C10H18BN2O4(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 0 222.92900000000003 AuxInfo=1/0/N:8,12,2,1,3,16,4,7;26,27,18,20,21,22,24,23,25/E:;(1,2)(4,5)(6,7)(8,9)/CRV:3.3,4.3,5.3;4.3,5.3,6.1,7.1/rA:35nC3C3C3NHHNCHHHCHHHBHCHC3C3O1OO1OCCHHHHHHHH/rB:s1;s2;s1;s4;s2;s3s4;s1;s8;s8;s8;s3;s12;s12;s12;s7;;s17;s18;s18;s18;s20;s20;s21;s21;s23;s25;s26;s26;s26;s27;s27;s27;s16;s16;/rC:1.8791,1.7337,-.2085;2.6761,.7356,-.7366;2.4991,-.4207,.0318;1.2665,1.2228,.9284;.2802,1.4209,1.095;3.3375,.8281,-1.5952;1.5802,-.1302,1.0399;1.6496,3.146,-.6144;.5742,3.3587,-.7419;2.0334,3.8527,.1402;2.152,3.3551,-1.5675;3.0741,-1.779,-.117;2.2833,-2.5153,-.3382;3.7955,-1.7903,-.9443;3.589,-2.1062,.8019;1.0292,-.9595,2.0465;-.0356,.5178,-1.2777;-1.0108,.015,-1.3581;-1.2795,-.032,-2.4216;-.82,-1.4143,-.8834;-2.0968,.7656,-.6276;-.0499,-2.1842,-1.3883;-1.62,-1.7135,.1379;-3.234,.8617,-.9929;-1.6476,1.3305,.5099;-1.5306,-3.0353,.6543;-2.628,1.9572,1.3275;-2.2819,-3.1021,1.4479;-1.7377,-3.7715,-.135;-.5278,-3.2146,1.0656;-2.094,2.345,2.2022;-3.1224,2.7752,.7856;-3.3872,1.2274,1.6404;1.3622,-2.116,2.0725;.2481,-.4626,2.8198; 0.5432739 0.4265781 0.3082278 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= 878 878 878 878 878 MxSgAt= 35 MxSgA2= 35. 1 open 1 1 1 -826.777279210470 -826.986072124437 -0.208792913967 -827.202284031758 -0.216211907321 -827.202594786734 -0.000310754976 -827.202677336266 -0.000082549532 -827.202702593427 -0.000025257162 -827.202703983121 -0.000001389694 -827.202704323996 -0.000000340875 -827.202704373958 -0.000000049962 -827.202704391696 -0.000000017738 -827.202704395679 -0.000000003984 -827.202704396421 -0.000000000742 -827.202704396594 -0.000000000173 -827.202704396621 -0.000000000027 -827.202704397 14 0.7788 8.230962788156e+02 -4.564052970850e+03 1.597562815963e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3144153146 LenY= 3143374340 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. 0.7788 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 C C C N H H N C H H H C H H H B H C H C C O O O O C C H H H H H H H H 13 13 13 14 1 1 14 13 1 1 1 13 1 1 1 11 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 1 1 0.02199 -0.02908 0.03321 0.03277 0.00506 0.00182 -0.03822 -0.01273 0.00750 0.00951 0.00031 -0.01523 0.00943 0.00033 0.00848 0.01474 -0.00012 0.00200 -0.00004 0.00007 -0.00013 0.00078 0.00564 0.00001 0.00119 0.00214 0.00003 -0.00003 0.00002 -0.00005 -0.00000 0.00000 -0.00000 -0.00546 -0.00525 24.71598 -32.68937 37.33409 10.58703 22.63865 8.12150 -12.34916 -14.30702 33.50984 42.51870 1.39035 -17.12222 42.14238 1.49015 37.90363 21.14623 -0.55297 2.25151 -0.16298 0.08113 -0.14702 -0.47133 -3.42035 -0.00437 -0.72325 2.40954 0.03541 -0.15088 0.10853 -0.20203 -0.00979 0.01071 -0.02011 -24.40408 -23.44519 8.81928 -11.66438 13.32173 3.77772 8.07803 2.89795 -4.40649 -5.10510 11.95715 15.17173 0.49611 -6.10963 15.03745 0.53172 13.52496 7.54550 -0.19731 0.80339 -0.05816 0.02895 -0.05246 -0.16818 -1.22047 -0.00156 -0.25807 0.85978 0.01263 -0.05384 0.03872 -0.07209 -0.00349 0.00382 -0.00717 -8.70798 -8.36583 8.24437 -10.90400 12.45331 3.53145 7.55144 2.70904 -4.11924 -4.77231 11.17768 14.18271 0.46377 -5.71136 14.05718 0.49706 12.64329 7.05362 -0.18445 0.75102 -0.05436 0.02706 -0.04904 -0.15722 -1.14091 -0.00146 -0.24125 0.80373 0.01181 -0.05033 0.03620 -0.06739 -0.00327 0.00357 -0.00671 -8.14032 -7.82048 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 0.146320 -0.053601 0.174598 -0.017984 0.012208 -0.003470 -0.055054 -0.002939 -0.001248 -0.004000 -0.003755 -0.001808 -0.004080 0.000873 0.000013 0.068697 0.003006 0.003445 0.000607 0.001423 0.002164 -0.001674 0.003719 0.001029 0.003523 0.003306 0.001538 0.001353 0.000240 0.000568 0.001109 0.001058 0.001386 -0.004963 0.007675 -0.166980 0.062933 -0.213190 -0.078183 -0.006509 0.006913 0.062253 0.005839 0.003984 0.007582 0.003567 0.004632 0.006881 0.000756 0.003748 -0.081112 -0.001074 -0.002264 -0.001107 -0.001826 -0.001230 0.000237 -0.003628 -0.000673 -0.000707 -0.001221 -0.000476 -0.000216 0.000499 0.002464 -0.000313 -0.000295 -0.000594 0.013976 -0.012241 0.020660 -0.009331 0.038592 0.096167 -0.005698 -0.003443 -0.007199 -0.002900 -0.002736 -0.003582 0.000188 -0.002823 -0.002801 -0.001629 -0.003761 0.012416 -0.001931 -0.001181 0.000501 0.000403 -0.000934 0.001437 -0.000091 -0.000357 -0.002816 -0.002084 -0.001061 -0.001136 -0.000738 -0.003032 -0.000796 -0.000763 -0.000792 -0.009013 0.004566 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 0.146167 -0.052562 0.166258 0.079643 -0.007716 -0.003807 -0.026619 -0.001726 -0.004858 0.000244 0.001517 -0.003462 -0.001319 -0.005203 -0.005968 0.053487 0.003793 0.001249 0.000416 0.001722 -0.000224 0.003271 0.005589 -0.000224 -0.000235 0.001507 -0.001020 0.001690 0.001335 0.004053 -0.001207 -0.000812 -0.000544 -0.003038 -0.004201 0.309023 -0.103562 0.383017 0.171625 -0.010398 -0.001804 -0.091243 0.000517 0.001307 -0.000231 -0.000089 -0.001546 -0.001601 -0.003225 -0.000510 0.132860 0.005199 0.003006 0.001997 0.002821 0.001182 0.000170 0.007691 0.000434 -0.000269 0.002898 -0.000459 -0.000278 0.000621 0.000980 -0.000984 -0.000126 -0.000372 0.008535 -0.006814 0.115852 -0.041781 0.142198 0.111513 0.003360 -0.001652 -0.023353 -0.002464 -0.002767 -0.000230 -0.005858 0.001251 0.003057 0.004545 -0.001732 0.042542 0.000423 -0.000032 0.000153 0.000849 -0.000365 -0.001316 0.004413 0.000270 -0.001063 0.000044 0.000026 -0.000123 0.000747 0.001016 0.000341 -0.000041 -0.000003 -0.000825 0.009250 -0.6683 0.2543 0.6991 -0.0469 0.9235 -0.3808 0.7424 0.2873 0.6052 -0.2326 -0.2222 0.4548 -31.211 -29.815 61.026 -11.137 -10.639 21.776 -10.411 -9.945 20.356 1 C 13 0.7443 0.291 0.6011 -0.6134 -0.058 0.7876 -0.2641 0.955 -0.1354 -0.1578 0.0744 0.0834 -21.174 9.984 11.19 -7.555 3.563 3.993 -7.063 3.33 3.733 2 C 13 -0.565 -0.2536 0.7851 -0.3712 0.928 0.0326 0.7369 0.273 0.6185 -0.283 -0.2747 0.5577 -37.974 -36.862 74.836 -13.55 -13.153 26.703 -12.667 -12.296 24.963 3 C 13 0.7976 0.0546 -0.6008 -0.2595 0.9301 -0.2599 0.5446 0.3632 0.756 -0.1418 -0.1316 0.2734 -5.469 -5.074 10.543 -1.952 -1.811 3.762 -1.824 -1.693 3.517 4 N 14 0.4459 0.1153 0.8876 0.2259 0.9451 -0.2362 0.8661 -0.3059 -0.3954 -0.0105 -0.0092 0.0197 -5.595 -4.905 10.5 -1.996 -1.75 3.747 -1.866 -1.636 3.502 5 H 1 0.7408 0.2867 0.6074 -0.6033 -0.1136 0.7894 -0.2953 0.9513 -0.0888 -0.0064 -0.0018 0.0082 -3.427 -0.975 4.401 -1.223 -0.348 1.571 -1.143 -0.325 1.468 6 H 1 0.7777 0.1791 0.6026 -0.6249 0.3252 0.7098 0.0688 0.9285 -0.3648 -0.1319 0.0624 0.0695 -5.087 2.408 2.679 -1.815 0.859 0.956 -1.697 0.803 0.894 7 N 14 -0.2036 0.2132 0.9556 0.9621 0.2245 0.1549 -0.1815 0.9509 -0.2508 -0.0036 -0.0033 0.0068 -0.478 -0.437 0.915 -0.17 -0.156 0.326 -0.159 -0.146 0.305 8 C 13 0.7332 0.5604 0.3852 -0.4752 0.0169 0.8797 -0.4865 0.828 -0.2787 -0.0043 -0.0035 0.0078 -2.281 -1.864 4.145 -0.814 -0.665 1.479 -0.761 -0.622 1.383 9 H 1 0.916 -0.0113 0.401 -0.4006 0.0279 0.9158 0.0215 0.9995 -0.0211 -0.0041 -0.0035 0.0076 -2.19 -1.861 4.051 -0.781 -0.664 1.445 -0.73 -0.621 1.351 10 H 1 0.6318 -0.5141 -0.5801 0.7678 0.3122 0.5595 0.1066 0.7989 -0.5919 -0.0049 -0.0032 0.0081 -2.618 -1.709 4.327 -0.934 -0.61 1.544 -0.873 -0.57 1.443 11 H 1 0.722 0.19 0.6653 -0.5586 -0.4074 0.7225 -0.4083 0.8933 0.188 -0.0041 -0.0023 0.0065 -0.556 -0.313 0.869 -0.198 -0.112 0.31 -0.185 -0.104 0.29 12 C 13 0.7883 -0.0686 0.6115 -0.5988 -0.3141 0.7367 -0.1415 0.9469 0.2887 -0.0052 -0.0028 0.008 -2.778 -1.495 4.274 -0.991 -0.534 1.525 -0.927 -0.499 1.426 13 H 1 0.2582 0.7116 -0.6534 0.7527 0.2758 0.5978 -0.6056 0.6462 0.4645 -0.0053 -0.0036 0.0089 -2.83 -1.918 4.748 -1.01 -0.684 1.694 -0.944 -0.64 1.584 14 H 1 0.5878 0.4953 0.6397 -0.5628 -0.3177 0.7631 -0.5812 0.8085 -0.0921 -0.0056 -0.0027 0.0082 -2.973 -1.422 4.394 -1.061 -0.507 1.568 -0.992 -0.474 1.466 15 H 1 -0.3085 0.9512 0.0047 -0.5796 -0.1919 0.792 0.7542 0.2416 0.6105 -0.0982 -0.0951 0.1934 -16.822 -16.287 33.109 -6.002 -5.812 11.814 -5.611 -5.433 11.044 16 B 11 -0.5811 0.3916 0.7134 -0.0881 0.8412 -0.5334 0.809 0.3728 0.4544 -0.0059 -0.0017 0.0077 -3.166 -0.928 4.094 -1.13 -0.331 1.461 -1.056 -0.31 1.366 17 H 1 -0.419 0.6277 0.6561 0.1696 0.764 -0.6226 0.892 0.1496 0.4266 -0.0031 -0.002 0.0051 -0.42 -0.263 0.683 -0.15 -0.094 0.244 -0.14 -0.088 0.228 18 C 13 0.6605 -0.4269 -0.6176 0.2273 0.8977 -0.3774 0.7156 0.1088 0.69 -0.0015 -0.0011 0.0026 -0.816 -0.569 1.385 -0.291 -0.203 0.494 -0.272 -0.19 0.462 19 H 1 -0.5187 0.8172 0.2513 -0.415 -0.4977 0.7616 0.7475 0.2907 0.5973 -0.0027 -0.0017 0.0043 -0.357 -0.227 0.583 -0.127 -0.081 0.208 -0.119 -0.076 0.195 20 C 13 -0.192 0.6553 0.7306 0.2757 0.7505 -0.6007 0.9419 -0.0861 0.3247 -0.0016 -0.001 0.0026 -0.211 -0.137 0.348 -0.075 -0.049 0.124 -0.07 -0.046 0.116 21 C 13 0.7758 -0.6095 -0.1634 0.4198 0.3053 0.8547 0.471 0.7317 -0.4928 -0.0043 0.0011 0.0032 0.31 -0.076 -0.234 0.111 -0.027 -0.083 0.103 -0.025 -0.078 22 O 17 -0.2832 0.9167 -0.282 -0.6309 0.0433 0.7746 0.7223 0.3973 0.5661 -0.0067 -0.0061 0.0128 0.486 0.442 -0.928 0.173 0.158 -0.331 0.162 0.147 -0.309 23 O 17 0.216 0.8045 -0.5533 -0.1656 0.5887 0.7912 0.9622 -0.0793 0.2604 -9.0E-4 -2.0E-4 0.0012 0.066 0.018 -0.084 0.024 0.006 -0.03 0.022 0.006 -0.028 24 O 17 0.0497 0.3857 0.9213 0.0296 0.9214 -0.3874 0.9983 -0.0466 -0.0344 -0.0033 -3.0E-4 0.0035 0.237 0.019 -0.256 0.085 0.007 -0.091 0.079 0.006 -0.086 25 O 17 -0.4268 0.2654 0.8645 -0.0945 0.9376 -0.3345 0.8994 0.2245 0.3751 -0.0035 -0.0014 0.0049 -0.47 -0.186 0.656 -0.168 -0.067 0.234 -0.157 -0.062 0.219 26 C 13 0.2865 0.372 0.8829 0.2793 0.8491 -0.4484 0.9165 -0.3751 -0.1393 -0.0012 -8.0E-4 0.002 -0.161 -0.111 0.272 -0.057 -0.04 0.097 -0.054 -0.037 0.091 27 C 13 -0.5337 0.7918 -0.2971 -0.093 0.2942 0.9512 0.8405 0.5353 -0.0833 -0.0013 -0.0011 0.0025 -0.699 -0.612 1.311 -0.249 -0.218 0.468 -0.233 -0.204 0.437 28 H 1 0.0318 -0.4471 0.8939 0.7749 -0.5538 -0.3046 0.6313 0.7024 0.3289 -0.0011 -0.001 0.002 -0.581 -0.511 1.093 -0.207 -0.183 0.39 -0.194 -0.171 0.365 29 H 1 -0.257 0.0104 0.9664 0.7449 -0.635 0.2049 0.6158 0.7725 0.1554 -0.0033 -0.0026 0.0059 -1.751 -1.397 3.148 -0.625 -0.498 1.123 -0.584 -0.466 1.05 30 H 1 0.5048 0.3548 0.7869 0.2385 0.8188 -0.5222 0.8296 -0.4513 -0.3288 -0.0013 -9.0E-4 0.0022 -0.679 -0.471 1.15 -0.242 -0.168 0.41 -0.227 -0.157 0.384 31 H 1 0.2545 0.4576 0.852 0.3396 0.7826 -0.5218 0.9055 -0.4221 -0.0437 -8.0E-4 -6.0E-4 0.0014 -0.439 -0.331 0.77 -0.157 -0.118 0.275 -0.146 -0.11 0.257 32 H 1 0.2463 0.4474 0.8597 0.1388 0.8617 -0.4881 0.9592 -0.2396 -0.1502 -9.0E-4 -7.0E-4 0.0016 -0.48 -0.363 0.843 -0.171 -0.129 0.301 -0.16 -0.121 0.281 33 H 1 -0.625 -0.0422 0.7795 0.7555 0.2185 0.6176 -0.1963 0.9749 -0.1047 -0.0158 0.0011 0.0147 -8.437 0.606 7.831 -3.01 0.216 2.794 -2.814 0.202 2.612 34 H 1 PT7758.900S 2024-06-28T10:32:22.000 -19.31928 -19.30982 -19.25086 -19.24326 -14.49896 -14.48497 -10.43295 -10.42996 -10.35330 -10.34164 -10.32543 -10.32109 -10.31845 -10.29980 -10.28456 -10.27944 -6.82348 -1.23530 -1.22584 -1.14456 -1.14020 -1.13393 -0.94684 -0.90966 -0.90506 -0.84248 -0.82350 -0.81113 -0.80957 -0.69691 -0.68981 -0.67870 -0.66967 -0.65150 -0.63466 -0.61284 -0.60385 -0.58360 -0.57678 -0.57294 -0.56545 -0.54991 -0.53105 -0.52328 -0.51826 -0.51543 -0.51437 -0.50972 -0.49631 -0.48304 -0.47959 -0.47577 -0.47150 -0.46490 -0.46322 -0.45210 -0.44366 -0.41303 -0.40575 -0.39661 -0.39063 -0.36871 -0.36762 -0.35192 -0.19130 0.06163 0.06490 0.07268 0.09621 0.11799 0.12298 0.12676 0.13635 0.13714 0.14815 0.15656 0.15952 0.16796 0.17028 0.17560 0.18472 0.18619 0.18947 0.19261 0.20119 0.20433 0.20867 0.21312 0.21800 0.21980 0.22665 0.23779 0.24253 0.24685 0.25354 0.25618 0.26751 0.27717 0.28012 0.28667 0.29508 0.30538 0.30913 0.31189 0.31971 0.32384 0.32700 0.33066 0.33743 0.34385 0.35725 0.36839 0.37064 0.37487 0.38688 0.38861 0.39040 0.39327 0.40626 0.41379 0.41462 0.42152 0.42981 0.43583 0.43834 0.44330 0.45168 0.45479 0.45769 0.46483 0.47188 0.47475 0.48174 0.48629 0.49105 0.49552 0.49861 0.50278 0.50813 0.51688 0.52113 0.52232 0.53388 0.53408 0.53958 0.54118 0.54869 0.55227 0.55982 0.56263 0.56679 0.57101 0.57714 0.59098 0.59259 0.59453 0.59620 0.61021 0.61192 0.61897 0.62506 0.63250 0.63429 0.63861 0.65432 0.66059 0.66796 0.67411 0.68953 0.69555 0.70098 0.70887 0.71165 0.72581 0.72767 0.73670 0.74606 0.75219 0.76261 0.77302 0.78011 0.78609 0.79192 0.80326 0.81314 0.82357 0.82593 0.82659 0.84124 0.85291 0.86549 0.86971 0.87203 0.89436 0.89797 0.90903 0.91156 0.91519 0.91858 0.92797 0.93971 0.94699 0.94814 0.95954 0.96635 0.97198 0.97810 0.98550 0.99135 0.99510 1.00384 1.00890 1.01134 1.03168 1.03522 1.03995 1.04207 1.04897 1.05423 1.05967 1.06603 1.07642 1.08252 1.08975 1.09385 1.10389 1.10811 1.11375 1.12478 1.12978 1.13099 1.14152 1.14225 1.14822 1.15888 1.16581 1.16961 1.17650 1.18484 1.18641 1.20278 1.20782 1.21136 1.23243 1.23383 1.24639 1.25651 1.26259 1.27253 1.28080 1.28629 1.29597 1.30110 1.30836 1.31662 1.32059 1.33113 1.35255 1.35485 1.36075 1.36802 1.37644 1.38000 1.38444 1.39535 1.40658 1.41704 1.42413 1.43058 1.43450 1.43856 1.44185 1.45063 1.47074 1.47620 1.48460 1.49072 1.49476 1.50399 1.50497 1.51452 1.52194 1.52241 1.53214 1.53791 1.54014 1.54836 1.55353 1.55681 1.55980 1.56795 1.58619 1.58766 1.59914 1.60574 1.61092 1.61297 1.63461 1.64044 1.64747 1.65406 1.66439 1.66957 1.67838 1.67914 1.68137 1.70809 1.71238 1.72100 1.72560 1.74071 1.74646 1.75202 1.76885 1.78276 1.79408 1.80580 1.82920 1.84797 1.85599 1.86633 1.88942 1.89533 1.89853 1.91061 1.93495 1.94467 1.95309 1.97879 1.98252 1.99364 2.00299 2.01478 2.03262 2.03653 2.04820 2.05975 2.07867 2.08815 2.09563 2.10834 2.12323 2.13448 2.14431 2.15387 2.15514 2.17330 2.17599 2.19084 2.20892 2.21604 2.21927 2.23984 2.25090 2.26519 2.28560 2.28948 2.30772 2.31377 2.31979 2.32761 2.34462 2.35293 2.37592 2.37850 2.39384 2.40415 2.42020 2.43105 2.43688 2.45016 2.47259 2.48785 2.49513 2.50004 2.50638 2.51689 2.53886 2.55562 2.57216 2.57872 2.59178 2.60851 2.62202 2.62688 2.64907 2.64992 2.66218 2.66682 2.67167 2.70088 2.70948 2.72588 2.73626 2.74258 2.75571 2.76750 2.77432 2.77733 2.78783 2.79464 2.81560 2.81968 2.82354 2.84345 2.84840 2.85630 2.85823 2.86179 2.86827 2.86972 2.87722 2.88324 2.89439 2.90334 2.90784 2.92019 2.93358 2.95093 2.95400 2.96150 2.97321 2.98537 2.99497 3.00183 3.00708 3.01537 3.02409 3.03691 3.04187 3.04697 3.05693 3.06232 3.06556 3.07659 3.08836 3.09282 3.10097 3.10566 3.10901 3.11548 3.12389 3.13526 3.14312 3.14766 3.15160 3.16111 3.16574 3.17441 3.18350 3.19008 3.19587 3.21967 3.22418 3.22454 3.23351 3.24631 3.25485 3.26611 3.27087 3.28314 3.28620 3.29190 3.30280 3.30859 3.31947 3.32556 3.33951 3.35142 3.35378 3.36337 3.36668 3.37533 3.38257 3.38562 3.39669 3.40617 3.40866 3.41529 3.41685 3.42692 3.42980 3.44291 3.44829 3.46341 3.46484 3.47096 3.48071 3.48352 3.48730 3.49151 3.49713 3.50628 3.50722 3.53094 3.53883 3.54115 3.54885 3.55530 3.56648 3.57626 3.58211 3.58652 3.59171 3.60835 3.61640 3.62271 3.62806 3.63745 3.64409 3.64908 3.65531 3.66164 3.67310 3.67923 3.68762 3.69668 3.70058 3.71883 3.72335 3.73002 3.73974 3.74386 3.75948 3.77527 3.78575 3.79581 3.80652 3.82274 3.82564 3.83956 3.85873 3.86506 3.87257 3.88031 3.89394 3.90651 3.91653 3.92233 3.93724 3.94384 3.95304 3.96274 3.96738 3.97394 3.98380 3.98689 4.00457 4.01098 4.01366 4.01827 4.03042 4.03527 4.03829 4.04451 4.05208 4.07319 4.07797 4.08382 4.08884 4.09066 4.10145 4.11359 4.12196 4.12557 4.13328 4.13460 4.14191 4.14516 4.15241 4.15917 4.16249 4.16954 4.17338 4.18436 4.19094 4.19525 4.20846 4.22126 4.22463 4.24376 4.26240 4.27318 4.27853 4.28631 4.29382 4.29904 4.30131 4.30925 4.32070 4.32807 4.33322 4.34751 4.35870 4.37206 4.37901 4.40132 4.42730 4.43747 4.44818 4.46321 4.47269 4.47565 4.49997 4.51764 4.53082 4.54158 4.54558 4.56111 4.56766 4.57704 4.57945 4.59770 4.60580 4.62044 4.63066 4.63979 4.65134 4.65922 4.66651 4.69204 4.69910 4.71424 4.73084 4.74014 4.75186 4.76032 4.77854 4.78661 4.79775 4.81682 4.82864 4.84614 4.86243 4.87219 4.87708 4.91481 4.92640 4.93022 4.94167 4.95528 4.96342 4.98069 4.99049 4.99902 5.01243 5.01965 5.03998 5.06575 5.07233 5.07992 5.10144 5.11135 5.12353 5.13587 5.14830 5.15681 5.16330 5.17039 5.18800 5.20296 5.20996 5.21979 5.22979 5.23340 5.26219 5.26649 5.27075 5.27524 5.27975 5.28208 5.28839 5.29383 5.30674 5.31118 5.31909 5.33225 5.34489 5.34746 5.36386 5.38576 5.40086 5.41884 5.42661 5.43178 5.44307 5.44707 5.46312 5.48273 5.49756 5.50624 5.51944 5.52688 5.53784 5.58308 5.59406 5.59831 5.60713 5.61677 5.62425 5.63119 5.64521 5.64910 5.65267 5.66309 5.67578 5.68569 5.70011 5.70959 5.71976 5.73773 5.75479 5.76465 5.78981 5.79360 5.80930 5.84000 5.89745 5.91281 5.91811 5.95626 6.03068 6.05034 6.05442 6.11407 6.14291 6.19273 6.23496 6.24802 6.26991 6.27999 6.33010 6.34751 6.36606 6.40921 6.47108 6.48864 6.54861 6.56207 6.58261 6.63916 6.65725 6.69516 6.81827 6.82028 6.84551 6.88233 6.90191 6.94414 7.00983 7.03914 7.05289 7.07011 7.11466 7.15030 7.16437 7.25238 7.26812 7.45496 7.48298 7.53429 7.56345 16.11869 23.02133 23.38284 23.46188 23.48197 23.53030 23.55303 23.67243 23.68447 23.71293 23.73489 32.77020 32.97424 44.04492 44.09972 44.37398 44.43277 -19.31926 -19.30974 -19.25086 -19.24323 -14.50058 -14.48289 -10.43295 -10.42996 -10.35329 -10.34158 -10.32105 -10.32080 -10.31265 -10.30018 -10.28664 -10.27989 -6.82126 -1.23527 -1.22575 -1.14230 -1.13962 -1.13383 -0.94023 -0.90958 -0.89846 -0.84243 -0.82133 -0.81103 -0.80766 -0.69559 -0.68899 -0.67159 -0.66577 -0.64832 -0.63417 -0.61261 -0.60286 -0.58269 -0.57660 -0.56688 -0.56464 -0.54325 -0.52960 -0.51991 -0.51517 -0.51351 -0.51270 -0.50451 -0.49348 -0.48282 -0.47822 -0.47334 -0.46790 -0.46435 -0.46236 -0.45182 -0.44140 -0.41270 -0.40432 -0.39569 -0.39010 -0.36770 -0.34980 -0.33306 0.02316 0.06362 0.07220 0.08523 0.09747 0.12270 0.12641 0.13521 0.13644 0.14022 0.14857 0.15721 0.16036 0.16805 0.17112 0.17681 0.18591 0.18703 0.18953 0.19343 0.20207 0.20529 0.20854 0.21346 0.21861 0.22082 0.22832 0.24153 0.24490 0.24866 0.25351 0.25726 0.26788 0.27827 0.28430 0.28861 0.29745 0.30673 0.31083 0.31278 0.32067 0.32500 0.32876 0.33283 0.33790 0.34547 0.35838 0.36878 0.37264 0.37644 0.38811 0.38943 0.39071 0.39700 0.40870 0.41465 0.41606 0.42279 0.43075 0.43764 0.44046 0.44501 0.45368 0.45604 0.45829 0.46543 0.47362 0.47576 0.48371 0.48751 0.49197 0.49703 0.50002 0.50340 0.50876 0.51734 0.52266 0.52462 0.53444 0.53585 0.54077 0.54177 0.55072 0.55451 0.56228 0.56362 0.56851 0.57346 0.57876 0.59150 0.59458 0.59546 0.59663 0.61151 0.61424 0.62004 0.62663 0.63382 0.63561 0.63977 0.65535 0.66125 0.66894 0.67569 0.69057 0.69627 0.70211 0.70983 0.71262 0.72807 0.72931 0.73894 0.74738 0.75334 0.76388 0.77418 0.78302 0.78699 0.79260 0.80366 0.81478 0.82450 0.82690 0.82816 0.84282 0.85356 0.86703 0.87040 0.87300 0.89485 0.89914 0.91002 0.91300 0.91563 0.91915 0.92837 0.94086 0.94791 0.94881 0.96055 0.96722 0.97272 0.97844 0.98654 0.99203 0.99625 1.00447 1.00953 1.01182 1.03263 1.03620 1.04018 1.04288 1.05061 1.05585 1.06051 1.06804 1.07714 1.08324 1.09029 1.09467 1.10494 1.10919 1.11467 1.12584 1.13044 1.13285 1.14275 1.14317 1.14977 1.15990 1.16732 1.17021 1.17699 1.18646 1.18903 1.20378 1.20892 1.21266 1.23289 1.23518 1.24754 1.25778 1.26325 1.27504 1.28114 1.28813 1.29819 1.30298 1.31023 1.31868 1.32279 1.33218 1.35464 1.35628 1.36184 1.36935 1.37726 1.38164 1.38538 1.39681 1.40814 1.41817 1.42562 1.43185 1.43669 1.43965 1.44306 1.45245 1.47271 1.47724 1.48523 1.49132 1.49666 1.50425 1.50610 1.51590 1.52337 1.52678 1.53361 1.53872 1.54248 1.54979 1.55444 1.55866 1.56135 1.56965 1.58706 1.59012 1.59991 1.60717 1.61236 1.61393 1.63557 1.64127 1.64845 1.65518 1.66532 1.67005 1.67893 1.68158 1.68328 1.70873 1.71357 1.72345 1.72583 1.74209 1.74782 1.75318 1.76998 1.78587 1.79511 1.80800 1.83333 1.85129 1.85674 1.86931 1.89157 1.89834 1.90586 1.91265 1.93805 1.94717 1.95674 1.98406 1.98549 1.99623 2.00817 2.01631 2.03508 2.04249 2.05528 2.06463 2.08078 2.09517 2.09867 2.11193 2.12563 2.14039 2.14872 2.15601 2.16148 2.17897 2.18277 2.19582 2.21514 2.22227 2.22511 2.24442 2.25867 2.26861 2.28658 2.29422 2.31119 2.32053 2.32273 2.33165 2.34938 2.35759 2.37709 2.38368 2.39516 2.40641 2.42226 2.43619 2.43908 2.45439 2.47653 2.48837 2.49825 2.50156 2.50917 2.52513 2.54460 2.55964 2.57430 2.58077 2.59506 2.61016 2.62381 2.62786 2.65074 2.65218 2.66290 2.66777 2.67406 2.70348 2.71328 2.72883 2.73880 2.74358 2.75711 2.76942 2.77549 2.77833 2.78929 2.79601 2.81641 2.82151 2.82618 2.84586 2.84933 2.85704 2.85907 2.86228 2.86899 2.87041 2.87799 2.88549 2.89554 2.90442 2.90946 2.92299 2.93494 2.95195 2.95738 2.96407 2.97398 2.98630 2.99580 3.00324 3.00928 3.01589 3.02504 3.03848 3.04227 3.04823 3.05913 3.06446 3.06761 3.07757 3.09029 3.09404 3.10335 3.10722 3.11082 3.11630 3.12495 3.13755 3.14597 3.14919 3.15394 3.16280 3.16772 3.17615 3.18548 3.19122 3.19705 3.22090 3.22561 3.22683 3.23828 3.24717 3.26047 3.26832 3.27319 3.28752 3.29021 3.29627 3.30406 3.31162 3.32123 3.32863 3.34112 3.35245 3.35531 3.36657 3.36789 3.37794 3.38315 3.38766 3.39744 3.40716 3.41160 3.41603 3.41807 3.42914 3.43137 3.44378 3.44935 3.46468 3.46681 3.47372 3.48200 3.48500 3.48909 3.49330 3.49972 3.50746 3.51186 3.53288 3.54066 3.54353 3.55022 3.55760 3.56696 3.57844 3.58266 3.58707 3.59407 3.61030 3.61802 3.62420 3.63021 3.63852 3.64615 3.64941 3.65565 3.66275 3.67432 3.68222 3.68849 3.69846 3.70321 3.72040 3.72550 3.73114 3.74154 3.74545 3.75975 3.77597 3.78766 3.79688 3.80799 3.82377 3.82618 3.84041 3.86068 3.86775 3.87400 3.88078 3.89433 3.90832 3.91684 3.92367 3.93840 3.94575 3.95406 3.96605 3.96769 3.97513 3.98578 3.98830 4.00557 4.01339 4.01475 4.01988 4.03165 4.03631 4.04002 4.04514 4.05360 4.07522 4.07897 4.08461 4.08926 4.09176 4.10255 4.11465 4.12312 4.12653 4.13401 4.13596 4.14294 4.14687 4.15416 4.16058 4.16330 4.17119 4.17441 4.18609 4.19252 4.19643 4.20881 4.22262 4.22595 4.24571 4.26352 4.27430 4.27937 4.28736 4.29491 4.29957 4.30281 4.31002 4.32196 4.32870 4.33402 4.34934 4.35946 4.37244 4.38047 4.40236 4.42936 4.43901 4.44952 4.46501 4.47366 4.47681 4.50056 4.51858 4.53136 4.54334 4.54865 4.56401 4.56817 4.57765 4.58211 4.59990 4.60612 4.62356 4.63124 4.64045 4.65276 4.65960 4.66696 4.69377 4.69977 4.71464 4.73299 4.74206 4.75407 4.76085 4.78036 4.78860 4.80033 4.81831 4.83023 4.84814 4.86458 4.87413 4.87903 4.91564 4.92768 4.93121 4.94199 4.95633 4.96479 4.98141 4.99157 5.00038 5.01388 5.01987 5.04017 5.06609 5.07319 5.08147 5.10304 5.11263 5.12582 5.13652 5.14876 5.15686 5.16403 5.17075 5.18813 5.20341 5.21040 5.22167 5.23043 5.23545 5.26362 5.26760 5.27106 5.27666 5.28037 5.28250 5.28896 5.29415 5.30775 5.31269 5.31939 5.33260 5.34507 5.34905 5.36489 5.38754 5.40245 5.41970 5.42775 5.43290 5.44360 5.44802 5.46503 5.48314 5.49955 5.50763 5.51959 5.52797 5.53815 5.58327 5.59605 5.59864 5.60763 5.61703 5.62450 5.63198 5.64590 5.65043 5.65396 5.66366 5.67603 5.68688 5.70085 5.71071 5.72063 5.73841 5.75569 5.76549 5.79128 5.79380 5.81061 5.84028 5.89948 5.91288 5.91823 5.95775 6.03214 6.05064 6.05491 6.11676 6.14294 6.19286 6.23631 6.25142 6.27018 6.28012 6.33015 6.34757 6.36610 6.40924 6.47111 6.48872 6.55056 6.56211 6.58267 6.63921 6.65767 6.69703 6.81835 6.82035 6.84566 6.88246 6.90193 6.94419 7.00988 7.03920 7.05298 7.07023 7.11561 7.15032 7.16443 7.25239 7.26816 7.45499 7.48304 7.53433 7.56352 16.12427 23.02537 23.38293 23.46909 23.48227 23.53033 23.55407 23.67237 23.68449 23.71297 23.73464 32.77157 32.97350 44.04493 44.09974 44.37399 44.43284 2-A. -0.2090 2.0993 0.2781 2.1279 -106.0201 -93.7410 -105.3292 2.8403 -11.0026 -1.7789 -4.3233 7.9558 -3.6324 2.8403 -11.0026 -1.7789 6.3416 7.9417 -25.3857 -28.1821 -10.1054 8.8578 -18.9034 14.0894 11.0083 -11.7691 -2659.8141 -1875.3867 -818.5180 -3.2711 -145.3960 46.7160 -4.5824 -34.3305 29.4242 -694.4907 -538.8846 -468.0480 25.4556 -36.0199 9.7460 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO02 CECILIA 2024-06-28T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-827.2027044 S2=0.778779 S2-1=0. S2A=0.750496 RMSD=6.707e-09 Dipole=0.2602265,0.7785476,0.1643854 Quadrupole=0.5363369,2.5006551,-3.036992,5.1724199,-7.5906266,2.6787324 PG=C01 [X(C10H18B1N2O4)] 0 2.4685397578 0.9054042309 -0.1417820663 0 2.8050327485 -0.3007958372 -0.7267945514 0 2.1385262166 -1.3227759735 -0.0411401746 0 1.656029043 0.6288832926 0.9500798906 0 0.8326004523 1.2064837722 1.1176912841 0 3.479166037 -0.4407618213 -1.5688562139 0 1.3813723672 -0.7368911633 0.9730788696 0 2.8557912416 2.3071050074 -0.4533548894 0 1.9687227304 2.9515017926 -0.5792115795 0 3.4662451619 2.7482166002 0.352271239 0 3.436773662 2.3442075644 -1.3837220186 0 2.1098137373 -2.7863935511 -0.2750114601 0 1.0956970969 -3.1168694923 -0.5554224213 0 2.7947348889 -3.0472025108 -1.0921557666 0 2.408294457 -3.3486587249 0.6257472654 0 0.4992395907 -1.3207783762 1.9141261855 0 0.2668960383 0.6510063097 -1.3146720401 0 -0.8247991959 0.6008833445 -1.4410176663 0 -1.0470839812 0.7295992388 -2.5084565605 0 -1.2570124742 -0.8043732516 -1.062421615 0 -1.5341352949 1.6897634183 -0.6744622357 0 -0.8521472566 -1.7932194658 -1.6091439057 0 -2.1486756562 -0.8044425359 -0.0737524878 0 -2.5161170224 2.2671660631 -1.0463534172 0 -0.9374809591 1.9531580344 0.5042523366 0 -2.6306751144 -2.0724378868 0.3524672023 0 -1.6049670655 2.8808499524 1.350543107 0 -3.3735849263 -1.868322096 1.1304780357 0 -3.0908737274 -2.6112283184 -0.4875124662 0 -1.8071394203 -2.6726603043 0.7629524247 0 -0.9935967594 2.9631899873 2.2560286232 0 -1.6979438339 3.8593359817 0.8595007899 0 -2.6086583183 2.5127490703 1.6036974645 0 0.3262296031 -2.511066754 1.8654103093 0 -0.0383628242 -0.5908265972 2.7097535091