Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 25-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 34 34 57 58 305 (5D, 7F) def2SVP 96 96 C1[X(C9H19BN3O2)] C1[X(C9H19BN3O2)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 192.9262 0 2 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,10.4,13.4,14.1/rA:34nCCCCN4CB4HHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;s5;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.175,1.866,-.2818;-1.337,1.7159,.7749;-2.7354,-.4988,1.0045;-2.4881,-1.7512,.0778;-2.0846,.5713,.2457;-2.9479,1.0036,-.8713;-.7564,-.3309,-.3264;-.3378,2.7531,-.916;.7836,1.9972,.2469;-.9568,1.4708,1.774;-1.9667,2.6148,.8547;-2.2406,-.603,1.9783;-3.8034,-.2955,1.1762;-2.1838,-2.6096,.7039;-3.4173,-2.043,-.4395;-2.3718,1.6229,-1.5664;-3.3069,.13,-1.4248;-3.7996,1.5754,-.4711;.2423,-.8524,.9109;1.4056,-1.4597,.2435;.5784,-.0374,1.568;-.2638,-1.6132,1.5276;1.3345,-2.4608,-.187;2.6443,-.7731,-.0507;2.7047,.4762,.4786;3.5659,-1.2428,-.6865;3.8837,1.2009,.2009;4.0204,1.336,-.8825;3.7711,2.1769,.689;4.7715,.6842,.5957;-.1574,.7171,-1.0903;-.6637,.9367,-1.9242;-1.5123,-1.4194,-.8728;-2.2157,-1.5239,-1.5757; /usr/local/CompChem/Gaussian/g16/g16 Output=89_p_COOMe.log chk=89_p_COOMe.chk Mem=12000MB NProc=8 #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 12 12 12 12 14 12 11 1 1 1 1 1 1 1 1 1 1 1 12 12 1 1 1 12 16 16 12 1 1 1 14 1 14 1 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 11.0093053 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 0 0 0 0 2 0 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 0 0 1 1 1 2 1 2 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 (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 1 1 1 1 2 2 2 3 3 3 3 4 4 4 5 6 6 6 7 7 7 19 19 19 20 20 24 24 25 27 27 27 31 33 2 8 9 31 5 10 11 4 5 12 13 14 15 33 6 16 17 18 19 31 33 20 21 22 23 24 25 26 27 28 29 30 32 34 1.5779 1.1026 1.1026 1.4049 1.4659 1.0968 1.1004 1.5775 1.4645 1.0973 1.1006 1.1052 1.1028 1.4022 1.4764 1.0947 1.0948 1.1011 1.6733 1.4285 1.4334 1.4722 1.0996 1.1024 1.0921 1.4465 1.3581 1.2142 1.4115 1.1004 1.097 1.1005 1.0 1.0 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 2 2 2 8 8 9 1 1 1 5 5 10 4 4 4 5 5 12 3 3 3 14 14 15 2 2 3 5 5 5 16 16 17 19 19 31 7 7 7 20 20 21 19 19 23 20 20 25 24 25 25 25 28 28 29 1 1 7 4 4 7 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 19 19 19 19 19 19 20 20 20 24 24 24 25 27 27 27 27 27 27 31 31 31 33 33 33 8 9 31 9 31 31 5 10 11 10 11 11 5 12 13 12 13 13 14 15 33 15 33 33 3 6 6 16 17 18 17 18 18 31 33 33 20 21 22 21 22 22 23 24 24 25 26 26 27 28 29 30 29 30 30 7 32 32 7 34 34 110.6686 109.2924 108.472 107.9717 109.1966 111.2469 102.006 112.0892 113.0943 109.3413 111.8512 108.3562 101.8932 112.0404 112.9803 109.1953 112.1544 108.4639 109.0879 110.7029 108.6283 106.9989 112.101 109.3275 127.5971 110.0395 110.2498 109.7736 109.9139 109.2314 107.6392 110.1236 110.1429 111.9469 111.0945 125.0553 105.3662 113.1618 110.7803 109.5812 109.3658 108.5108 120.3611 124.9624 114.2464 113.2953 124.9535 121.743 115.6473 111.1306 106.4749 111.2342 109.9751 108.0978 109.9314 106.675 107.0941 113.2493 106.7576 87.8372 135.9137 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 8 8 8 9 9 9 31 31 31 2 2 8 8 9 9 1 1 10 10 11 11 5 5 5 12 12 12 13 13 13 4 4 12 12 13 13 3 3 14 14 15 15 2 2 2 3 3 3 31 31 31 33 33 33 19 19 33 33 19 19 31 31 7 7 21 21 22 22 19 19 23 23 20 26 24 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 19 19 19 19 19 19 20 20 20 20 24 24 25 25 25 2 2 2 2 2 2 2 2 2 31 31 31 31 31 31 5 5 5 5 5 5 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 33 33 33 33 33 33 6 6 6 6 6 6 19 19 19 19 19 19 31 31 31 31 33 33 33 33 20 20 20 20 20 20 24 24 24 24 25 25 27 27 27 5 10 11 5 10 11 5 10 11 7 32 7 32 7 32 3 6 3 6 3 6 14 15 33 14 15 33 14 15 33 2 6 2 6 2 6 7 34 7 34 7 34 16 17 18 16 17 18 20 21 22 20 21 22 1 32 1 32 4 34 4 34 23 24 23 24 23 24 25 26 25 26 27 27 28 29 30 107.2761 -135.8692 -13.0126 -133.9441 -17.0894 105.7672 -12.4952 104.3596 -132.7839 -24.3633 97.1853 -145.0507 -23.5021 95.8768 -142.5746 142.7585 -79.0091 23.9358 162.1682 -96.0875 42.1449 136.5473 -105.9689 14.082 19.9474 137.4312 -102.5178 -102.9279 14.5559 134.6068 -143.8826 77.954 -25.2369 -163.4003 95.0172 -43.1462 22.8376 -114.8353 -97.7829 124.5443 143.7399 6.067 47.5482 165.7595 -73.2906 -166.6836 -48.4723 72.4776 -65.5524 54.1573 176.2767 79.4484 -160.8419 -38.7224 -72.2834 170.1582 148.5388 30.9804 72.8501 177.5775 -147.6832 -42.9557 -77.6074 94.4219 160.3395 -27.6312 41.5098 -146.4609 6.7054 -174.3269 179.1651 -1.8673 -178.8919 2.1031 59.9335 179.6833 -60.5614 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 320 A 305 A 508 320 1117.8548759979 34 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 42 out of a maximum of 182 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00148 0.00198 0.00278 0.00557 0.00657 0.01055 0.01273 0.01273 0.01342 0.01521 0.01901 0.01979 0.02237 0.02354 0.03255 0.03636 0.04013 0.04775 0.05075 0.05450 0.05706 0.05787 0.05959 0.06431 0.06507 0.06841 0.07271 0.07354 0.07686 0.08428 0.08898 0.09521 0.09809 0.09992 0.10114 0.10214 0.10540 0.10616 0.11320 0.12281 0.12399 0.13896 0.14868 0.15512 0.15956 0.15986 0.16019 0.16094 0.16253 0.16747 0.17274 0.18453 0.19365 0.22455 0.23161 0.23220 0.23522 0.24748 0.25079 0.25436 0.26434 0.26927 0.29319 0.30795 0.31783 0.33280 0.33381 0.33395 0.33448 0.33555 0.33619 0.33632 0.33645 0.33679 0.33746 0.33875 0.33966 0.34025 0.34128 0.34401 0.34584 0.34758 0.35778 0.36456 0.37095 0.38495 0.39071 0.41715 0.42380 0.44750 0.47019 0.47616 0.49421 0.56737 0.60867 0.99347 -2.29571690e-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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 2.97031 2.08054 2.08224 2.75481 2.72633 2.07827 2.09315 2.96089 2.72540 2.07860 2.09571 2.08684 2.08056 2.76121 2.70570 2.10324 2.08526 2.08376 3.05002 2.70923 2.71787 2.79401 2.07567 2.07937 2.06400 2.74154 2.55520 2.29286 2.66936 2.07899 2.07216 2.07921 1.91833 1.91862 1.91343 1.89335 1.97993 1.85623 1.88936 1.92756 2.03209 1.90097 1.88446 1.87131 1.92056 1.84568 2.03002 1.90160 1.87491 1.87308 1.92779 1.84821 1.88351 1.90856 1.99167 1.84223 1.94674 1.88513 2.15400 2.06495 2.05770 1.99432 1.92983 1.92798 1.86634 1.86724 1.87276 2.08341 2.06868 2.13038 1.80482 1.96265 1.92771 1.92324 1.92445 1.91838 2.10536 2.17211 1.99997 1.97303 2.17540 2.13471 2.02269 1.93733 1.85717 1.94005 1.91988 1.88911 1.92053 2.00177 1.91753 1.96569 1.98185 1.91203 1.96759 1.64933 -2.51646 -0.52011 -2.61365 -0.49626 1.50009 -0.46494 1.65246 -2.63439 -0.63256 1.60235 -2.76030 -0.52539 1.49722 -2.55105 1.84433 -1.17186 -0.28869 2.97831 -2.28801 0.97899 2.74850 -1.53901 0.57426 0.62973 2.62541 -1.54451 -1.36492 0.63076 2.74403 -1.91768 1.09899 0.21614 -3.05037 2.22312 -1.04339 0.53371 -1.68329 -1.60639 2.45979 2.65993 0.44293 1.53880 -2.63791 -0.56748 -1.48439 0.62209 2.69252 -1.39767 0.67662 2.82672 1.78384 -2.42506 -0.27496 -0.99650 3.07631 2.10371 -0.10666 1.06159 -3.03397 -2.03896 0.14866 -1.42043 1.59978 2.76142 -0.50156 0.64065 -2.62233 0.11747 -3.03537 -3.13895 -0.00861 -3.10859 0.04395 1.04320 3.13180 -1.06049 -0.00001 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00003 -0.00001 -0.00001 0.00004 -0.00003 -0.00000 0.00000 0.00005 -0.00003 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00003 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00002 0.00001 0.00005 0.00001 -0.00004 -0.00002 -0.00000 0.00000 -0.00008 0.00003 -0.00000 0.00004 0.00005 -0.00003 -0.00004 -0.00001 -0.00002 0.00002 0.00005 0.00000 0.00002 0.00000 -0.00002 -0.00003 0.00001 0.00002 0.00001 0.00005 -0.00003 -0.00008 0.00004 0.00007 -0.00002 -0.00001 0.00000 -0.00003 0.00002 0.00001 0.00011 -0.00001 -0.00000 -0.00000 -0.00007 -0.00002 -0.00002 0.00004 -0.00003 -0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00003 0.00001 0.00005 0.00002 0.00004 -0.00004 0.00005 0.00007 0.00005 0.00006 0.00008 0.00006 0.00005 0.00006 0.00004 -0.00008 -0.00002 -0.00011 -0.00005 -0.00009 -0.00003 0.00022 -0.00002 0.00021 -0.00004 0.00020 -0.00004 -0.00019 -0.00022 -0.00021 -0.00019 -0.00021 -0.00020 -0.00018 -0.00020 -0.00019 -0.00007 0.00018 -0.00009 0.00016 -0.00005 0.00020 0.00010 0.00010 0.00008 0.00008 0.00011 0.00010 0.00013 0.00008 0.00015 -0.00010 -0.00015 -0.00008 -0.00001 0.00005 0.00002 -0.00001 0.00004 0.00001 0.00005 0.00001 0.00005 0.00002 -0.00000 0.00004 -0.00001 0.00003 -0.00004 -0.00003 -0.00009 -0.00008 -0.00002 -0.00001 -0.00003 -0.00009 -0.00002 -0.00007 -0.00007 -0.00001 -0.00010 -0.00010 -0.00010 -0.00003 0.00001 0.00002 -0.00009 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00000 -0.00002 -0.00004 0.00000 -0.00001 -0.00002 0.00002 0.00000 0.00001 0.00000 0.00001 0.00001 0.00003 0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00004 -0.00002 -0.00000 0.00002 -0.00007 0.00001 0.00003 0.00002 0.00000 -0.00005 0.00006 -0.00004 0.00003 0.00000 0.00002 0.00001 0.00004 -0.00002 0.00000 -0.00005 -0.00002 0.00001 0.00004 0.00001 -0.00001 -0.00003 0.00003 -0.00005 0.00003 0.00002 -0.00005 -0.00006 0.00003 0.00004 0.00003 0.00002 -0.00002 -0.00001 0.00004 -0.00004 -0.00001 0.00000 0.00003 -0.00001 -0.00000 0.00001 0.00000 0.00002 0.00001 -0.00002 0.00002 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00007 0.00001 0.00002 -0.00009 -0.00009 0.00007 0.00006 -0.00004 -0.00003 0.00008 -0.00002 -0.00001 0.00007 -0.00003 -0.00002 -0.00011 -0.00001 -0.00008 0.00002 -0.00012 -0.00002 -0.00003 -0.00004 0.00007 0.00006 0.00008 0.00007 -0.00004 -0.00003 -0.00004 -0.00002 -0.00002 -0.00003 0.00001 0.00002 0.00001 0.00002 0.00002 0.00002 0.00003 -0.00005 -0.00005 -0.00001 0.00003 -0.00001 0.00003 0.00000 0.00004 0.00001 0.00002 -0.00001 0.00000 0.00002 -0.00002 -0.00002 -0.00001 -0.00006 -0.00004 -0.00004 -0.00009 0.00011 0.00001 0.00014 0.00004 0.00007 -0.00006 0.00004 -0.00009 -0.00005 0.00002 -0.00002 0.00004 -0.00003 0.00003 -0.00005 0.00003 0.00001 0.00009 0.00005 -0.00002 0.00002 0.00002 0.00002 -0.00001 0.00000 0.00000 -0.00004 -0.00002 -0.00000 0.00001 0.00005 -0.00003 0.00000 0.00001 0.00001 0.00000 -0.00002 0.00001 -0.00002 -0.00001 -0.00001 -0.00000 -0.00002 0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00000 0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00005 0.00003 -0.00011 -0.00001 0.00002 0.00002 -0.00008 -0.00002 0.00006 -0.00000 0.00008 -0.00003 -0.00002 -0.00000 0.00002 -0.00000 0.00005 -0.00005 -0.00000 0.00001 0.00002 -0.00003 0.00000 -0.00001 0.00004 -0.00001 -0.00000 -0.00007 -0.00000 0.00001 0.00000 0.00004 0.00003 -0.00000 0.00000 0.00001 0.00015 -0.00006 -0.00002 -0.00000 -0.00004 -0.00003 -0.00002 0.00005 -0.00002 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00005 0.00002 0.00007 -0.00006 -0.00005 0.00004 0.00011 0.00003 0.00002 0.00014 0.00006 0.00004 0.00012 0.00004 0.00002 -0.00019 -0.00003 -0.00019 -0.00004 -0.00020 -0.00005 0.00019 -0.00006 0.00028 0.00003 0.00028 0.00003 -0.00023 -0.00026 -0.00025 -0.00021 -0.00024 -0.00023 -0.00016 -0.00019 -0.00018 -0.00005 0.00020 -0.00007 0.00018 -0.00010 0.00015 0.00009 0.00013 0.00007 0.00011 0.00011 0.00015 0.00014 0.00010 0.00014 -0.00009 -0.00014 -0.00010 -0.00002 0.00004 -0.00005 -0.00006 0.00001 -0.00008 0.00015 0.00002 0.00019 0.00005 0.00007 -0.00002 0.00004 -0.00006 -0.00009 -0.00001 -0.00011 -0.00004 -0.00005 0.00003 -0.00008 -0.00006 -0.00000 0.00001 -0.00001 -0.00003 -0.00008 -0.00007 -0.00008 2.97030 2.08054 2.08225 2.75477 2.72630 2.07827 2.09316 2.96093 2.72538 2.07861 2.09572 2.08685 2.08057 2.76118 2.70571 2.10322 2.08525 2.08375 3.05002 2.70921 2.71788 2.79401 2.07568 2.07938 2.06400 2.74153 2.55522 2.29287 2.66935 2.07899 2.07216 2.07921 1.91832 1.91862 1.91348 1.89338 1.97982 1.85622 1.88938 1.92758 2.03201 1.90094 1.88452 1.87131 1.92063 1.84565 2.03000 1.90159 1.87493 1.87308 1.92784 1.84816 1.88351 1.90857 1.99169 1.84220 1.94674 1.88512 2.15404 2.06494 2.05769 1.99425 1.92982 1.92799 1.86634 1.86728 1.87279 2.08340 2.06868 2.13039 1.80497 1.96260 1.92769 1.92324 1.92440 1.91836 2.10534 2.17216 1.99994 1.97304 2.17539 2.13470 2.02271 1.93734 1.85717 1.94006 1.91988 1.88911 1.92052 2.00182 1.91755 1.96576 1.98179 1.91197 1.96763 1.64944 -2.51643 -0.52010 -2.61351 -0.49620 1.50013 -0.46482 1.65250 -2.63436 -0.63275 1.60232 -2.76050 -0.52542 1.49702 -2.55109 1.84452 -1.17192 -0.28841 2.97833 -2.28773 0.97902 2.74827 -1.53926 0.57401 0.62952 2.62517 -1.54474 -1.36508 0.63057 2.74385 -1.91773 1.09920 0.21607 -3.05019 2.22302 -1.04324 0.53380 -1.68316 -1.60632 2.45991 2.66004 0.44308 1.53894 -2.63781 -0.56734 -1.48448 0.62195 2.69242 -1.39769 0.67666 2.82667 1.78379 -2.42506 -0.27504 -0.99635 3.07633 2.10390 -0.10661 1.06166 -3.03400 -2.03893 0.14860 -1.42052 1.59977 2.76130 -0.50159 0.64060 -2.62230 0.11740 -3.03543 -3.13896 -0.00860 -3.10861 0.04392 1.04313 3.13173 -1.06057 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000023 0.000005 0.000573 0.000138 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.060601e-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 1 1 1 1 2 2 2 3 3 3 3 4 4 4 5 6 6 6 7 7 7 19 19 19 20 20 24 24 25 27 27 27 31 33 2 8 9 31 5 10 11 4 5 12 13 14 15 33 6 16 17 18 19 31 33 20 21 22 23 24 25 26 27 28 29 30 32 34 1.5718 1.101 1.1019 1.4578 1.4427 1.0998 1.1076 1.5668 1.4422 1.0999 1.109 1.1043 1.101 1.4612 1.4318 1.113 1.1035 1.1027 1.614 1.4337 1.4382 1.4785 1.0984 1.1004 1.0922 1.4508 1.3522 1.2133 1.4126 1.1002 1.0965 1.1003 1.0151 1.0153 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 2 2 2 8 8 9 1 1 1 5 5 10 4 4 4 5 5 12 3 3 3 14 14 15 2 2 3 5 5 5 16 16 17 19 19 31 7 7 7 20 20 21 19 19 23 20 20 25 24 25 25 25 28 28 29 1 1 7 4 4 7 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 19 19 19 19 19 19 20 20 20 24 24 24 25 27 27 27 27 27 27 31 31 31 33 33 33 8 9 31 9 31 31 5 10 11 10 11 11 5 12 13 12 13 13 14 15 33 15 33 33 3 6 6 16 17 18 17 18 18 31 33 33 20 21 22 21 22 22 23 24 24 25 26 26 27 28 29 30 29 30 30 7 32 32 7 34 34 109.6315 108.4809 113.4417 106.3543 108.2523 110.4411 116.43 108.9174 107.9714 107.2183 110.0398 105.7498 116.3114 108.9534 107.4246 107.3196 110.4544 105.8944 107.917 109.3526 114.1145 105.5519 111.5401 108.0102 123.4151 118.3128 117.8974 114.2659 110.5709 110.465 106.9332 106.9852 107.3012 119.3703 118.5265 122.0619 103.4085 112.4518 110.4496 110.1937 110.2627 109.9151 120.6282 124.4528 114.5897 113.046 124.641 122.3098 115.8918 111.0009 106.4078 111.1569 110.0012 108.2381 110.038 114.6931 109.8664 112.6258 113.5517 109.5511 112.7345 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 8 8 8 9 9 9 31 31 31 2 2 8 8 9 9 1 1 10 10 11 11 5 5 5 12 12 12 13 13 13 4 4 12 12 13 13 3 3 14 14 15 15 2 2 2 3 3 3 31 31 31 33 33 33 19 19 33 33 19 19 31 31 7 7 21 21 22 22 19 19 23 23 20 26 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 19 19 19 19 19 19 20 20 20 20 24 24 25 25 2 2 2 2 2 2 2 2 2 31 31 31 31 31 31 5 5 5 5 5 5 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 33 33 33 33 33 33 6 6 6 6 6 6 19 19 19 19 19 19 31 31 31 31 33 33 33 33 20 20 20 20 20 20 24 24 24 24 25 25 27 27 5 10 11 5 10 11 5 10 11 7 32 7 32 7 32 3 6 3 6 3 6 14 15 33 14 15 33 14 15 33 2 6 2 6 2 6 7 34 7 34 7 34 16 17 18 16 17 18 20 21 22 20 21 22 1 32 1 32 4 34 4 34 23 24 23 24 23 24 25 26 25 26 27 27 28 29 94.4997 -144.1823 -29.8003 -149.7513 -28.4333 85.9486 -26.6391 94.6789 -150.9392 -36.2433 91.8079 -158.1537 -30.1026 85.7846 -146.1642 105.6725 -67.1424 -16.5407 170.6444 -131.0931 56.092 157.4775 -88.1788 32.9025 36.0809 150.4247 -88.4941 -78.2039 36.1398 157.2211 -109.8751 62.9678 12.3838 -174.7734 127.3754 -59.7818 30.5796 -96.4456 -92.0392 140.9357 152.4029 25.3778 88.1666 -151.1412 -32.5143 -85.0493 35.643 154.2698 -80.0803 38.7673 161.9589 102.2065 -138.9458 -15.7543 -57.0953 176.2596 120.5338 -6.1113 60.8243 -173.8339 -116.824 8.5177 -81.3846 91.6606 158.2175 -28.7373 36.7065 -150.2482 6.7308 -173.9138 -179.8488 -0.4934 -178.1094 2.5181 59.7711 179.4389 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0315692851 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,10.4,13.4,14.1/rA:34nCCCCN4CB4HHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;s5;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.175,1.866,-.2819;-1.337,1.7159,.7749;-2.7354,-.4988,1.0045;-2.4881,-1.7512,.0778;-2.0845,.5713,.2457;-2.9479,1.0036,-.8713;-.7564,-.3309,-.3264;-.3378,2.7531,-.916;.7836,1.9972,.2469;-.9568,1.4708,1.774;-1.9667,2.6148,.8547;-2.2406,-.603,1.9783;-3.8034,-.2955,1.1762;-2.1838,-2.6096,.7039;-3.4173,-2.043,-.4395;-2.3718,1.6229,-1.5664;-3.3069,.13,-1.4248;-3.7996,1.5754,-.4711;.2423,-.8524,.9109;1.4056,-1.4597,.2435;.5784,-.0374,1.568;-.2638,-1.6132,1.5276;1.3345,-2.4608,-.187;2.6443,-.7731,-.0507;2.7047,.4762,.4786;3.5659,-1.2428,-.6865;3.8837,1.2009,.2009;4.0204,1.336,-.8825;3.7711,2.1769,.689;4.7715,.6842,.5957;-.1574,.7171,-1.0903;-.6637,.9367,-1.9242;-1.5123,-1.4194,-.8728;-2.2157,-1.5239,-1.5758; 0.000000 1.577871 0.000000 3.715225 2.629291 0.000000 4.308636 3.719139 1.577481 0.000000 2.366638 1.465947 1.464450 2.363313 0.000000 2.963116 2.410858 2.412724 2.949858 1.476449 0.000000 2.272946 2.395680 2.390801 2.275879 1.704450 2.623065 0.000000 1.102567 2.221133 4.473433 5.089233 3.026656 3.142400 3.167606 0.000000 1.102578 2.203389 4.380345 4.978296 3.203032 4.020128 2.849597 1.783679 0.000000 2.234749 1.096761 2.763173 3.950147 2.101635 3.343736 2.774516 3.043652 2.374460 0.000000 2.250072 1.100447 3.210649 4.465207 2.135612 2.556886 3.396624 2.409913 2.883582 1.781587 0.000000 3.933291 2.764363 1.097283 2.234186 2.098884 3.346925 2.754683 4.822929 4.347880 2.447526 3.419356 0.000000 4.468021 3.207744 1.100604 2.248430 2.138121 2.571374 3.397490 5.067649 5.211547 3.402988 3.456421 1.783344 0.000000 5.003780 4.408161 2.202282 1.105158 3.215266 4.015060 2.879474 5.898296 5.498777 4.393208 5.231121 2.377768 2.863762 0.000000 5.081055 4.464438 2.221364 1.102752 3.013293 3.112643 3.166097 5.719418 5.868662 4.827034 5.047188 3.050248 2.411044 1.774832 0.000000 2.556417 2.561464 3.353105 3.755248 2.114685 1.094712 2.822162 2.416042 3.658534 3.630949 2.647528 4.187667 3.640222 4.806634 3.975091 0.000000 3.758874 3.351771 2.573645 2.543150 2.116474 1.094751 2.815013 3.994334 4.797240 4.189694 3.628570 3.640835 2.681920 3.646719 2.388482 1.767252 0.000000 3.641200 2.763469 2.759031 3.617696 2.112676 1.101132 3.593872 3.683575 4.658258 3.624005 2.489535 3.629823 2.492758 4.637412 3.638603 1.800091 1.800336 0.000000 2.997682 3.018046 3.000066 2.992817 2.807742 4.098531 1.673334 4.083301 2.975534 2.753157 4.111487 2.714045 4.092393 3.002726 4.078389 4.370046 4.360900 4.913314 0.000000 3.719437 4.229475 4.318566 3.908088 4.038042 5.124767 2.504607 4.704414 3.512388 4.063354 5.324241 4.127651 5.418308 3.797037 4.905749 5.200671 5.245789 6.067631 1.472213 0.000000 2.759037 2.715079 3.392887 3.815935 3.034835 4.412303 2.335907 3.846630 2.434502 2.161876 3.744404 2.904241 4.406791 3.872008 4.900782 4.613525 4.907210 5.091737 1.099555 2.112221 0.000000 3.922593 3.577881 2.761263 2.658712 3.119405 4.450529 2.307446 5.004123 3.971391 3.170481 4.607514 2.265246 3.793233 2.314690 3.741521 4.948656 4.584399 5.163738 1.102411 2.111652 1.787180 0.000000 4.583511 5.050452 4.672605 3.896924 4.590288 5.550625 2.987951 5.523844 4.512808 4.955098 6.143714 4.573940 5.739722 3.632363 4.776788 5.684763 5.457817 6.536864 2.232774 1.092062 3.086213 2.492537 0.000000 3.868641 4.767341 5.489079 5.226377 4.925160 5.924740 3.440394 4.698498 3.350401 4.618697 5.793025 5.292213 6.580707 5.220388 6.205349 5.761927 6.174237 6.871392 2.588551 1.446541 2.725709 3.413742 2.140686 0.000000 3.286702 4.237978 5.551801 5.664604 4.795883 5.835430 3.643999 4.048012 2.461266 4.009262 5.151473 5.279181 6.590720 5.785356 6.683399 5.591801 6.315291 6.664578 2.831198 2.343235 2.443783 3.778626 3.308533 1.358099 0.000000 4.880781 5.909981 6.566541 6.123226 6.007267 6.892724 4.432096 5.590940 4.371455 5.819972 6.918521 6.420692 7.659825 6.071261 7.033206 6.651547 7.047394 7.889169 3.708156 2.362007 3.932043 4.439120 2.590814 1.214153 2.248032 0.000000 4.141032 5.277365 6.880959 7.023567 6.001534 6.918012 4.914775 4.634463 3.201058 5.096840 6.054242 6.627195 7.891861 7.182429 8.014799 6.514069 7.449508 7.721732 4.240289 3.636195 3.785172 5.184672 4.478517 2.344383 1.411483 2.619156 0.000000 4.271185 5.620829 7.250444 7.267363 6.255265 6.976224 5.089789 4.582990 3.491405 5.643416 6.363891 7.151505 8.252996 7.521748 8.181254 6.435137 7.445725 7.834512 4.720143 3.990181 4.442871 5.732444 4.702529 2.652167 2.079160 2.625835 1.100368 0.000000 4.075667 5.129648 7.042336 7.415012 6.087998 6.996879 5.274352 4.448816 3.025421 4.901958 5.756927 6.747648 7.982701 7.640159 8.411551 6.567331 7.665334 7.682719 4.656048 4.361129 3.983662 5.598990 5.311597 3.243372 2.018418 3.691638 1.097028 1.799729 0.000000 5.160835 6.197616 7.610542 7.674734 6.865901 7.864017 5.695461 5.715860 4.212944 5.900872 7.014117 7.262041 8.650146 7.696526 8.692806 7.522166 8.345707 8.683099 4.793143 4.006227 4.364435 5.612507 4.724040 2.658282 2.080504 2.609708 1.100478 1.781626 1.799339 0.000000 1.404916 2.422437 3.537375 3.590222 2.349490 2.813713 1.428539 2.051367 2.076575 3.067818 3.264663 3.936831 4.410861 4.288644 4.320698 2.439480 3.221250 3.792886 2.574413 2.993372 2.859567 3.506439 3.625020 3.339277 3.272750 4.226913 4.269831 4.228487 4.553033 5.209348 0.000000 1.949287 2.888923 3.863968 3.816001 2.619314 2.516073 2.041692 2.102800 2.816570 3.748097 3.498034 4.481838 4.581326 4.668407 4.320300 1.875312 2.808387 3.514752 3.472638 3.837132 3.832382 4.310119 4.307413 4.168477 4.163112 4.916435 5.026385 4.815111 5.294774 5.996234 1.000000 0.000000 3.595957 3.546166 2.422308 1.402161 2.353948 2.816359 1.433388 4.334771 4.265837 3.958156 4.411943 3.053750 3.272667 2.086500 2.050762 3.236573 2.434393 3.789674 2.565375 3.124320 3.498277 2.712593 3.107891 4.286077 4.816859 5.084647 6.093848 6.180834 6.579258 6.787259 2.539198 2.716005 0.000000 4.162925 4.098031 2.824626 1.691219 2.779301 2.724074 2.261368 4.717403 4.971514 4.666268 4.806028 3.671505 3.406264 2.525211 1.733254 3.150678 1.987196 3.651596 3.560330 4.053101 4.460933 3.667307 3.925648 5.148728 5.694853 5.856374 6.912602 6.895583 7.393756 7.642782 3.081319 2.929974 1.000000 0.000000 C9H19BN3O2(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 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,10.4,13.4,14.1/rA:34nCCCCN4CB4HHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;s5;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.163,1.8649,-.2698;-1.3192,1.718,.7939;-2.7198,-.4942,1.0342;-2.4799,-1.7481,.1076;-2.0716,.574,.2703;-2.9406,1.0064,-.8422;-.7482,-.3311,-.3083;-.3281,2.7515,-.9041;.7988,1.9952,.2533;-.9335,1.4735,1.7911;-1.9469,2.618,.8762;-2.2195,-.598,2.0052;-3.7864,-.2889,1.2118;-2.1733,-2.6062,.733;-3.4124,-2.0389,-.404;-2.3676,1.6239,-1.5413;-3.3043,.1327,-1.3925;-3.7891,1.58,-.4378;.2567,-.8527,.9238;1.4152,-1.4627,.2505;.598,-.0374,1.578;-.2469,-1.6119,1.5444;1.34,-2.4642,-.1784;2.6533,-.7784,-.0517;2.7188,.4714,.4757;3.5705,-1.2504,-.6923;3.8973,1.1939,.1903;4.028,1.3274,-.894;3.7892,2.1706,.6779;4.7866,.6762,.5806;-.1519,.7151,-1.0769;-.6627,.9345,-1.9082;-1.509,-1.4189,-.849;-2.2167,-1.5232,-1.5478; 1.1957662 0.4066791 0.3493064 -19.27068 -19.20787 -14.50528 -14.38368 -14.38063 -10.38628 -10.35503 -10.34629 -10.34256 -10.33221 -10.32525 -10.31633 -10.29587 -10.26072 -6.83380 -1.16790 -1.09378 -1.07309 -0.99485 -0.97255 -0.86319 -0.84073 -0.83966 -0.78847 -0.76818 -0.71436 -0.69729 -0.67716 -0.64429 -0.62777 -0.61788 -0.60120 -0.58899 -0.58676 -0.56260 -0.55030 -0.52715 -0.51960 -0.51125 -0.50461 -0.50105 -0.49111 -0.48635 -0.47592 -0.46649 -0.46315 -0.44823 -0.43719 -0.42809 -0.41662 -0.41206 -0.40409 -0.38830 -0.36428 -0.33137 -0.30111 -0.29140 -0.25891 0.10176 0.12287 0.13066 0.14898 0.15361 0.15805 0.17188 0.17433 0.18028 0.18557 0.20117 0.21346 0.22325 0.22830 0.23625 0.24055 0.24223 0.24373 0.25322 0.25659 0.26267 0.26825 0.27485 0.27904 0.29395 0.31638 0.32108 0.33577 0.34920 0.36658 0.38640 0.38987 0.39539 0.42952 0.44118 0.45643 0.47484 0.48348 0.48751 0.51450 0.53249 0.54799 0.55826 0.56189 0.57890 0.58414 0.59408 0.60413 0.60899 0.63196 0.63519 0.64750 0.65125 0.67619 0.67912 0.68675 0.69356 0.70433 0.70529 0.71096 0.71836 0.72443 0.73604 0.73957 0.74135 0.74862 0.75368 0.75756 0.76199 0.76300 0.76754 0.77322 0.77773 0.78628 0.79074 0.79153 0.79781 0.80748 0.81842 0.83916 0.84266 0.85289 0.87201 0.88027 0.89012 0.89491 0.93492 0.94380 0.94625 0.97228 0.98294 0.99895 1.00592 1.06039 1.08568 1.10262 1.11408 1.12288 1.13993 1.14932 1.15731 1.18109 1.20792 1.21746 1.22406 1.25608 1.28712 1.29601 1.30809 1.32516 1.36073 1.37760 1.38899 1.39468 1.40727 1.43040 1.44288 1.44717 1.46465 1.51370 1.53049 1.54276 1.55524 1.58148 1.60319 1.61113 1.61692 1.62282 1.64349 1.66404 1.68009 1.70360 1.71586 1.74096 1.75657 1.76574 1.79212 1.80487 1.81308 1.81902 1.82633 1.82833 1.83651 1.85007 1.85814 1.86705 1.86890 1.87640 1.88432 1.89481 1.90190 1.91632 1.91925 1.92969 1.94280 1.94715 1.94933 1.96156 1.96997 1.97389 1.98613 1.99698 2.01237 2.02803 2.03629 2.04871 2.06396 2.07832 2.09206 2.09685 2.10726 2.12611 2.13958 2.14320 2.15838 2.16690 2.17589 2.20851 2.22524 2.23677 2.25566 2.27430 2.30855 2.31582 2.32348 2.32778 2.35981 2.39396 2.39847 2.41633 2.42357 2.43129 2.44237 2.44607 2.48003 2.50886 2.51439 2.53895 2.55979 2.57662 2.59469 2.60124 2.64168 2.70735 2.71787 2.74503 2.75116 2.75678 2.76426 2.77223 2.81154 2.83165 2.83649 2.84302 2.86143 2.88275 2.90940 2.91444 2.94104 2.95222 2.96087 2.98653 2.99620 3.00415 3.02207 3.04204 3.04726 3.07671 3.08482 3.10364 3.11178 3.12278 3.14283 3.16107 3.17331 3.20639 3.22037 3.23360 3.26065 3.28388 3.30382 3.33384 3.52443 3.56864 3.63348 3.75056 3.78728 -19.27017 -19.20355 -14.50517 -14.38375 -14.38060 -10.38725 -10.35500 -10.34629 -10.34256 -10.33224 -10.32523 -10.31630 -10.28626 -10.26102 -6.83266 -1.16537 -1.09341 -1.06600 -0.99469 -0.97222 -0.84772 -0.83961 -0.83848 -0.78631 -0.76726 -0.70155 -0.69682 -0.67700 -0.64285 -0.62445 -0.61702 -0.60103 -0.58863 -0.58521 -0.55742 -0.54570 -0.52131 -0.51914 -0.51024 -0.50356 -0.50066 -0.48864 -0.48299 -0.47545 -0.46105 -0.44877 -0.44732 -0.43461 -0.42429 -0.41526 -0.40890 -0.39721 -0.38205 -0.34994 -0.32501 -0.29788 -0.29032 0.00530 0.10188 0.12320 0.13412 0.14914 0.15387 0.16960 0.17229 0.18079 0.18283 0.19178 0.20346 0.21511 0.22387 0.22845 0.23739 0.24073 0.24333 0.24413 0.25638 0.25749 0.26349 0.26888 0.27570 0.28012 0.29544 0.31903 0.32207 0.33785 0.35161 0.37003 0.38662 0.39158 0.39726 0.43435 0.44303 0.45824 0.47709 0.48518 0.48864 0.51588 0.53765 0.55006 0.55894 0.56489 0.58003 0.58703 0.59907 0.60768 0.61238 0.63250 0.63612 0.64813 0.66145 0.67685 0.68082 0.68788 0.69433 0.70520 0.70732 0.71227 0.71978 0.72530 0.73610 0.73984 0.74398 0.75028 0.75516 0.75791 0.76290 0.76366 0.76816 0.77796 0.77953 0.78803 0.79203 0.79552 0.80193 0.80825 0.81985 0.84019 0.84465 0.85407 0.87445 0.88153 0.89143 0.89712 0.93796 0.94591 0.94889 0.97388 0.98342 0.99978 1.00788 1.06554 1.08742 1.10607 1.11524 1.12386 1.14396 1.15096 1.15820 1.18233 1.21561 1.21855 1.22667 1.25785 1.28991 1.29835 1.30869 1.32699 1.36341 1.37862 1.39110 1.39789 1.40938 1.43243 1.44368 1.45114 1.47047 1.51519 1.53171 1.54866 1.56089 1.58193 1.60379 1.61296 1.61724 1.62437 1.64548 1.66486 1.68067 1.70463 1.71711 1.74181 1.75715 1.76682 1.79456 1.80535 1.81467 1.82033 1.82663 1.83024 1.83754 1.85077 1.85888 1.86824 1.87115 1.87780 1.88493 1.89622 1.90283 1.91998 1.92208 1.93147 1.94369 1.94895 1.95179 1.96261 1.97180 1.98118 1.98735 2.00106 2.01593 2.02980 2.03746 2.05189 2.06738 2.08101 2.09388 2.10117 2.11140 2.12742 2.14263 2.14485 2.16078 2.16940 2.17811 2.20907 2.22777 2.24074 2.25642 2.27638 2.31630 2.32205 2.32816 2.34329 2.36355 2.39528 2.39936 2.41907 2.42546 2.43180 2.44306 2.44850 2.48110 2.51109 2.51552 2.54146 2.56037 2.58088 2.59486 2.60256 2.64861 2.71142 2.72678 2.74583 2.76069 2.76189 2.76855 2.77731 2.81189 2.83681 2.83996 2.84529 2.86206 2.88306 2.90958 2.91613 2.94452 2.95285 2.96166 2.98679 2.99895 3.00650 3.02489 3.04276 3.04749 3.08003 3.08543 3.10750 3.11347 3.12307 3.14309 3.16161 3.17349 3.20694 3.22392 3.23378 3.26172 3.28415 3.30727 3.34202 3.52465 3.57133 3.63384 3.75218 3.79156 2-A. -6.9198 3.8356 1.4316 8.0402 -87.1297 -89.7642 -89.7966 7.1039 6.6470 -3.1740 1.7671 -0.8673 -0.8998 7.1039 6.6470 -3.1740 -46.3558 14.4408 -7.3345 -4.6065 39.0027 8.1980 -9.1567 5.4005 1.3612 -5.3789 -2963.0357 -959.0784 -389.6669 152.2853 95.3733 1.8563 -1.6038 10.9533 -0.1262 -661.4370 -562.6953 -225.0798 -17.6998 14.5926 8.2613 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.2345,1.7684,-.3247;-1.4127,1.6875,.7126;-2.768,-.4471,.9568;-2.5368,-1.6959,.0392;-2.5254,.8413,.3559;-3.3456,1.2291,-.7518;-.4131,-.6535,-.4958;-.3791,2.6402,-.9814;.7035,1.9463,.2253;-1.0188,1.3203,1.6716;-1.7672,2.7185,.9082;-2.1148,-.5256,1.8382;-3.8063,-.5057,1.342;-2.3557,-2.5682,.6918;-3.465,-1.9239,-.5074;-2.9894,.8552,-1.7377;-4.3761,.857,-.6202;-3.4005,2.328,-.8248;.4168,-1.058,.8281;1.6824,-1.5985,.2875;.6194,-.1947,1.4763;-.1181,-1.8348,1.3948;1.739,-2.6282,-.0722;2.8774,-.8102,.0524;2.7746,.4571,.5125;3.8819,-1.2247,-.4875;3.8904,1.2909,.2777;4.092,1.3858,-.7996;3.6388,2.2711,.7;4.7935,.8918,.7632;-.1164,.5808,-1.1619;-.6548,.7042,-2.0136;-1.4657,-1.5271,-.9402;-1.8615,-1.243,-1.831; 0.000000 1.571818 0.000000 3.601278 2.540296 0.000000 4.175485 3.628345 1.566833 0.000000 2.563343 1.442709 1.442222 2.556992 0.000000 3.186225 2.467968 2.462191 3.136176 1.431793 0.000000 2.434487 2.817710 2.774510 2.425481 2.724239 3.494148 0.000000 1.100972 2.201264 4.358325 4.949729 3.103376 3.293079 3.329496 0.000000 1.101875 2.186951 4.279638 4.878611 3.415267 4.226654 2.919944 1.763363 0.000000 2.191114 1.099773 2.587378 3.750592 2.056757 3.360791 2.993354 3.031390 2.334527 0.000000 2.184457 1.107649 3.320368 4.564483 2.098449 2.732213 3.895489 2.345944 2.677154 1.760027 0.000000 3.670952 2.580236 1.099949 2.187327 2.057771 3.361849 2.891259 4.580933 4.081016 2.153202 3.392591 0.000000 4.550518 3.306942 1.109004 2.173826 2.104227 2.757879 3.861718 5.200101 5.253408 3.348612 3.839469 1.762931 0.000000 4.933378 4.358920 2.176936 1.104307 3.430199 4.181274 2.974844 5.816669 5.473301 4.226983 5.323672 2.354645 2.603972 0.000000 4.909440 4.329300 2.193272 1.100987 3.045454 3.164751 3.305747 5.529850 5.735195 4.610510 5.141805 3.046354 2.355424 1.756024 0.000000 3.227976 3.030335 3.000841 3.141706 2.144434 1.112987 3.233509 3.251518 4.322238 3.965185 3.459233 3.931756 3.464691 4.245385 3.076261 0.000000 4.250927 3.353780 2.602560 3.214848 2.092358 1.103472 4.242890 4.391636 5.263448 4.091204 3.550623 3.615089 2.455999 4.187508 2.928586 1.780957 0.000000 3.253738 2.593346 3.357836 4.205282 2.090441 1.102678 4.233442 3.041601 4.253426 3.594396 2.413149 4.109455 3.590207 5.231055 4.264245 1.780918 1.776872 0.000000 3.121148 3.301189 3.245420 3.123024 3.533674 4.677858 1.614002 4.193345 3.077588 2.903230 4.363251 2.777146 4.289943 3.160023 4.195422 4.673924 5.360631 5.363647 0.000000 3.922398 4.534044 4.645382 4.227646 4.864437 5.861402 2.428536 4.881207 3.678011 4.210858 5.560668 4.239567 5.694878 4.172480 5.218552 5.652217 6.599885 6.518467 1.478525 0.000000 2.797565 2.873132 3.436283 3.778977 3.495449 4.765756 2.272792 3.882453 2.481132 2.239867 3.808548 2.777760 4.438618 3.885825 4.858723 4.945207 5.518671 5.274306 1.098399 2.124551 0.000000 3.994177 3.814170 3.023167 2.776159 3.746477 4.940849 2.248729 5.073478 4.042290 3.292846 4.867121 2.428425 3.920696 2.457337 3.850657 5.029189 5.425520 5.747141 1.100357 2.126898 1.800181 0.000000 4.825823 5.401315 5.111696 4.377735 5.514182 6.418253 2.951376 5.750556 4.699689 5.122228 6.468523 4.787736 6.103740 4.165813 5.269460 6.104559 7.059861 7.179493 2.241523 1.092220 3.094100 2.496119 0.000000 4.059006 5.007904 5.728917 5.486218 5.657732 6.597822 3.339559 4.855785 3.514864 4.726670 5.895476 5.309599 6.813787 5.557356 6.463712 6.355879 7.472954 7.073201 2.591851 1.450760 2.739540 3.438762 2.148572 0.000000 3.387548 4.368908 5.633457 5.750750 5.316240 6.296955 3.523043 4.116239 2.567071 4.059405 5.089099 5.160350 6.702513 5.958532 6.755900 6.200472 7.250900 6.589477 2.820349 2.338563 2.449241 3.794643 3.306531 1.352153 0.000000 5.092126 6.160603 6.849182 6.457479 6.784737 7.637226 4.332821 5.773819 4.545917 5.929174 7.029129 6.469694 7.935471 6.488629 7.380075 7.287189 8.517326 8.109786 3.710142 2.361786 3.944752 4.462627 2.594965 1.213328 2.248172 0.000000 4.195929 5.335607 6.914924 7.091362 6.431988 7.309122 4.785332 4.651240 3.253979 5.103310 5.868897 6.465023 7.974936 7.353715 8.065561 7.182150 8.326404 7.446377 4.229193 3.636478 3.787221 5.204454 4.484432 2.343445 1.412562 2.629447 0.000000 4.369251 5.716529 7.314620 7.358096 6.739507 7.439363 4.954484 4.647209 3.584146 5.677229 6.246811 7.009626 8.399222 7.709084 8.255133 7.162898 8.486430 7.551540 4.704074 3.986709 4.442575 5.736960 4.709283 2.650199 2.078351 2.637482 1.100153 0.000000 4.038012 5.085100 6.964362 7.369738 6.337210 7.209411 5.138255 4.371088 2.991109 4.851953 5.428515 6.497755 7.972010 7.704067 8.337892 7.202812 8.245067 7.202817 4.634745 4.355641 3.974911 5.608598 5.311193 3.239432 2.018116 3.700002 1.096540 1.799440 0.000000 5.218542 6.257185 7.681614 7.807368 7.330418 8.285790 5.575162 5.732003 4.257860 5.898467 6.811832 7.133660 8.731850 7.942774 8.817372 8.174945 9.273436 8.469165 4.791848 4.013367 4.371792 5.653143 4.734807 2.659669 2.080342 2.622038 1.100272 1.782865 1.799942 0.000000 1.457785 2.533542 3.546338 3.533394 2.859162 3.319064 1.433662 2.083902 2.112165 3.064271 3.402937 3.770728 4.589734 4.285648 4.232661 2.942939 4.302868 3.735198 2.632516 3.175844 2.846550 3.517410 3.863663 3.517441 3.343205 4.438577 4.316382 4.299939 4.519450 5.283007 0.000000 2.039960 2.995568 3.822862 3.676521 3.021976 3.017944 2.050777 2.211254 2.898386 3.754002 3.719064 4.298889 4.759842 4.573920 4.131969 2.355664 3.976537 3.404238 3.511270 4.007535 3.822425 4.283929 4.539223 4.363308 4.266546 5.160561 5.123803 4.946732 5.315457 6.118033 1.015139 0.000000 3.571361 3.614955 2.541791 1.461167 2.900347 3.341536 1.438237 4.306822 4.257756 3.889548 4.640248 3.023866 3.424901 2.130577 2.083740 2.938132 3.775783 4.314880 2.625012 3.379790 3.458634 2.713454 3.498039 4.512390 4.901793 5.375212 6.173503 6.276316 6.570591 6.923199 2.512573 2.605462 0.000000 3.739553 3.906277 3.037536 2.039297 3.093137 3.078705 2.056207 4.242500 4.580331 4.421362 4.817157 3.747231 3.793900 2.892180 2.187883 2.383931 3.492748 4.016582 3.506483 4.144102 4.265155 3.714174 4.239785 5.117753 5.465866 5.898428 6.629591 6.589215 7.000588 7.454966 2.611386 2.298067 1.015292 0.000000 C9H19BN3O2(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 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.3405,1.7639,-.3281;-1.4897,1.6326,.7362;-2.7305,-.565,1.026;-2.4574,-1.8082,.1123;-2.5662,.729,.4107;-3.4293,1.0661,-.6808;-.4011,-.6652,-.478;-.5432,2.622,-.9874;.5994,1.993,.1993;-1.0567,1.2935,1.6885;-1.8912,2.6461,.9325;-2.0546,-.6035,1.893;-3.7557,-.6724,1.4351;-2.2182,-2.6649,.7668;-3.3848,-2.0868,-.4115;-3.0768,.7024,-1.6719;-4.4367,.6441,-.5232;-3.541,2.1603,-.7603;.4774,-1.0169,.8296;1.7561,-1.4978,.2644;.6507,-.1392,1.4669;-.0052,-1.8148,1.4137;1.8564,-2.5263,-.0893;2.9045,-.6527,-.0034;2.7486,.6116,.45;3.9163,-1.0208,-.5629;3.8155,1.4983,.1842;3.9881,1.5943,-.8981;3.5245,2.4681,.6051;4.7482,1.1489,.6519;-.1816,.5769,-1.1593;-.7444,.6662,-1.9995;-1.4181,-1.594,-.8923;-1.8474,-1.3374,-1.7758; 1.1523861 0.3653931 0.3141840 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= 320 320 320 320 320 MxSgAt= 34 MxSgA2= 34. 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= 319 319 319 319 319 MxSgAt= 34 MxSgA2= 34. 1 0.7581 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 C C C C N C B H H H H H H H H H H H C C H H H C O O C H H H N H N H 13 13 13 13 14 13 11 1 1 1 1 1 1 1 1 1 1 1 13 13 1 1 1 13 17 17 13 1 1 1 14 1 14 1 0.00163 -0.00038 -0.00007 0.00108 0.00680 0.00170 0.05965 0.00012 0.00018 -0.00000 -0.00004 -0.00001 -0.00004 -0.00006 -0.00004 0.00000 -0.00001 0.00024 -0.02846 0.15126 0.00452 0.00979 -0.01150 -0.05153 -0.00125 0.06394 -0.00191 0.00089 0.00001 0.00098 -0.00205 0.00019 -0.00598 0.00080 1.82856 -0.42958 -0.08427 1.21933 2.19569 1.90999 85.55644 0.54005 0.80251 -0.02187 -0.18874 -0.03197 -0.19961 -0.28593 -0.17199 0.01954 -0.04140 1.05520 -31.99059 170.04252 20.20192 43.74984 -51.39491 -57.93507 0.76031 -38.75749 -2.15163 3.98588 0.06261 4.35887 -0.66350 0.85383 -1.93119 3.58331 0.65248 -0.15329 -0.03007 0.43509 0.78348 0.68153 30.52867 0.19270 0.28635 -0.00780 -0.06735 -0.01141 -0.07122 -0.10203 -0.06137 0.00697 -0.01477 0.37652 -11.41504 60.67540 7.20855 15.61103 -18.33898 -20.67267 0.27130 -13.82964 -0.76775 1.42226 0.02234 1.55535 -0.23675 0.30467 -0.68910 1.27862 0.60994 -0.14329 -0.02811 0.40673 0.73240 0.63710 28.53856 0.18014 0.26769 -0.00730 -0.06296 -0.01067 -0.06658 -0.09538 -0.05737 0.00652 -0.01381 0.35198 -10.67091 56.72008 6.73863 14.59337 -17.14350 -19.32506 0.25361 -12.92811 -0.71771 1.32955 0.02089 1.45396 -0.22132 0.28481 -0.64418 1.19527 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 -0.002056 0.000264 0.003628 0.003750 0.009120 0.001788 -0.002557 -0.000891 -0.002144 -0.000525 0.000005 0.002573 0.001797 0.003203 0.002215 0.000520 0.001528 0.000973 0.003168 -0.264501 -0.004432 0.007421 -0.048597 0.028768 -0.015981 -0.163480 -0.000734 -0.000563 -0.000518 0.001665 0.004579 -0.000046 0.005018 0.002677 0.004963 0.002144 -0.002185 -0.002488 -0.001438 -0.001706 -0.022481 0.002095 0.005115 0.001305 0.000993 -0.002136 -0.000949 -0.000957 -0.001050 -0.000034 -0.000868 -0.000312 -0.017225 -0.269513 0.004248 -0.006115 0.051929 -0.004613 -0.021536 -0.227914 0.002410 0.002666 0.002205 0.000606 -0.001061 -0.000255 -0.003946 -0.001861 -0.002908 -0.002408 -0.001443 -0.001262 -0.007682 -0.000082 0.025038 -0.001204 -0.002971 -0.000779 -0.000998 -0.000437 -0.000847 -0.002247 -0.001165 -0.000485 -0.000660 -0.000661 0.014058 0.534014 0.000184 -0.001306 -0.003332 -0.024156 0.037517 0.391394 -0.001676 -0.002103 -0.001687 -0.002271 -0.003519 0.000301 -0.001072 -0.000817 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 -0.002574 -0.002676 -0.000716 0.001843 -0.010814 -0.002163 -0.010800 -0.001199 -0.000977 -0.002421 -0.001424 -0.000965 -0.000421 0.002312 0.000822 -0.001434 -0.000738 -0.001133 -0.020902 -0.179813 -0.005090 0.003450 0.003889 0.010773 -0.015896 -0.157377 0.002687 0.002905 0.002081 0.003160 -0.010241 -0.002602 0.001356 0.000585 -0.000186 -0.000544 -0.001670 -0.000596 -0.004068 0.002993 0.027870 0.000253 0.000070 -0.001239 -0.000256 -0.002694 -0.000673 -0.000564 0.000521 0.000826 0.001190 0.000176 0.020384 0.427750 -0.004901 -0.010423 0.021078 -0.016074 0.052849 0.376403 0.001149 -0.001194 0.000292 0.001065 -0.002291 0.002142 0.003025 0.002373 0.000022 0.001125 -0.000260 -0.000699 0.002394 -0.001307 -0.013473 -0.000966 0.000347 0.002289 0.000427 0.000181 0.000027 -0.000473 0.000110 -0.001016 -0.000098 -0.000065 -0.016082 -0.415918 0.009042 -0.001522 0.024160 0.010255 -0.041105 -0.310726 0.000326 -0.001139 0.000735 0.001374 -0.001842 -0.003089 0.001452 0.000524 0.6641 0.2107 0.7173 -0.6797 -0.2293 0.6967 -0.3113 0.9503 0.0091 -0.0031 -0.0027 0.0058 -0.412 -0.367 0.779 -0.147 -0.131 0.278 -0.138 -0.122 0.26 1 C 13 -0.0539 -0.2553 0.9654 0.8245 0.5341 0.1872 -0.5634 0.806 0.1817 -0.0027 -0.0016 0.0043 -0.359 -0.214 0.573 -0.128 -0.076 0.204 -0.12 -0.071 0.191 2 C 13 0.2386 0.8075 0.5395 0.1735 -0.5821 0.7944 0.9555 -0.096 -0.279 -0.0026 -0.0016 0.0042 -0.345 -0.217 0.562 -0.123 -0.077 0.201 -0.115 -0.072 0.187 3 C 13 -0.226 0.9342 0.2761 0.2004 -0.2328 0.9517 0.9533 0.2704 -0.1347 -0.0031 -0.0012 0.0044 -0.421 -0.163 0.585 -0.15 -0.058 0.209 -0.141 -0.054 0.195 4 C 13 0.2979 0.1333 0.9453 0.4657 0.8441 -0.2658 0.8333 -0.5194 -0.1894 -0.0086 -0.0082 0.0168 -0.333 -0.315 0.647 -0.119 -0.112 0.231 -0.111 -0.105 0.216 5 N 14 0.5009 0.8535 -0.1437 -0.4141 0.3821 0.8261 0.76 -0.3543 0.5449 -0.0028 -0.0022 0.0049 -0.37 -0.293 0.663 -0.132 -0.105 0.237 -0.123 -0.098 0.221 6 C 13 0.3438 0.9372 0.0582 0.7831 -0.2519 -0.5686 0.5182 -0.2411 0.8206 -0.0273 -0.0193 0.0466 -4.671 -3.307 7.978 -1.667 -1.18 2.847 -1.558 -1.103 2.661 7 B 11 0.314 0.3435 0.8851 0.8948 0.2045 -0.3969 -0.3173 0.9166 -0.2432 -0.0015 -0.0013 0.0028 -0.795 -0.681 1.476 -0.284 -0.243 0.527 -0.265 -0.227 0.492 8 H 1 -0.1487 -0.0601 0.9871 0.9803 0.1227 0.1551 -0.1304 0.9906 0.0406 -0.003 -0.0023 0.0053 -1.602 -1.203 2.805 -0.572 -0.429 1.001 -0.534 -0.401 0.936 9 H 1 0.4816 0.6658 -0.5699 0.7266 0.0602 0.6844 -0.49 0.7437 0.4547 -0.0024 -0.0019 0.0043 -1.284 -1.01 2.294 -0.458 -0.36 0.818 -0.428 -0.337 0.765 10 H 1 -0.2485 -0.3541 0.9016 0.7826 0.4751 0.4023 -0.5708 0.8055 0.159 -0.0011 -0.001 0.0021 -0.584 -0.529 1.113 -0.209 -0.189 0.397 -0.195 -0.176 0.371 11 H 1 0.3851 0.8153 0.4324 0.3414 -0.5611 0.7541 0.8574 -0.1428 -0.4944 -0.0025 -0.0018 0.0043 -1.332 -0.956 2.287 -0.475 -0.341 0.816 -0.444 -0.319 0.763 12 H 1 0.2585 0.6976 0.6682 0.066 -0.7028 0.7083 0.9638 -0.139 -0.2277 -0.0011 -9.0E-4 0.002 -0.576 -0.5 1.076 -0.205 -0.178 0.384 -0.192 -0.167 0.359 13 H 1 -0.0846 0.4256 0.901 -0.4131 0.8078 -0.4204 0.9067 0.4078 -0.1074 -0.0024 -0.0019 0.0043 -1.29 -1.01 2.3 -0.46 -0.36 0.821 -0.43 -0.337 0.767 14 H 1 -0.2647 0.6937 0.6699 0.0529 -0.6832 0.7284 0.9629 0.2282 0.1441 -0.0013 -0.0012 0.0025 -0.671 -0.656 1.327 -0.239 -0.234 0.474 -0.224 -0.219 0.443 15 H 1 0.3356 0.7649 0.5499 -0.6523 -0.2324 0.7214 0.6796 -0.6008 0.4209 -0.0014 -9.0E-4 0.0023 -0.744 -0.483 1.227 -0.265 -0.172 0.438 -0.248 -0.161 0.409 16 H 1 -0.4385 -0.5593 0.7035 -0.0524 0.7974 0.6012 0.8972 -0.2268 0.3789 -0.0013 -9.0E-4 0.0022 -0.706 -0.477 1.183 -0.252 -0.17 0.422 -0.236 -0.159 0.395 17 H 1 0.507 0.8552 -0.1075 -0.0144 0.1331 0.991 0.8618 -0.5009 0.0798 -0.001 -7.0E-4 0.0016 -0.521 -0.359 0.879 -0.186 -0.128 0.314 -0.174 -0.12 0.293 18 H 1 0.4834 0.8704 0.0929 -0.6405 0.2794 0.7153 0.5967 -0.4053 0.6926 -0.0306 -0.0105 0.041 -4.1 -1.406 5.506 -1.463 -0.502 1.965 -1.367 -0.469 1.836 19 C 13 0.8822 -0.1495 -0.4465 0.2896 0.92 0.2641 0.3712 -0.3623 0.8549 -0.4505 -0.4455 0.896 -60.453 -59.787 120.24 -21.571 -21.334 42.905 -20.165 -19.943 40.108 20 C 13 0.6756 -0.2401 0.6971 0.6465 0.6475 -0.4035 -0.3544 0.7233 0.5926 -0.0077 -0.0065 0.0142 -4.098 -3.452 7.55 -1.462 -1.232 2.694 -1.367 -1.151 2.518 21 H 1 0.5659 -0.3432 0.7496 0.056 0.9231 0.3804 0.8226 0.1733 -0.5416 -0.0085 -0.0065 0.015 -4.524 -3.486 8.009 -1.614 -1.244 2.858 -1.509 -1.163 2.672 22 H 1 0.9217 0.0523 -0.3843 0.3738 -0.3839 0.8443 0.1034 0.9219 0.3734 -0.0572 -0.005 0.0622 -30.501 -2.66 33.161 -10.884 -0.949 11.833 -10.174 -0.887 11.061 23 H 1 0.2901 -0.4046 0.8673 -0.0842 0.8919 0.4443 0.9533 0.2019 -0.2246 -0.0343 -5.0E-4 0.0348 -4.605 -0.07 4.675 -1.643 -0.025 1.668 -1.536 -0.023 1.559 24 C 13 0.6664 -0.4483 -0.5957 0.5808 0.8132 0.0378 0.4675 -0.3712 0.8023 -0.0525 -0.0348 0.0873 3.801 2.518 -6.319 1.356 0.899 -2.255 1.268 0.84 -2.108 25 O 17 0.2389 0.9335 0.2673 0.8741 -0.0869 -0.4779 0.4229 -0.3479 0.8368 -0.3572 -0.3536 0.7108 25.846 25.587 -51.433 9.222 9.13 -18.352 8.621 8.535 -17.156 26 O 17 0.7299 -0.3328 -0.5971 0.4564 -0.413 0.7881 0.5089 0.8478 0.1496 -0.0029 -0.0012 0.0041 -0.389 -0.159 0.547 -0.139 -0.057 0.195 -0.13 -0.053 0.183 27 C 13 0.6239 -0.1721 0.7623 -0.5952 0.5274 0.6063 0.5064 0.832 -0.2267 -0.0028 -0.0019 0.0047 -1.506 -1.025 2.531 -0.538 -0.366 0.903 -0.502 -0.342 0.844 28 H 1 0.2943 -0.3147 0.9024 0.8334 -0.3776 -0.4035 0.4678 0.8708 0.1511 -0.0018 -0.0016 0.0035 -0.986 -0.855 1.841 -0.352 -0.305 0.657 -0.329 -0.285 0.614 29 H 1 0.107 -0.4511 0.886 0.6711 -0.6248 -0.3991 0.7336 0.6373 0.2359 -0.0028 -0.0019 0.0048 -1.516 -1.019 2.536 -0.541 -0.364 0.905 -0.506 -0.34 0.846 30 H 1 0.5657 0.7218 0.3987 -0.2067 -0.344 0.9159 0.7983 -0.6005 -0.0454 -0.0101 -0.0023 0.0124 -0.39 -0.089 0.479 -0.139 -0.032 0.171 -0.13 -0.03 0.16 31 N 14 0.3095 0.8011 0.5123 0.7858 0.0878 -0.6122 0.5354 -0.592 0.6024 -0.0032 -0.002 0.0052 -1.726 -1.07 2.796 -0.616 -0.382 0.998 -0.576 -0.357 0.933 32 H 1 -0.0127 0.9267 -0.3755 -0.4255 0.3348 0.8407 0.9049 0.1704 0.3901 -0.0046 -0.002 0.0066 -0.176 -0.078 0.254 -0.063 -0.028 0.091 -0.059 -0.026 0.085 33 N 14 -2.72246514e+00 1.50905434e+00 5.63234059e-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 6 6 6 6 7 6 5 1 1 1 1 1 1 1 1 1 1 1 6 6 1 1 1 6 8 8 6 1 1 1 7 1 7 1 0.005752499 0.028749523 0.016431136 -0.004822140 0.004028842 0.003508946 -0.005879361 0.002711714 0.003485741 -0.017756554 -0.019274152 0.056484287 -0.012090632 0.008475560 0.012543357 0.000112802 0.000125233 0.007557060 0.007059708 -0.003536580 -0.001183301 0.001804864 0.003659739 0.004958160 -0.001556662 0.002464272 0.001334217 -0.000541011 -0.000154919 0.000032332 -0.000652920 0.000153126 0.001184550 -0.000072002 0.000485479 -0.000206426 -0.000408774 0.000613773 0.001267732 -0.005844533 -0.000732032 0.005839814 -0.003687493 -0.002682078 0.007690618 -0.003713302 0.002515161 0.000805621 -0.002513344 0.002156130 0.000502573 0.000032507 0.000013449 -0.001459580 -0.004025577 0.000617197 0.000869217 0.000671432 -0.000190685 -0.000084189 -0.000491033 -0.000243125 0.000032623 0.000410811 0.000142312 0.000237640 -0.000372402 0.000336821 -0.000110085 -0.001231588 0.000571886 0.000541856 0.001058243 -0.000104907 0.000150644 0.000758390 -0.000173821 -0.000542544 -0.000837889 -0.000475739 0.000109085 -0.000009770 0.000028917 -0.000055049 -0.000036934 0.000042428 -0.000009586 0.000132767 -0.000015648 -0.000013194 0.031068723 0.004928958 -0.033980098 -0.000135720 -0.006616477 -0.015183690 -0.014350685 -0.052175675 -0.025132931 0.032167579 0.023555318 -0.047606536 0.056484287 0.012408958 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7581 0.7582 0.7581 0.7582 0.7581 0.7582 0.7582 0.7582 0.7582 0.7582 0.7583 0.7588 0.7586 0.7585 0.7584 0.7585 0.7585 0.7585 0.7585 0.7585 0.7585 0.7585 0.7585 0.7585 0.7569 0.7584 0.7585 0.7586 0.7588 0.7585 0.7586 0.7586 0.7584 0.7585 0.7585 0.7585 0.7585 0.7585 0.7585 0.7585 open 1 1 1 -693.244986097837 -693.244987112525 -0.000001014688 -693.244987178046 -0.000000065522 -693.244987179842 -0.000000001796 -693.244987180156 -0.000000000314 -693.244987180186 -0.000000000030 -693.244987180191 -0.000000000004 -693.244987180 7 0.7585 6.859700777521e+02 -3.769646442225e+03 1.311946156788e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572652266 LenY= 1572549425 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. 0.7585 (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 C C C C N C B H H H H H H H H H H H C C H H H C O O C H H H N H N H 13 13 13 13 14 13 11 1 1 1 1 1 1 1 1 1 1 1 13 13 1 1 1 13 17 17 13 1 1 1 14 1 14 1 0.00264 -0.00001 -0.00015 0.00134 0.00028 -0.00007 0.05167 0.00005 0.00016 0.00001 -0.00001 0.00003 -0.00001 -0.00005 -0.00003 0.00004 0.00002 0.00001 -0.02499 0.15200 0.00639 0.00892 -0.01170 -0.05252 -0.00249 0.06182 -0.00180 0.00087 0.00002 0.00093 -0.00195 0.00015 -0.00580 0.00078 2.97018 -0.01623 -0.16870 1.50118 0.09158 -0.07603 74.11345 0.23623 0.70328 0.03439 -0.03461 0.13467 -0.06585 -0.22560 -0.13799 0.18488 0.08228 0.05144 -28.09180 170.87739 28.57421 39.87816 -52.29079 -59.03960 1.50909 -37.47589 -2.02886 3.91104 0.07637 4.16961 -0.63013 0.66090 -1.87295 3.48034 1.05983 -0.00579 -0.06020 0.53566 0.03268 -0.02713 26.44552 0.08429 0.25095 0.01227 -0.01235 0.04805 -0.02350 -0.08050 -0.04924 0.06597 0.02936 0.01836 -10.02385 60.97330 10.19599 14.22952 -18.65866 -21.06680 0.53848 -13.37233 -0.72395 1.39556 0.02725 1.48782 -0.22485 0.23582 -0.66831 1.24187 0.99075 -0.00541 -0.05627 0.50074 0.03055 -0.02536 24.72159 0.07880 0.23459 0.01147 -0.01155 0.04492 -0.02197 -0.07525 -0.04603 0.06167 0.02745 0.01716 -9.37042 56.99856 9.53133 13.30192 -17.44233 -19.69349 0.50338 -12.50061 -0.67675 1.30458 0.02547 1.39083 -0.21019 0.22045 -0.62475 1.16092 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 -0.002156 0.001003 0.003132 0.003919 0.002900 0.001205 -0.016833 -0.000715 -0.001666 0.000136 0.000126 0.002641 0.001539 0.002739 0.002016 0.001126 0.000971 0.000580 -0.002634 -0.283288 -0.002822 0.007688 -0.050148 0.027361 -0.016284 -0.163740 -0.001663 -0.001157 -0.001038 0.000619 0.015731 0.000931 -0.000140 0.002236 0.004967 0.000913 -0.001590 -0.002403 -0.000893 -0.000425 -0.030785 0.001842 0.004277 0.000774 0.000729 -0.002067 -0.000843 -0.000922 -0.000988 -0.000570 -0.000425 -0.000026 -0.028807 -0.362515 0.004620 -0.004459 0.053643 0.004497 -0.024787 -0.288081 0.002999 0.003180 0.002733 0.001644 -0.012668 -0.001522 -0.001090 -0.001750 -0.002811 -0.001916 -0.001542 -0.001516 -0.002007 -0.000780 0.047618 -0.001127 -0.002611 -0.000911 -0.000855 -0.000574 -0.000697 -0.001817 -0.001028 -0.000556 -0.000546 -0.000554 0.031441 0.645804 -0.001798 -0.003229 -0.003495 -0.031859 0.041071 0.451821 -0.001337 -0.002022 -0.001696 -0.002263 -0.003063 0.000592 0.001230 -0.000486 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 -0.003625 -0.002610 -0.000721 0.001906 -0.003120 -0.000991 -0.002277 -0.001444 -0.001526 -0.002562 -0.001306 -0.000969 -0.000245 0.001944 0.000719 -0.000884 -0.000485 -0.000821 -0.014362 -0.118374 -0.006399 0.005619 -0.011805 0.014544 -0.008719 -0.104542 0.001945 0.002272 0.001523 0.003010 -0.004168 -0.002055 0.003527 0.000228 -0.000214 -0.000976 -0.001293 -0.001089 -0.001312 0.000454 0.021835 0.000344 0.000226 -0.001305 -0.000279 -0.002499 -0.000601 -0.000520 0.000437 0.000872 0.000187 0.000217 0.025768 0.429776 -0.005579 -0.008993 0.014910 -0.021000 0.049649 0.378763 0.001031 -0.001039 0.000133 0.000832 -0.014302 0.003062 0.002162 0.002956 0.001132 0.000691 0.000034 -0.000690 0.000762 -0.000226 -0.003009 -0.000906 0.000273 0.001740 0.000337 0.000305 0.000036 -0.000459 0.000078 -0.000382 -0.000062 -0.000166 -0.014463 -0.302769 0.007883 -0.002467 0.022861 0.009863 -0.027741 -0.218534 0.000229 -0.001367 0.000624 0.001453 -0.002798 -0.002621 0.005765 0.000138 0.8719 0.3995 -0.2832 0.307 0.0045 0.9517 -0.3815 0.9167 0.1187 -0.0037 -0.0029 0.0066 -0.503 -0.386 0.889 -0.179 -0.138 0.317 -0.168 -0.129 0.296 1 C 13 0.3549 0.0904 0.9305 0.6159 0.7262 -0.3055 0.7034 -0.6815 -0.2021 -0.0022 -0.0016 0.0038 -0.298 -0.213 0.512 -0.106 -0.076 0.183 -0.099 -0.071 0.171 2 C 13 0.2793 0.4734 0.8354 -0.002 0.8703 -0.4925 0.9602 -0.1359 -0.244 -0.002 -0.0016 0.0036 -0.262 -0.216 0.478 -0.094 -0.077 0.171 -0.088 -0.072 0.159 3 C 13 -0.2145 0.9381 0.2718 0.2572 -0.2142 0.9423 0.9423 0.272 -0.1953 -0.003 -0.0017 0.0047 -0.408 -0.222 0.63 -0.145 -0.079 0.225 -0.136 -0.074 0.21 4 C 13 0.4776 0.8762 -0.0636 0.2163 -0.0471 0.9752 0.8515 -0.4796 -0.212 -0.0026 -0.0023 0.005 -0.102 -0.09 0.192 -0.036 -0.032 0.069 -0.034 -0.03 0.064 5 N 14 0.2922 0.8342 0.4677 -0.3588 -0.3577 0.8622 0.8865 -0.4197 0.1948 -9.0E-4 -9.0E-4 0.0018 -0.121 -0.117 0.238 -0.043 -0.042 0.085 -0.04 -0.039 0.079 6 C 13 0.1719 0.9851 -0.01 0.9403 -0.1671 -0.2965 0.2938 -0.0416 0.955 -0.0312 -0.0233 0.0545 -5.334 -3.992 9.325 -1.903 -1.424 3.328 -1.779 -1.331 3.111 7 B 11 0.5629 0.4425 0.6981 0.726 0.139 -0.6735 -0.3951 0.8859 -0.243 -0.0014 -0.0013 0.0027 -0.76 -0.699 1.459 -0.271 -0.249 0.521 -0.253 -0.233 0.487 8 H 1 -0.3597 -0.1143 0.926 0.9033 0.206 0.3763 -0.2338 0.9719 0.0292 -0.0027 -0.0019 0.0047 -1.458 -1.024 2.482 -0.52 -0.365 0.886 -0.486 -0.342 0.828 9 H 1 0.5687 0.7209 -0.3961 0.5661 0.0064 0.8243 -0.5968 0.693 0.4044 -0.0022 -0.0018 0.004 -1.175 -0.957 2.132 -0.419 -0.341 0.761 -0.392 -0.319 0.711 10 H 1 0.4471 0.1739 0.8774 0.6497 0.611 -0.4522 -0.6148 0.7723 0.1602 -9.0E-4 -9.0E-4 0.0018 -0.496 -0.485 0.981 -0.177 -0.173 0.35 -0.166 -0.162 0.327 11 H 1 0.3371 0.8827 0.3275 0.3618 -0.4426 0.8205 0.8692 -0.1581 -0.4685 -0.0023 -0.0018 0.0042 -1.24 -0.982 2.222 -0.442 -0.35 0.793 -0.413 -0.328 0.741 12 H 1 0.2154 0.817 0.5349 0.1464 -0.5686 0.8095 0.9655 -0.0961 -0.2421 -9.0E-4 -8.0E-4 0.0017 -0.472 -0.443 0.915 -0.168 -0.158 0.326 -0.157 -0.148 0.305 13 H 1 -0.1483 0.58 0.801 -0.3882 0.7107 -0.5866 0.9095 0.398 -0.1198 -0.0021 -0.0016 0.0037 -1.096 -0.856 1.952 -0.391 -0.306 0.696 -0.365 -0.286 0.651 14 H 1 -0.249 0.9253 0.2862 -0.0619 -0.3101 0.9487 0.9665 0.2185 0.1344 -0.0012 -0.0011 0.0022 -0.618 -0.578 1.195 -0.22 -0.206 0.426 -0.206 -0.193 0.399 15 H 1 0.2453 0.9088 0.3374 -0.455 -0.1994 0.8679 0.856 -0.3665 0.3646 -0.001 -9.0E-4 0.0019 -0.507 -0.494 1.001 -0.181 -0.176 0.357 -0.169 -0.165 0.334 16 H 1 0.2345 0.8955 0.3783 -0.2159 -0.3314 0.9184 0.9478 -0.297 0.1156 -6.0E-4 -6.0E-4 0.0011 -0.309 -0.303 0.611 -0.11 -0.108 0.218 -0.103 -0.101 0.204 17 H 1 0.3317 0.6591 0.675 -0.4835 -0.4956 0.7215 0.8101 -0.5657 0.1543 -6.0E-4 -6.0E-4 0.0012 -0.325 -0.313 0.637 -0.116 -0.112 0.227 -0.108 -0.104 0.213 18 H 1 0.3593 0.9311 0.063 0.8015 -0.2734 -0.5318 0.4779 -0.2416 0.8445 -0.0353 -0.0148 0.0502 -4.741 -1.99 6.731 -1.692 -0.71 2.402 -1.581 -0.664 2.245 19 C 13 0.9275 -0.0331 -0.3724 0.1229 0.9677 0.2199 0.3531 -0.2497 0.9016 -0.4516 -0.4464 0.898 -60.601 -59.896 120.498 -21.624 -21.372 42.997 -20.214 -19.979 40.194 20 C 13 0.6234 -0.1616 0.765 0.6421 0.6641 -0.383 -0.4462 0.73 0.5178 -0.008 -0.0061 0.0141 -4.274 -3.262 7.535 -1.525 -1.164 2.689 -1.426 -1.088 2.513 21 H 1 0.5375 -0.2608 0.8019 -0.1237 0.9163 0.3809 0.8341 0.3039 -0.4603 -0.0085 -0.0062 0.0147 -4.511 -3.331 7.842 -1.61 -1.188 2.798 -1.505 -1.111 2.616 22 H 1 0.9303 0.1661 -0.3272 0.3624 -0.2763 0.8901 -0.0575 0.9466 0.3172 -0.0575 -0.0045 0.062 -30.679 -2.412 33.091 -10.947 -0.861 11.808 -10.233 -0.805 11.038 23 H 1 0.3293 -0.2892 0.8988 -0.2316 0.8981 0.3738 0.9154 0.3313 -0.2288 -0.0427 0.0049 0.0379 -5.733 0.651 5.082 -2.046 0.232 1.813 -1.912 0.217 1.695 24 C 13 0.7562 -0.3696 -0.5399 0.4556 0.8897 0.029 0.4696 -0.2679 0.8412 -0.0475 -0.0302 0.0776 3.435 2.182 -5.617 1.226 0.779 -2.004 1.146 0.728 -1.874 25 O 17 0.2071 0.9642 0.1654 0.8848 -0.1126 -0.4521 0.4173 -0.24 0.8765 -0.348 -0.344 0.692 25.182 24.888 -50.07 8.986 8.881 -17.866 8.4 8.302 -16.702 26 O 17 0.8236 -0.2521 -0.5081 0.4432 -0.273 0.8538 0.354 0.9284 0.1131 -0.0029 -9.0E-4 0.0038 -0.388 -0.117 0.506 -0.139 -0.042 0.18 -0.13 -0.039 0.169 27 C 13 0.5965 -0.044 0.8014 0.6985 -0.4634 -0.5453 0.3954 0.8851 -0.2457 -0.0027 -0.0019 0.0046 -1.451 -0.989 2.44 -0.518 -0.353 0.871 -0.484 -0.33 0.814 28 H 1 0.2801 -0.2225 0.9338 0.9019 -0.2721 -0.3354 0.3287 0.9362 0.1245 -0.0018 -0.0015 0.0034 -0.963 -0.825 1.788 -0.344 -0.294 0.638 -0.321 -0.275 0.596 29 H 1 0.1113 -0.379 0.9187 0.7777 -0.5424 -0.318 0.6188 0.7498 0.2344 -0.0028 -0.0018 0.0046 -1.474 -0.971 2.445 -0.526 -0.347 0.872 -0.492 -0.324 0.816 30 H 1 0.3361 0.781 0.5263 0.3298 -0.6211 0.711 0.8822 -0.0654 -0.4663 -0.0163 -0.0073 0.0236 -0.63 -0.28 0.91 -0.225 -0.1 0.325 -0.21 -0.093 0.304 31 N 14 -0.0054 0.8269 0.5624 0.7714 0.3613 -0.5238 0.6363 -0.431 0.6398 -0.0033 -0.0021 0.0054 -1.756 -1.126 2.882 -0.627 -0.402 1.028 -0.586 -0.376 0.961 32 H 1 -0.2716 0.7969 -0.5396 0.8542 -0.0587 -0.5166 0.4433 0.6012 0.6648 -0.0062 -0.0017 0.0079 -0.239 -0.065 0.304 -0.085 -0.023 0.109 -0.08 -0.022 0.101 33 N 14 PT26510.500S 2024-10-25T15:30:31.000 -19.28658 -19.22523 -14.44016 -14.41769 -14.41680 -10.40464 -10.34355 -10.33043 -10.32938 -10.32837 -10.32732 -10.32234 -10.31996 -10.28167 -6.86311 -1.18520 -1.09044 -1.03164 -0.97802 -0.96450 -0.88386 -0.82801 -0.82286 -0.80431 -0.76404 -0.73191 -0.69972 -0.66251 -0.64272 -0.61039 -0.60460 -0.58288 -0.57536 -0.56752 -0.56375 -0.55916 -0.54393 -0.51610 -0.51285 -0.50436 -0.49817 -0.49043 -0.48438 -0.48014 -0.47559 -0.47314 -0.45381 -0.44729 -0.44429 -0.43074 -0.41653 -0.41115 -0.37943 -0.36257 -0.34822 -0.29997 -0.28750 -0.28082 0.09674 0.10359 0.14049 0.14377 0.15085 0.15524 0.16291 0.17560 0.18400 0.18678 0.19511 0.20169 0.20516 0.21318 0.22493 0.23287 0.23454 0.24286 0.24792 0.25212 0.25591 0.26208 0.27696 0.28658 0.30516 0.31947 0.32093 0.32853 0.33324 0.35882 0.36485 0.37677 0.39697 0.41278 0.42238 0.44426 0.46414 0.48206 0.50764 0.51951 0.52538 0.53647 0.54515 0.54866 0.55511 0.56777 0.58356 0.58701 0.59727 0.60620 0.61175 0.62386 0.64510 0.65848 0.66600 0.67727 0.68553 0.69670 0.70698 0.71794 0.72186 0.72743 0.72796 0.73233 0.73431 0.74325 0.74960 0.75254 0.75395 0.75582 0.75922 0.76354 0.76723 0.77245 0.77991 0.78733 0.79186 0.80484 0.80771 0.81494 0.83201 0.83606 0.84460 0.86427 0.88190 0.90038 0.90489 0.92074 0.94774 0.96026 0.97462 0.98752 1.00175 1.03382 1.06002 1.07374 1.08342 1.09642 1.11709 1.12823 1.14631 1.16461 1.18148 1.18329 1.20865 1.23027 1.24207 1.27338 1.29009 1.30424 1.32332 1.35304 1.36708 1.37195 1.38057 1.39097 1.40307 1.42989 1.45240 1.46647 1.48223 1.51748 1.52943 1.54350 1.54936 1.56915 1.58695 1.59341 1.60657 1.62155 1.63403 1.64273 1.65712 1.68917 1.70350 1.73246 1.75775 1.78132 1.79268 1.80432 1.80912 1.82388 1.83489 1.83885 1.85990 1.87541 1.87676 1.88017 1.89067 1.90034 1.90221 1.91830 1.92294 1.93300 1.93487 1.93826 1.94871 1.95073 1.95639 1.96972 1.98489 1.98889 1.99641 2.00759 2.00994 2.01785 2.02076 2.03683 2.04360 2.05328 2.07861 2.09528 2.11203 2.12170 2.13353 2.14693 2.17828 2.19384 2.19895 2.20801 2.23866 2.25876 2.28099 2.28510 2.29105 2.30791 2.32826 2.36010 2.38395 2.39554 2.41037 2.41766 2.42940 2.45240 2.47899 2.48837 2.51705 2.53319 2.54781 2.55626 2.56838 2.58516 2.61013 2.66665 2.69435 2.72147 2.73779 2.74507 2.74629 2.75790 2.76051 2.77141 2.78590 2.80055 2.81273 2.87192 2.88380 2.90279 2.91127 2.92534 2.96226 2.96947 2.99902 3.00663 3.01341 3.05035 3.05153 3.07106 3.07350 3.08246 3.08774 3.11672 3.12740 3.14439 3.16172 3.17086 3.20083 3.22484 3.29107 3.30932 3.31211 3.32032 3.44780 3.50662 3.55213 3.73687 3.77235 -19.28613 -19.22103 -14.44015 -14.41774 -14.41666 -10.40571 -10.34358 -10.33043 -10.32939 -10.32834 -10.32732 -10.32230 -10.31032 -10.28187 -6.86201 -1.18281 -1.08359 -1.03149 -0.97752 -0.96417 -0.86590 -0.82794 -0.82278 -0.80221 -0.76376 -0.71762 -0.69960 -0.66233 -0.63930 -0.60778 -0.60354 -0.57964 -0.57232 -0.56548 -0.56228 -0.55739 -0.53804 -0.51564 -0.50832 -0.50229 -0.49631 -0.48776 -0.48369 -0.47451 -0.47285 -0.46426 -0.45317 -0.44339 -0.43760 -0.42817 -0.41220 -0.40769 -0.36563 -0.36025 -0.34189 -0.29871 -0.28483 -0.01873 0.10368 0.10440 0.14077 0.14398 0.15548 0.16295 0.17221 0.18212 0.18478 0.18970 0.19545 0.20455 0.20590 0.21379 0.22542 0.23362 0.23553 0.24414 0.24908 0.25257 0.25705 0.26242 0.27846 0.28667 0.30555 0.31973 0.32104 0.32877 0.33632 0.36026 0.36655 0.38296 0.39776 0.41524 0.42332 0.44585 0.46902 0.48276 0.50946 0.52081 0.52732 0.53922 0.54589 0.54955 0.55759 0.57089 0.58413 0.59054 0.60216 0.60706 0.61413 0.62996 0.64746 0.66127 0.66794 0.67745 0.68873 0.69852 0.70731 0.72061 0.72390 0.72865 0.73010 0.73555 0.73663 0.74528 0.75014 0.75314 0.75452 0.75667 0.76140 0.76492 0.76953 0.77353 0.78169 0.79133 0.79271 0.80650 0.80956 0.81736 0.83276 0.83783 0.84625 0.86651 0.88259 0.90486 0.90572 0.92228 0.94881 0.96126 0.97673 0.98877 1.00231 1.03451 1.06274 1.07573 1.08728 1.09716 1.12063 1.13188 1.14893 1.16968 1.18319 1.18638 1.20978 1.23165 1.24345 1.27657 1.29172 1.30558 1.32519 1.35432 1.36811 1.37579 1.38205 1.39238 1.40468 1.44121 1.45328 1.46858 1.48306 1.51827 1.53112 1.54576 1.55538 1.57365 1.58727 1.59627 1.60687 1.62300 1.63418 1.64376 1.65779 1.69040 1.70433 1.73367 1.76017 1.78401 1.79484 1.80495 1.81111 1.82568 1.83573 1.84000 1.86034 1.87581 1.87895 1.88191 1.89180 1.90087 1.90283 1.92329 1.92530 1.93448 1.93814 1.94220 1.94988 1.95253 1.96044 1.97439 1.98902 1.99099 1.99663 2.00852 2.01038 2.01847 2.02270 2.03972 2.04623 2.05415 2.08372 2.09682 2.11390 2.12275 2.13817 2.15002 2.18031 2.19403 2.20154 2.20948 2.24658 2.26143 2.28133 2.29079 2.30839 2.31621 2.32969 2.36355 2.38525 2.39951 2.41145 2.41796 2.43001 2.45341 2.48001 2.49196 2.51772 2.53525 2.54851 2.55865 2.56900 2.58582 2.61734 2.67077 2.70349 2.72812 2.74535 2.74731 2.74981 2.75985 2.76225 2.77277 2.78612 2.80095 2.82255 2.87240 2.88509 2.90430 2.91218 2.92815 2.96550 2.97151 3.00059 3.00858 3.01401 3.05181 3.05254 3.07195 3.07387 3.08390 3.09142 3.11817 3.12762 3.14466 3.16192 3.17103 3.20366 3.22685 3.29405 3.30945 3.31250 3.32781 3.44806 3.50692 3.55476 3.73833 3.77642 2-A. -1.64585772e+00 9.16795199e-01 2.37725697e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.1834 2.3303 0.6042 4.8266 -96.2141 -89.0741 -89.3174 8.7238 6.9792 -3.1557 -4.6789 2.4611 2.2178 8.7238 6.9792 -3.1557 -42.2665 16.5156 -10.0944 7.1432 36.3835 8.8161 -2.9613 1.8650 3.5798 -0.6095 -3475.0505 -1006.7621 -379.9651 197.6192 103.9567 0.0921 -10.3358 12.7108 3.6738 -714.2764 -631.4515 -237.9715 -23.2253 6.4525 10.2182 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -693.2449872 0.758531 0. 0.75005 6.056E-9 6.545E-6 -3.0440364,1.2028042,1.8412322,6.7407614,5.0064341,-2.4548837 C01 [X(C9H19B1N3O2)] -1.602892 0.9965578 0.2085291 0.000008272 -0.000003038 -0.000012263 -0.000006678 -0.000009502 -0.000005110 0.000006091 0.000014096 -0.000008529 0.000012642 -0.000000782 -0.000008554 0.000006724 -0.000013525 -0.000010731 -0.000002873 0.000012351 -0.000007908 0.000001495 0.000005235 0.000016216 0.000003932 0.000001867 -0.000000032 0.000000198 0.000002571 0.000002139 0.000002373 -0.000000854 0.000000915 0.000002411 0.000001542 0.000005605 -0.000002687 0.000000348 0.000002683 -0.000000446 -0.000004536 0.000005571 -0.000001298 -0.000001828 -0.000000738 0.000001015 -0.000003769 -0.000003017 0.000002740 -0.000003047 0.000005238 0.000003847 -0.000001131 0.000000659 0.000000460 -0.000000982 0.000000648 0.000000317 -0.000005918 -0.000009421 0.000003243 0.000004868 0.000003593 -0.000002582 0.000002754 0.000000282 0.000002591 0.000000273 -0.000000707 0.000001491 -0.000001570 0.000001837 -0.000007607 -0.000005195 0.000001768 0.000002732 0.000006831 0.000001009 0.000007368 -0.000002291 -0.000004344 -0.000003342 -0.000001368 0.000001425 0.000000245 0.000001238 0.000000428 -0.000000306 0.000000375 0.000000836 0.000000255 0.000000689 0.000000612 -0.000038285 0.000001828 0.000016955 0.000004818 0.000003234 0.000001338 -0.000006322 -0.000004844 -0.000002463 -0.000002837 0.000004078 0.000004063 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.2345,1.7684,-.3247;-1.4127,1.6875,.7126;-2.768,-.4471,.9568;-2.5368,-1.6959,.0392;-2.5254,.8413,.3559;-3.3456,1.2291,-.7518;-.4131,-.6535,-.4958;-.3791,2.6402,-.9814;.7035,1.9463,.2253;-1.0188,1.3203,1.6716;-1.7672,2.7185,.9082;-2.1148,-.5256,1.8382;-3.8063,-.5057,1.342;-2.3557,-2.5682,.6918;-3.465,-1.9239,-.5074;-2.9894,.8552,-1.7377;-4.3761,.857,-.6202;-3.4005,2.328,-.8248;.4168,-1.058,.8281;1.6824,-1.5985,.2875;.6194,-.1947,1.4763;-.1181,-1.8348,1.3948;1.739,-2.6282,-.0722;2.8774,-.8102,.0524;2.7746,.4571,.5125;3.8819,-1.2247,-.4875;3.8904,1.2909,.2777;4.092,1.3858,-.7996;3.6388,2.2711,.7;4.7935,.8918,.7632;-.1164,.5808,-1.1619;-.6548,.7042,-2.0136;-1.4657,-1.5271,-.9402;-1.8615,-1.243,-1.831; Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 96 C1[X(C9H19BN3O2)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.2345,1.7684,-.3247;-1.4127,1.6875,.7126;-2.768,-.4471,.9568;-2.5368,-1.6959,.0392;-2.5254,.8413,.3559;-3.3456,1.2291,-.7518;-.4131,-.6535,-.4958;-.3791,2.6402,-.9814;.7035,1.9463,.2253;-1.0188,1.3203,1.6716;-1.7672,2.7185,.9082;-2.1148,-.5256,1.8382;-3.8063,-.5057,1.342;-2.3557,-2.5682,.6918;-3.465,-1.9239,-.5074;-2.9894,.8552,-1.7377;-4.3761,.857,-.6202;-3.4005,2.328,-.8248;.4168,-1.058,.8281;1.6824,-1.5985,.2875;.6194,-.1947,1.4763;-.1181,-1.8348,1.3948;1.739,-2.6282,-.0722;2.8774,-.8102,.0524;2.7746,.4571,.5125;3.8819,-1.2247,-.4875;3.8904,1.2909,.2777;4.092,1.3858,-.7996;3.6388,2.2711,.7;4.7935,.8918,.7632;-.1164,.5808,-1.1619;-.6548,.7042,-2.0136;-1.4657,-1.5271,-.9402;-1.8615,-1.243,-1.831; 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 12 12 12 12 14 12 11 1 1 1 1 1 1 1 1 1 1 1 12 12 1 1 1 12 16 16 12 1 1 1 14 1 14 1 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 11.0093053 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 0 0 0 0 2 0 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 0 0 1 1 1 2 1 2 1 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 3.6000000 2.7500000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "89_p_COOMe.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 1 1 1 1 2 2 2 3 3 3 3 4 4 4 5 6 6 6 7 7 7 19 19 19 20 20 24 24 25 27 27 27 31 33 2 8 9 31 5 10 11 4 5 12 13 14 15 33 6 16 17 18 19 31 33 20 21 22 23 24 25 26 27 28 29 30 32 34 1.5718 1.101 1.1019 1.4578 1.4427 1.0998 1.1076 1.5668 1.4422 1.0999 1.109 1.1043 1.101 1.4612 1.4318 1.113 1.1035 1.1027 1.614 1.4337 1.4382 1.4785 1.0984 1.1004 1.0922 1.4508 1.3522 1.2133 1.4126 1.1002 1.0965 1.1003 1.0151 1.0153 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 2 2 2 8 8 9 1 1 1 5 5 10 4 4 4 5 5 12 3 3 3 14 14 15 2 2 3 5 5 5 16 16 17 19 19 31 7 7 7 20 20 21 19 19 23 20 20 25 24 25 25 25 28 28 29 1 1 7 4 4 7 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 19 19 19 19 19 19 20 20 20 24 24 24 25 27 27 27 27 27 27 31 31 31 33 33 33 8 9 31 9 31 31 5 10 11 10 11 11 5 12 13 12 13 13 14 15 33 15 33 33 3 6 6 16 17 18 17 18 18 31 33 33 20 21 22 21 22 22 23 24 24 25 26 26 27 28 29 30 29 30 30 7 32 32 7 34 34 109.6315 108.4809 113.4417 106.3543 108.2523 110.4411 116.43 108.9174 107.9714 107.2183 110.0398 105.7498 116.3114 108.9534 107.4246 107.3196 110.4544 105.8944 107.917 109.3526 114.1145 105.5519 111.5401 108.0102 123.4151 118.3128 117.8974 114.2659 110.5709 110.465 106.9332 106.9852 107.3012 119.3703 118.5265 122.0619 103.4085 112.4518 110.4496 110.1937 110.2627 109.9151 120.6282 124.4528 114.5897 113.046 124.641 122.3098 115.8918 111.0009 106.4078 111.1569 110.0012 108.2381 110.038 114.6931 109.8664 112.6258 113.5517 109.5511 112.7345 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 8 8 8 9 9 9 31 31 31 2 2 8 8 9 9 1 1 10 10 11 11 5 5 5 12 12 12 13 13 13 4 4 12 12 13 13 3 3 14 14 15 15 2 2 2 3 3 3 31 31 31 33 33 33 19 19 33 33 19 19 31 31 7 7 21 21 22 22 19 19 23 23 20 26 24 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 19 19 19 19 19 19 20 20 20 20 24 24 25 25 25 2 2 2 2 2 2 2 2 2 31 31 31 31 31 31 5 5 5 5 5 5 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 33 33 33 33 33 33 6 6 6 6 6 6 19 19 19 19 19 19 31 31 31 31 33 33 33 33 20 20 20 20 20 20 24 24 24 24 25 25 27 27 27 5 10 11 5 10 11 5 10 11 7 32 7 32 7 32 3 6 3 6 3 6 14 15 33 14 15 33 14 15 33 2 6 2 6 2 6 7 34 7 34 7 34 16 17 18 16 17 18 20 21 22 20 21 22 1 32 1 32 4 34 4 34 23 24 23 24 23 24 25 26 25 26 27 27 28 29 30 94.4997 -144.1823 -29.8003 -149.7513 -28.4333 85.9486 -26.6391 94.6789 -150.9392 -36.2433 91.8079 -158.1537 -30.1026 85.7846 -146.1642 105.6725 -67.1424 -16.5407 170.6444 -131.0931 56.092 157.4775 -88.1788 32.9025 36.0809 150.4247 -88.4941 -78.2039 36.1398 157.2211 -109.8751 62.9678 12.3838 -174.7734 127.3754 -59.7818 30.5796 -96.4456 -92.0392 140.9357 152.4029 25.3778 88.1666 -151.1412 -32.5143 -85.0493 35.643 154.2698 -80.0803 38.7673 161.9589 102.2065 -138.9458 -15.7543 -57.0953 176.2596 120.5338 -6.1113 60.8243 -173.8339 -116.824 8.5177 -81.3846 91.6606 158.2175 -28.7373 36.7065 -150.2482 6.7308 -173.9138 -179.8488 -0.4934 -178.1094 2.5181 59.7711 179.4389 -60.7616 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00140 0.00205 0.00223 0.00258 0.00397 0.00485 0.00651 0.00888 0.00971 0.01219 0.01381 0.01579 0.01718 0.02017 0.02120 0.03072 0.03171 0.04090 0.04317 0.04356 0.04520 0.04597 0.04995 0.05259 0.05577 0.06032 0.06151 0.06174 0.06791 0.06901 0.08232 0.08384 0.08447 0.08583 0.08693 0.08914 0.09001 0.09487 0.09889 0.10041 0.10520 0.11567 0.11942 0.12138 0.12739 0.12950 0.13341 0.13399 0.14558 0.16692 0.17545 0.18182 0.18817 0.18950 0.19109 0.20092 0.20414 0.20891 0.22423 0.23052 0.24880 0.25722 0.25928 0.26956 0.27900 0.30614 0.31490 0.31801 0.32490 0.32774 0.33490 0.33578 0.33625 0.33770 0.33781 0.34017 0.34203 0.34292 0.34393 0.34427 0.34654 0.35227 0.35317 0.35399 0.36817 0.37553 0.38893 0.39289 0.40110 0.40950 0.41795 0.42859 0.46269 0.46407 0.48220 0.87740 Angle between quadratic step and forces= 64.05 degrees. 1 2 0.00028760 0.00000004 0.00000002 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 2.97031 2.08054 2.08224 2.75481 2.72633 2.07827 2.09315 2.96089 2.72540 2.07860 2.09571 2.08684 2.08056 2.76121 2.70570 2.10324 2.08526 2.08376 3.05002 2.70923 2.71787 2.79401 2.07567 2.07937 2.06400 2.74154 2.55520 2.29286 2.66936 2.07899 2.07216 2.07921 1.91833 1.91862 1.91343 1.89335 1.97993 1.85623 1.88936 1.92756 2.03209 1.90097 1.88446 1.87131 1.92056 1.84568 2.03002 1.90160 1.87491 1.87308 1.92779 1.84821 1.88351 1.90856 1.99167 1.84223 1.94674 1.88513 2.15400 2.06495 2.05770 1.99432 1.92983 1.92798 1.86634 1.86724 1.87276 2.08341 2.06868 2.13038 1.80482 1.96265 1.92771 1.92324 1.92445 1.91838 2.10536 2.17211 1.99997 1.97303 2.17540 2.13471 2.02269 1.93733 1.85717 1.94005 1.91988 1.88911 1.92053 2.00177 1.91753 1.96569 1.98185 1.91203 1.96759 1.64933 -2.51646 -0.52011 -2.61365 -0.49626 1.50009 -0.46494 1.65246 -2.63439 -0.63256 1.60235 -2.76030 -0.52539 1.49722 -2.55105 1.84433 -1.17186 -0.28869 2.97831 -2.28801 0.97899 2.74850 -1.53901 0.57426 0.62973 2.62541 -1.54451 -1.36492 0.63076 2.74403 -1.91768 1.09899 0.21614 -3.05037 2.22312 -1.04339 0.53371 -1.68329 -1.60639 2.45979 2.65993 0.44293 1.53880 -2.63791 -0.56748 -1.48439 0.62209 2.69252 -1.39767 0.67662 2.82672 1.78384 -2.42506 -0.27496 -0.99650 3.07631 2.10371 -0.10666 1.06159 -3.03397 -2.03896 0.14866 -1.42043 1.59978 2.76142 -0.50156 0.64065 -2.62233 0.11747 -3.03537 -3.13895 -0.00861 -3.10859 0.04395 1.04320 3.13180 -1.06049 -0.00001 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -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 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00009 -0.00002 0.00000 0.00001 0.00005 -0.00003 0.00001 0.00001 0.00000 0.00001 -0.00003 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00005 0.00004 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00008 0.00004 -0.00021 -0.00001 0.00006 0.00005 -0.00014 -0.00003 0.00009 0.00002 0.00009 -0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00007 -0.00007 -0.00000 0.00004 0.00000 -0.00003 -0.00001 -0.00000 -0.00002 -0.00002 0.00006 -0.00006 -0.00000 0.00001 0.00000 0.00003 0.00003 0.00003 0.00004 -0.00007 0.00015 -0.00009 0.00001 0.00000 -0.00004 -0.00003 -0.00002 0.00004 -0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00014 0.00006 0.00012 -0.00011 -0.00009 -0.00010 0.00012 0.00002 0.00002 0.00017 0.00007 0.00007 0.00012 0.00002 0.00003 -0.00035 -0.00002 -0.00036 -0.00003 -0.00041 -0.00007 0.00026 -0.00004 0.00038 0.00008 0.00035 0.00005 -0.00025 -0.00027 -0.00025 -0.00023 -0.00025 -0.00022 -0.00015 -0.00017 -0.00014 -0.00011 0.00019 -0.00013 0.00017 -0.00018 0.00011 0.00010 0.00038 0.00010 0.00038 0.00014 0.00042 0.00027 0.00023 0.00027 -0.00001 -0.00005 -0.00001 -0.00019 -0.00013 -0.00023 -0.00020 -0.00014 -0.00024 0.00031 -0.00000 0.00032 0.00001 0.00015 -0.00013 0.00014 -0.00014 -0.00031 -0.00023 -0.00029 -0.00021 -0.00023 -0.00015 0.00004 0.00005 0.00011 0.00012 0.00003 0.00002 0.00005 0.00004 0.00005 0.00001 0.00000 0.00000 -0.00009 -0.00002 0.00000 0.00001 0.00005 -0.00003 0.00001 0.00001 0.00000 0.00001 -0.00003 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00005 0.00004 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00008 0.00004 -0.00021 -0.00001 0.00006 0.00005 -0.00014 -0.00003 0.00009 0.00002 0.00009 -0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00007 -0.00007 -0.00000 0.00004 0.00000 -0.00003 -0.00001 -0.00000 -0.00002 -0.00002 0.00006 -0.00006 -0.00000 0.00001 0.00000 0.00003 0.00003 0.00003 0.00004 -0.00007 0.00015 -0.00009 0.00001 0.00000 -0.00004 -0.00003 -0.00002 0.00004 -0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00014 0.00006 0.00012 -0.00011 -0.00009 -0.00010 0.00012 0.00002 0.00002 0.00017 0.00007 0.00007 0.00012 0.00002 0.00003 -0.00035 -0.00002 -0.00036 -0.00003 -0.00041 -0.00007 0.00026 -0.00004 0.00038 0.00008 0.00035 0.00005 -0.00025 -0.00027 -0.00025 -0.00023 -0.00025 -0.00022 -0.00015 -0.00017 -0.00014 -0.00011 0.00019 -0.00013 0.00017 -0.00018 0.00011 0.00010 0.00038 0.00010 0.00038 0.00014 0.00042 0.00027 0.00023 0.00027 -0.00001 -0.00005 -0.00001 -0.00019 -0.00013 -0.00023 -0.00020 -0.00014 -0.00024 0.00031 -0.00000 0.00032 0.00001 0.00015 -0.00013 0.00014 -0.00014 -0.00031 -0.00023 -0.00029 -0.00021 -0.00023 -0.00015 0.00004 0.00005 0.00011 0.00012 0.00003 0.00002 0.00005 0.00004 0.00005 2.97031 2.08054 2.08224 2.75472 2.72631 2.07827 2.09316 2.96094 2.72538 2.07861 2.09573 2.08684 2.08057 2.76118 2.70570 2.10323 2.08525 2.08375 3.05001 2.70918 2.71791 2.79401 2.07568 2.07937 2.06400 2.74153 2.55521 2.29287 2.66934 2.07899 2.07216 2.07921 1.91832 1.91862 1.91351 1.89339 1.97972 1.85622 1.88942 1.92761 2.03195 1.90093 1.88455 1.87133 1.92065 1.84566 2.03003 1.90158 1.87492 1.87307 1.92786 1.84814 1.88350 1.90860 1.99168 1.84220 1.94674 1.88513 2.15398 2.06493 2.05776 1.99426 1.92982 1.92799 1.86634 1.86727 1.87279 2.08343 2.06872 2.13032 1.80497 1.96256 1.92772 1.92325 1.92441 1.91835 2.10534 2.17215 1.99995 1.97303 2.17540 2.13470 2.02270 1.93734 1.85717 1.94006 1.91988 1.88911 1.92052 2.00191 1.91759 1.96581 1.98175 1.91194 1.96749 1.64945 -2.51644 -0.52009 -2.61348 -0.49619 1.50016 -0.46482 1.65248 -2.63436 -0.63291 1.60233 -2.76066 -0.52541 1.49682 -2.55112 1.84459 -1.17190 -0.28831 2.97839 -2.28765 0.97904 2.74825 -1.53928 0.57401 0.62950 2.62516 -1.54474 -1.36506 0.63059 2.74388 -1.91779 1.09918 0.21601 -3.05021 2.22294 -1.04328 0.53381 -1.68292 -1.60628 2.46018 2.66008 0.44335 1.53907 -2.63768 -0.56721 -1.48440 0.62204 2.69250 -1.39785 0.67648 2.82648 1.78364 -2.42521 -0.27521 -0.99619 3.07631 2.10403 -0.10665 1.06174 -3.03411 -2.03882 0.14852 -1.42074 1.59955 2.76113 -0.50177 0.64042 -2.62248 0.11751 -3.03532 -3.13884 -0.00849 -3.10856 0.04397 1.04325 3.13185 -1.06044 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000023 0.000005 0.001131 0.000288 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.370986e-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 1 1 1 1 2 2 2 3 3 3 3 4 4 4 5 6 6 6 7 7 7 19 19 19 20 20 24 24 25 27 27 27 31 33 2 8 9 31 5 10 11 4 5 12 13 14 15 33 6 16 17 18 19 31 33 20 21 22 23 24 25 26 27 28 29 30 32 34 1.5718 1.101 1.1019 1.4578 1.4427 1.0998 1.1076 1.5668 1.4422 1.0999 1.109 1.1043 1.101 1.4612 1.4318 1.113 1.1035 1.1027 1.614 1.4337 1.4382 1.4785 1.0984 1.1004 1.0922 1.4508 1.3522 1.2133 1.4126 1.1002 1.0965 1.1003 1.0151 1.0153 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 2 2 2 8 8 9 1 1 1 5 5 10 4 4 4 5 5 12 3 3 3 14 14 15 2 2 3 5 5 5 16 16 17 19 19 31 7 7 7 20 20 21 19 19 23 20 20 25 24 25 25 25 28 28 29 1 1 7 4 4 7 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 19 19 19 19 19 19 20 20 20 24 24 24 25 27 27 27 27 27 27 31 31 31 33 33 33 8 9 31 9 31 31 5 10 11 10 11 11 5 12 13 12 13 13 14 15 33 15 33 33 3 6 6 16 17 18 17 18 18 31 33 33 20 21 22 21 22 22 23 24 24 25 26 26 27 28 29 30 29 30 30 7 32 32 7 34 34 109.6315 108.4809 113.4417 106.3543 108.2523 110.4411 116.43 108.9174 107.9714 107.2183 110.0398 105.7498 116.3114 108.9534 107.4246 107.3196 110.4544 105.8944 107.917 109.3526 114.1145 105.5519 111.5401 108.0102 123.4151 118.3128 117.8974 114.2659 110.5709 110.465 106.9332 106.9852 107.3012 119.3703 118.5265 122.0619 103.4085 112.4518 110.4496 110.1937 110.2627 109.9151 120.6282 124.4528 114.5897 113.046 124.641 122.3098 115.8918 111.0009 106.4078 111.1569 110.0012 108.2381 110.038 114.6931 109.8664 112.6258 113.5517 109.5511 112.7345 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 8 8 8 9 9 9 31 31 31 2 2 8 8 9 9 1 1 10 10 11 11 5 5 5 12 12 12 13 13 13 4 4 12 12 13 13 3 3 14 14 15 15 2 2 2 3 3 3 31 31 31 33 33 33 19 19 33 33 19 19 31 31 7 7 21 21 22 22 19 19 23 23 20 26 24 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 19 19 19 19 19 19 20 20 20 20 24 24 25 25 2 2 2 2 2 2 2 2 2 31 31 31 31 31 31 5 5 5 5 5 5 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 33 33 33 33 33 33 6 6 6 6 6 6 19 19 19 19 19 19 31 31 31 31 33 33 33 33 20 20 20 20 20 20 24 24 24 24 25 25 27 27 5 10 11 5 10 11 5 10 11 7 32 7 32 7 32 3 6 3 6 3 6 14 15 33 14 15 33 14 15 33 2 6 2 6 2 6 7 34 7 34 7 34 16 17 18 16 17 18 20 21 22 20 21 22 1 32 1 32 4 34 4 34 23 24 23 24 23 24 25 26 25 26 27 27 28 29 94.4997 -144.1823 -29.8003 -149.7513 -28.4333 85.9486 -26.6391 94.6789 -150.9392 -36.2433 91.8079 -158.1537 -30.1026 85.7846 -146.1642 105.6725 -67.1424 -16.5407 170.6444 -131.0931 56.092 157.4775 -88.1788 32.9025 36.0809 150.4247 -88.4941 -78.2039 36.1398 157.2211 -109.8751 62.9678 12.3838 -174.7734 127.3754 -59.7818 30.5796 -96.4456 -92.0392 140.9357 152.4029 25.3778 88.1666 -151.1412 -32.5143 -85.0493 35.643 154.2698 -80.0803 38.7673 161.9589 102.2065 -138.9458 -15.7543 -57.0953 176.2596 120.5338 -6.1113 60.8243 -173.8339 -116.824 8.5177 -81.3846 91.6606 158.2175 -28.7373 36.7065 -150.2482 6.7308 -173.9138 -179.8488 -0.4934 -178.1094 2.5181 59.7711 179.4389 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 320 A 305 A 305 508 320 58 57 1078.5161235891 34 34 34 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 -0.0309030846 0.000000 1.571818 0.000000 3.601278 2.540296 0.000000 4.175485 3.628345 1.566833 0.000000 2.563343 1.442709 1.442222 2.556992 0.000000 3.186225 2.467968 2.462191 3.136176 1.431793 0.000000 2.434487 2.817710 2.774510 2.425481 2.724239 3.494148 0.000000 1.100972 2.201264 4.358325 4.949729 3.103376 3.293079 3.329496 0.000000 1.101875 2.186951 4.279638 4.878611 3.415267 4.226654 2.919944 1.763363 0.000000 2.191114 1.099773 2.587378 3.750592 2.056757 3.360791 2.993354 3.031390 2.334527 0.000000 2.184457 1.107649 3.320368 4.564483 2.098449 2.732213 3.895489 2.345944 2.677154 1.760027 0.000000 3.670952 2.580236 1.099949 2.187327 2.057771 3.361849 2.891259 4.580933 4.081016 2.153202 3.392591 0.000000 4.550518 3.306942 1.109004 2.173826 2.104227 2.757879 3.861718 5.200101 5.253408 3.348612 3.839469 1.762931 0.000000 4.933378 4.358920 2.176936 1.104307 3.430199 4.181274 2.974844 5.816669 5.473301 4.226983 5.323672 2.354645 2.603972 0.000000 4.909440 4.329300 2.193272 1.100987 3.045454 3.164751 3.305747 5.529850 5.735195 4.610510 5.141805 3.046354 2.355424 1.756024 0.000000 3.227976 3.030335 3.000841 3.141706 2.144434 1.112987 3.233509 3.251518 4.322238 3.965185 3.459233 3.931756 3.464691 4.245385 3.076261 0.000000 4.250927 3.353780 2.602560 3.214848 2.092358 1.103472 4.242890 4.391636 5.263448 4.091204 3.550623 3.615089 2.455999 4.187508 2.928586 1.780957 0.000000 3.253738 2.593346 3.357836 4.205282 2.090441 1.102678 4.233442 3.041601 4.253426 3.594396 2.413149 4.109455 3.590207 5.231055 4.264245 1.780918 1.776872 0.000000 3.121148 3.301189 3.245420 3.123024 3.533674 4.677858 1.614002 4.193345 3.077588 2.903230 4.363251 2.777146 4.289943 3.160023 4.195422 4.673924 5.360631 5.363647 0.000000 3.922398 4.534044 4.645382 4.227646 4.864437 5.861402 2.428536 4.881207 3.678011 4.210858 5.560668 4.239567 5.694878 4.172480 5.218552 5.652217 6.599885 6.518467 1.478525 0.000000 2.797565 2.873132 3.436283 3.778977 3.495449 4.765756 2.272792 3.882453 2.481132 2.239867 3.808548 2.777760 4.438618 3.885825 4.858723 4.945207 5.518671 5.274306 1.098399 2.124551 0.000000 3.994177 3.814170 3.023167 2.776159 3.746477 4.940849 2.248729 5.073478 4.042290 3.292846 4.867121 2.428425 3.920696 2.457337 3.850657 5.029189 5.425520 5.747141 1.100357 2.126898 1.800181 0.000000 4.825823 5.401315 5.111696 4.377735 5.514182 6.418253 2.951376 5.750556 4.699689 5.122228 6.468523 4.787736 6.103740 4.165813 5.269460 6.104559 7.059861 7.179493 2.241523 1.092220 3.094100 2.496119 0.000000 4.059006 5.007904 5.728917 5.486218 5.657732 6.597822 3.339559 4.855785 3.514864 4.726670 5.895476 5.309599 6.813787 5.557356 6.463712 6.355879 7.472954 7.073201 2.591851 1.450760 2.739540 3.438762 2.148572 0.000000 3.387548 4.368908 5.633457 5.750750 5.316240 6.296955 3.523043 4.116239 2.567071 4.059405 5.089099 5.160350 6.702513 5.958532 6.755900 6.200472 7.250900 6.589477 2.820349 2.338563 2.449241 3.794643 3.306531 1.352153 0.000000 5.092126 6.160603 6.849182 6.457479 6.784737 7.637226 4.332821 5.773819 4.545917 5.929174 7.029129 6.469694 7.935471 6.488629 7.380075 7.287189 8.517326 8.109786 3.710142 2.361786 3.944752 4.462627 2.594965 1.213328 2.248172 0.000000 4.195929 5.335607 6.914924 7.091362 6.431988 7.309122 4.785332 4.651240 3.253979 5.103310 5.868897 6.465023 7.974936 7.353715 8.065561 7.182150 8.326404 7.446377 4.229193 3.636478 3.787221 5.204454 4.484432 2.343445 1.412562 2.629447 0.000000 4.369251 5.716529 7.314620 7.358096 6.739507 7.439363 4.954484 4.647209 3.584146 5.677229 6.246811 7.009626 8.399222 7.709084 8.255133 7.162898 8.486430 7.551540 4.704074 3.986709 4.442575 5.736960 4.709283 2.650199 2.078351 2.637482 1.100153 0.000000 4.038012 5.085100 6.964362 7.369738 6.337210 7.209411 5.138255 4.371088 2.991109 4.851953 5.428515 6.497755 7.972010 7.704067 8.337892 7.202812 8.245067 7.202817 4.634745 4.355641 3.974911 5.608598 5.311193 3.239432 2.018116 3.700002 1.096540 1.799440 0.000000 5.218542 6.257185 7.681614 7.807368 7.330418 8.285790 5.575162 5.732003 4.257860 5.898467 6.811832 7.133660 8.731850 7.942774 8.817372 8.174945 9.273436 8.469165 4.791848 4.013367 4.371792 5.653143 4.734807 2.659669 2.080342 2.622038 1.100272 1.782865 1.799942 0.000000 1.457785 2.533542 3.546338 3.533394 2.859162 3.319064 1.433662 2.083902 2.112165 3.064271 3.402937 3.770728 4.589734 4.285648 4.232661 2.942939 4.302868 3.735198 2.632516 3.175844 2.846550 3.517410 3.863663 3.517441 3.343205 4.438577 4.316382 4.299939 4.519450 5.283007 0.000000 2.039960 2.995568 3.822862 3.676521 3.021976 3.017944 2.050777 2.211254 2.898386 3.754002 3.719064 4.298889 4.759842 4.573920 4.131969 2.355664 3.976537 3.404238 3.511270 4.007535 3.822425 4.283929 4.539223 4.363308 4.266546 5.160561 5.123803 4.946732 5.315457 6.118033 1.015139 0.000000 3.571361 3.614955 2.541791 1.461167 2.900347 3.341536 1.438237 4.306822 4.257756 3.889548 4.640248 3.023866 3.424901 2.130577 2.083740 2.938132 3.775783 4.314880 2.625012 3.379790 3.458634 2.713454 3.498039 4.512390 4.901793 5.375212 6.173503 6.276316 6.570591 6.923199 2.512573 2.605462 0.000000 3.739553 3.906277 3.037536 2.039297 3.093137 3.078705 2.056207 4.242500 4.580331 4.421362 4.817157 3.747231 3.793900 2.892180 2.187883 2.383931 3.492748 4.016582 3.506483 4.144102 4.265155 3.714174 4.239785 5.117753 5.465866 5.898428 6.629591 6.589215 7.000588 7.454966 2.611386 2.298067 1.015292 0.000000 C9H19BN3O2(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 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.3405,1.7639,-.3281;-1.4897,1.6326,.7362;-2.7305,-.565,1.026;-2.4574,-1.8082,.1123;-2.5662,.729,.4107;-3.4293,1.0661,-.6808;-.4011,-.6652,-.478;-.5432,2.622,-.9874;.5994,1.993,.1993;-1.0567,1.2935,1.6885;-1.8912,2.6461,.9325;-2.0546,-.6035,1.893;-3.7557,-.6724,1.4351;-2.2182,-2.6649,.7668;-3.3848,-2.0868,-.4115;-3.0768,.7024,-1.6719;-4.4367,.6441,-.5232;-3.541,2.1603,-.7603;.4774,-1.0169,.8296;1.7561,-1.4978,.2644;.6507,-.1392,1.4669;-.0052,-1.8148,1.4137;1.8564,-2.5263,-.0893;2.9045,-.6527,-.0034;2.7486,.6116,.45;3.9163,-1.0208,-.5629;3.8155,1.4983,.1842;3.9881,1.5943,-.8981;3.5245,2.4681,.6051;4.7482,1.1489,.6519;-.1816,.5769,-1.1593;-.7444,.6662,-1.9995;-1.4181,-1.594,-.8923;-1.8474,-1.3374,-1.7758; 1.1523861 0.3653931 0.3141840 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= 319 319 319 319 319 MxSgAt= 34 MxSgA2= 34. 1 open 1 1 1 -693.244987180194 -693.244987180 1 0.7585 6.859700767128e+02 -3.769646447911e+03 1.311946163513e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572652266 LenY= 1572549425 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. 0.7585 Using compressed storage, NAtomX= 34. Will process 35 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111 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. 10245 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 102 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= 102 NMatS0= 102 NMatT0= 0 NMatD0= 102 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 105 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 102 vectors produced by pass 0 Test12= 2.85D-14 1.00D-09 XBig12= 1.10D+02 2.73D+00. AX will form 102 AO Fock derivatives at one time. 102 vectors produced by pass 1 Test12= 2.85D-14 1.00D-09 XBig12= 9.79D+00 6.17D-01. 102 vectors produced by pass 2 Test12= 2.85D-14 1.00D-09 XBig12= 5.36D-01 2.62D-01. 102 vectors produced by pass 3 Test12= 2.85D-14 1.00D-09 XBig12= 1.30D-02 2.01D-02. 102 vectors produced by pass 4 Test12= 2.85D-14 1.00D-09 XBig12= 1.46D-04 1.09D-03. 102 vectors produced by pass 5 Test12= 2.85D-14 1.00D-09 XBig12= 1.14D-06 8.55D-05. 101 vectors produced by pass 6 Test12= 2.85D-14 1.00D-09 XBig12= 8.65D-09 9.47D-06. 46 vectors produced by pass 7 Test12= 2.85D-14 1.00D-09 XBig12= 7.34D-11 5.80D-07. 4 vectors produced by pass 8 Test12= 2.85D-14 1.00D-09 XBig12= 6.13D-13 5.11D-08. 3 vectors produced by pass 9 Test12= 2.85D-14 1.00D-09 XBig12= 5.37D-15 4.34D-09. InvSVY: IOpt=1 It= 1 EMax= 3.96D-15 Solved reduced A of dimension 766 with 105 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 130.92 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 155.270 5.200 131.801 -2.225 -1.408 105.692 147.342 2.149 140.741 -4.060 0.873 127.807 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 C C C C N C B H H H H H H H H H H H C C H H H C O O C H H H N H N H 13 13 13 13 14 13 11 1 1 1 1 1 1 1 1 1 1 1 13 13 1 1 1 13 17 17 13 1 1 1 14 1 14 1 0.00264 -0.00001 -0.00015 0.00134 0.00028 -0.00007 0.05167 0.00005 0.00016 0.00001 -0.00001 0.00003 -0.00001 -0.00005 -0.00003 0.00004 0.00002 0.00001 -0.02499 0.15200 0.00639 0.00892 -0.01170 -0.05252 -0.00249 0.06182 -0.00180 0.00087 0.00002 0.00093 -0.00195 0.00015 -0.00580 0.00078 2.97017 -0.01623 -0.16869 1.50118 0.09157 -0.07602 74.11340 0.23623 0.70329 0.03439 -0.03461 0.13466 -0.06585 -0.22560 -0.13799 0.18488 0.08228 0.05144 -28.09177 170.87747 28.57413 39.87818 -52.29082 -59.03966 1.50910 -37.47598 -2.02886 3.91106 0.07637 4.16960 -0.63010 0.66087 -1.87296 3.48036 1.05983 -0.00579 -0.06019 0.53566 0.03267 -0.02713 26.44551 0.08429 0.25095 0.01227 -0.01235 0.04805 -0.02350 -0.08050 -0.04924 0.06597 0.02936 0.01836 -10.02384 60.97333 10.19596 14.22952 -18.65866 -21.06682 0.53849 -13.37236 -0.72395 1.39556 0.02725 1.48782 -0.22483 0.23582 -0.66832 1.24188 0.99074 -0.00541 -0.05627 0.50074 0.03054 -0.02536 24.72157 0.07880 0.23459 0.01147 -0.01155 0.04492 -0.02196 -0.07525 -0.04603 0.06167 0.02745 0.01716 -9.37041 56.99859 9.53130 13.30193 -17.44234 -19.69351 0.50338 -12.50064 -0.67675 1.30459 0.02547 1.39083 -0.21018 0.22044 -0.62475 1.16092 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 -0.002156 0.001003 0.003132 0.003919 0.002900 0.001205 -0.016832 -0.000715 -0.001666 0.000136 0.000126 0.002641 0.001539 0.002739 0.002016 0.001126 0.000971 0.000580 -0.002634 -0.283288 -0.002822 0.007688 -0.050148 0.027361 -0.016284 -0.163742 -0.001663 -0.001157 -0.001038 0.000619 0.015731 0.000931 -0.000140 0.002236 0.004967 0.000913 -0.001590 -0.002403 -0.000893 -0.000425 -0.030785 0.001842 0.004277 0.000774 0.000729 -0.002067 -0.000843 -0.000922 -0.000988 -0.000570 -0.000425 -0.000026 -0.028807 -0.362515 0.004620 -0.004459 0.053643 0.004497 -0.024787 -0.288080 0.002999 0.003180 0.002733 0.001644 -0.012669 -0.001522 -0.001090 -0.001750 -0.002811 -0.001916 -0.001542 -0.001516 -0.002007 -0.000780 0.047617 -0.001127 -0.002611 -0.000911 -0.000855 -0.000574 -0.000697 -0.001817 -0.001028 -0.000556 -0.000546 -0.000554 0.031441 0.645803 -0.001798 -0.003229 -0.003495 -0.031858 0.041071 0.451822 -0.001337 -0.002022 -0.001696 -0.002263 -0.003063 0.000592 0.001230 -0.000486 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 -0.003625 -0.002610 -0.000721 0.001906 -0.003120 -0.000991 -0.002277 -0.001444 -0.001526 -0.002562 -0.001306 -0.000969 -0.000245 0.001944 0.000719 -0.000884 -0.000485 -0.000821 -0.014362 -0.118374 -0.006399 0.005619 -0.011805 0.014544 -0.008719 -0.104542 0.001945 0.002272 0.001523 0.003010 -0.004168 -0.002055 0.003527 0.000228 -0.000214 -0.000976 -0.001293 -0.001088 -0.001312 0.000454 0.021835 0.000344 0.000226 -0.001305 -0.000279 -0.002499 -0.000601 -0.000520 0.000437 0.000872 0.000187 0.000217 0.025768 0.429776 -0.005579 -0.008993 0.014910 -0.021000 0.049649 0.378762 0.001031 -0.001039 0.000133 0.000832 -0.014302 0.003062 0.002162 0.002956 0.001132 0.000691 0.000034 -0.000690 0.000762 -0.000226 -0.003009 -0.000906 0.000273 0.001740 0.000337 0.000305 0.000036 -0.000459 0.000078 -0.000382 -0.000062 -0.000166 -0.014463 -0.302769 0.007883 -0.002467 0.022861 0.009864 -0.027741 -0.218535 0.000229 -0.001367 0.000624 0.001453 -0.002798 -0.002621 0.005765 0.000138 0.8719 0.3995 -0.2832 0.307 0.0045 0.9517 -0.3815 0.9167 0.1187 -0.0037 -0.0029 0.0066 -0.503 -0.386 0.889 -0.179 -0.138 0.317 -0.168 -0.129 0.296 1 C 13 0.3549 0.0904 0.9305 0.6159 0.7262 -0.3055 0.7034 -0.6815 -0.2021 -0.0022 -0.0016 0.0038 -0.298 -0.213 0.512 -0.106 -0.076 0.183 -0.099 -0.071 0.171 2 C 13 0.2793 0.4734 0.8354 -0.002 0.8703 -0.4925 0.9602 -0.1359 -0.244 -0.002 -0.0016 0.0036 -0.262 -0.216 0.478 -0.094 -0.077 0.171 -0.088 -0.072 0.159 3 C 13 -0.2145 0.9381 0.2718 0.2572 -0.2142 0.9423 0.9423 0.272 -0.1953 -0.003 -0.0017 0.0047 -0.408 -0.222 0.63 -0.145 -0.079 0.225 -0.136 -0.074 0.21 4 C 13 0.4776 0.8762 -0.0636 0.2163 -0.0471 0.9752 0.8515 -0.4796 -0.212 -0.0026 -0.0023 0.005 -0.102 -0.09 0.192 -0.036 -0.032 0.069 -0.034 -0.03 0.064 5 N 14 0.2922 0.8342 0.4676 -0.3588 -0.3576 0.8622 0.8865 -0.4197 0.1948 -9.0E-4 -9.0E-4 0.0018 -0.121 -0.117 0.238 -0.043 -0.042 0.085 -0.04 -0.039 0.079 6 C 13 0.1719 0.9851 -0.01 0.9403 -0.1671 -0.2965 0.2938 -0.0416 0.955 -0.0312 -0.0233 0.0545 -5.334 -3.992 9.325 -1.903 -1.424 3.328 -1.779 -1.331 3.111 7 B 11 0.5629 0.4425 0.6981 0.726 0.139 -0.6735 -0.3951 0.8859 -0.243 -0.0014 -0.0013 0.0027 -0.76 -0.699 1.459 -0.271 -0.249 0.521 -0.253 -0.233 0.487 8 H 1 -0.3597 -0.1143 0.926 0.9033 0.206 0.3763 -0.2338 0.9719 0.0292 -0.0027 -0.0019 0.0047 -1.458 -1.024 2.482 -0.52 -0.365 0.886 -0.486 -0.342 0.828 9 H 1 0.5687 0.7209 -0.3961 0.5661 0.0064 0.8243 -0.5968 0.693 0.4044 -0.0022 -0.0018 0.004 -1.175 -0.957 2.132 -0.419 -0.341 0.761 -0.392 -0.319 0.711 10 H 1 0.4471 0.1739 0.8774 0.6497 0.611 -0.4522 -0.6148 0.7723 0.1602 -9.0E-4 -9.0E-4 0.0018 -0.496 -0.485 0.981 -0.177 -0.173 0.35 -0.166 -0.162 0.327 11 H 1 0.3371 0.8827 0.3275 0.3618 -0.4426 0.8205 0.8692 -0.1581 -0.4685 -0.0023 -0.0018 0.0042 -1.24 -0.982 2.222 -0.442 -0.35 0.793 -0.413 -0.328 0.741 12 H 1 0.2154 0.817 0.5349 0.1464 -0.5686 0.8095 0.9655 -0.0961 -0.2421 -9.0E-4 -8.0E-4 0.0017 -0.472 -0.443 0.915 -0.168 -0.158 0.326 -0.157 -0.148 0.305 13 H 1 -0.1483 0.58 0.801 -0.3882 0.7108 -0.5866 0.9095 0.398 -0.1198 -0.0021 -0.0016 0.0037 -1.096 -0.856 1.952 -0.391 -0.306 0.696 -0.365 -0.286 0.651 14 H 1 -0.249 0.9253 0.2862 -0.0619 -0.3101 0.9487 0.9665 0.2185 0.1344 -0.0012 -0.0011 0.0022 -0.618 -0.578 1.195 -0.22 -0.206 0.426 -0.206 -0.193 0.399 15 H 1 0.2453 0.9088 0.3374 -0.455 -0.1994 0.8679 0.856 -0.3665 0.3646 -0.001 -9.0E-4 0.0019 -0.507 -0.494 1.001 -0.181 -0.176 0.357 -0.169 -0.165 0.334 16 H 1 0.2345 0.8955 0.3783 -0.2159 -0.3314 0.9184 0.9478 -0.297 0.1156 -6.0E-4 -6.0E-4 0.0011 -0.309 -0.303 0.611 -0.11 -0.108 0.218 -0.103 -0.101 0.204 17 H 1 0.3317 0.6591 0.675 -0.4835 -0.4956 0.7215 0.8101 -0.5657 0.1543 -6.0E-4 -6.0E-4 0.0012 -0.325 -0.313 0.637 -0.116 -0.112 0.227 -0.108 -0.104 0.213 18 H 1 0.3593 0.9311 0.063 0.8015 -0.2734 -0.5318 0.4779 -0.2416 0.8445 -0.0353 -0.0148 0.0502 -4.741 -1.99 6.731 -1.692 -0.71 2.402 -1.581 -0.664 2.245 19 C 13 0.9275 -0.0331 -0.3724 0.1229 0.9677 0.2199 0.3531 -0.2497 0.9016 -0.4516 -0.4464 0.898 -60.601 -59.896 120.498 -21.624 -21.372 42.997 -20.214 -19.979 40.194 20 C 13 0.6234 -0.1616 0.765 0.6421 0.6641 -0.383 -0.4462 0.73 0.5178 -0.008 -0.0061 0.0141 -4.274 -3.262 7.535 -1.525 -1.164 2.689 -1.426 -1.088 2.513 21 H 1 0.5375 -0.2608 0.8019 -0.1237 0.9163 0.3809 0.8341 0.3039 -0.4603 -0.0085 -0.0062 0.0147 -4.511 -3.331 7.842 -1.61 -1.188 2.798 -1.505 -1.111 2.616 22 H 1 0.9303 0.1661 -0.3272 0.3624 -0.2763 0.8901 -0.0575 0.9466 0.3172 -0.0575 -0.0045 0.062 -30.679 -2.412 33.091 -10.947 -0.861 11.808 -10.233 -0.805 11.038 23 H 1 0.3293 -0.2892 0.8988 -0.2316 0.8981 0.3738 0.9154 0.3313 -0.2288 -0.0427 0.0049 0.0379 -5.733 0.651 5.082 -2.046 0.232 1.813 -1.912 0.217 1.695 24 C 13 0.7562 -0.3696 -0.5399 0.4556 0.8897 0.029 0.4696 -0.2679 0.8412 -0.0475 -0.0302 0.0776 3.435 2.182 -5.617 1.226 0.779 -2.004 1.146 0.728 -1.874 25 O 17 0.2071 0.9642 0.1654 0.8849 -0.1126 -0.4521 0.4173 -0.24 0.8765 -0.348 -0.344 0.692 25.182 24.888 -50.07 8.986 8.881 -17.866 8.4 8.302 -16.702 26 O 17 0.8236 -0.2521 -0.5081 0.4432 -0.273 0.8538 0.354 0.9284 0.1131 -0.0029 -9.0E-4 0.0038 -0.388 -0.117 0.506 -0.139 -0.042 0.18 -0.13 -0.039 0.169 27 C 13 0.5965 -0.044 0.8014 0.6985 -0.4634 -0.5453 0.3954 0.8851 -0.2457 -0.0027 -0.0019 0.0046 -1.451 -0.989 2.44 -0.518 -0.353 0.871 -0.484 -0.33 0.814 28 H 1 0.2801 -0.2225 0.9338 0.9019 -0.2721 -0.3354 0.3287 0.9362 0.1245 -0.0018 -0.0015 0.0034 -0.963 -0.825 1.788 -0.344 -0.294 0.638 -0.321 -0.275 0.596 29 H 1 0.1113 -0.379 0.9187 0.7777 -0.5424 -0.318 0.6188 0.7498 0.2344 -0.0028 -0.0018 0.0046 -1.474 -0.971 2.445 -0.526 -0.347 0.872 -0.492 -0.324 0.816 30 H 1 0.3361 0.781 0.5263 0.3298 -0.6211 0.711 0.8822 -0.0654 -0.4663 -0.0163 -0.0073 0.0236 -0.631 -0.28 0.91 -0.225 -0.1 0.325 -0.21 -0.093 0.304 31 N 14 -0.0054 0.8269 0.5624 0.7714 0.3613 -0.5238 0.6363 -0.431 0.6398 -0.0033 -0.0021 0.0054 -1.756 -1.126 2.882 -0.627 -0.402 1.028 -0.586 -0.376 0.961 32 H 1 -0.2716 0.7969 -0.5396 0.8542 -0.0587 -0.5166 0.4433 0.6012 0.6648 -0.0062 -0.0017 0.0079 -0.239 -0.065 0.304 -0.085 -0.023 0.109 -0.08 -0.022 0.101 33 N 14 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT5461.200S 2024-10-25T15:42:08.000 -19.28657 -19.22523 -14.44016 -14.41769 -14.41680 -10.40464 -10.34355 -10.33043 -10.32938 -10.32837 -10.32732 -10.32234 -10.31996 -10.28167 -6.86311 -1.18520 -1.09044 -1.03164 -0.97802 -0.96450 -0.88386 -0.82801 -0.82286 -0.80431 -0.76404 -0.73191 -0.69972 -0.66251 -0.64272 -0.61039 -0.60460 -0.58288 -0.57536 -0.56752 -0.56375 -0.55916 -0.54393 -0.51610 -0.51285 -0.50436 -0.49817 -0.49043 -0.48438 -0.48014 -0.47559 -0.47314 -0.45381 -0.44729 -0.44429 -0.43074 -0.41653 -0.41115 -0.37943 -0.36257 -0.34822 -0.29997 -0.28750 -0.28082 0.09674 0.10359 0.14049 0.14377 0.15085 0.15524 0.16291 0.17560 0.18400 0.18678 0.19511 0.20169 0.20516 0.21318 0.22493 0.23287 0.23454 0.24286 0.24792 0.25212 0.25591 0.26208 0.27696 0.28658 0.30516 0.31947 0.32093 0.32853 0.33324 0.35882 0.36485 0.37677 0.39697 0.41278 0.42238 0.44426 0.46414 0.48206 0.50764 0.51951 0.52538 0.53647 0.54515 0.54866 0.55511 0.56777 0.58356 0.58701 0.59727 0.60620 0.61175 0.62386 0.64510 0.65848 0.66600 0.67727 0.68553 0.69670 0.70698 0.71794 0.72186 0.72743 0.72796 0.73233 0.73431 0.74325 0.74960 0.75254 0.75395 0.75582 0.75922 0.76354 0.76723 0.77245 0.77991 0.78733 0.79186 0.80484 0.80771 0.81494 0.83201 0.83606 0.84460 0.86427 0.88190 0.90038 0.90489 0.92074 0.94774 0.96026 0.97462 0.98752 1.00175 1.03382 1.06002 1.07374 1.08342 1.09642 1.11709 1.12823 1.14631 1.16461 1.18148 1.18329 1.20865 1.23027 1.24207 1.27338 1.29009 1.30424 1.32332 1.35304 1.36708 1.37195 1.38057 1.39097 1.40307 1.42989 1.45240 1.46647 1.48223 1.51748 1.52943 1.54350 1.54936 1.56915 1.58695 1.59341 1.60657 1.62155 1.63403 1.64273 1.65712 1.68917 1.70350 1.73246 1.75775 1.78132 1.79268 1.80432 1.80912 1.82388 1.83489 1.83885 1.85990 1.87541 1.87676 1.88017 1.89067 1.90034 1.90221 1.91830 1.92294 1.93300 1.93487 1.93826 1.94871 1.95073 1.95639 1.96972 1.98489 1.98889 1.99641 2.00759 2.00994 2.01785 2.02076 2.03683 2.04360 2.05328 2.07862 2.09528 2.11203 2.12170 2.13353 2.14693 2.17828 2.19384 2.19895 2.20801 2.23866 2.25876 2.28099 2.28510 2.29105 2.30791 2.32826 2.36010 2.38395 2.39554 2.41037 2.41766 2.42940 2.45240 2.47899 2.48837 2.51705 2.53319 2.54781 2.55626 2.56838 2.58516 2.61013 2.66665 2.69435 2.72147 2.73778 2.74507 2.74629 2.75790 2.76051 2.77141 2.78590 2.80055 2.81273 2.87192 2.88380 2.90279 2.91127 2.92534 2.96226 2.96947 2.99902 3.00663 3.01341 3.05035 3.05153 3.07106 3.07350 3.08246 3.08774 3.11672 3.12740 3.14439 3.16172 3.17086 3.20083 3.22484 3.29107 3.30932 3.31211 3.32032 3.44780 3.50662 3.55213 3.73687 3.77235 -19.28613 -19.22103 -14.44015 -14.41774 -14.41666 -10.40571 -10.34358 -10.33043 -10.32939 -10.32834 -10.32732 -10.32230 -10.31032 -10.28187 -6.86201 -1.18281 -1.08359 -1.03149 -0.97752 -0.96417 -0.86590 -0.82794 -0.82278 -0.80221 -0.76376 -0.71762 -0.69960 -0.66233 -0.63930 -0.60778 -0.60354 -0.57964 -0.57232 -0.56548 -0.56228 -0.55739 -0.53804 -0.51564 -0.50832 -0.50229 -0.49631 -0.48776 -0.48369 -0.47451 -0.47285 -0.46426 -0.45317 -0.44339 -0.43760 -0.42817 -0.41220 -0.40769 -0.36563 -0.36025 -0.34189 -0.29871 -0.28483 -0.01873 0.10368 0.10440 0.14077 0.14398 0.15548 0.16295 0.17221 0.18212 0.18478 0.18970 0.19545 0.20455 0.20590 0.21379 0.22542 0.23362 0.23553 0.24414 0.24908 0.25257 0.25705 0.26242 0.27846 0.28667 0.30555 0.31973 0.32104 0.32877 0.33632 0.36026 0.36655 0.38296 0.39776 0.41524 0.42332 0.44585 0.46902 0.48276 0.50946 0.52081 0.52732 0.53922 0.54589 0.54955 0.55759 0.57089 0.58413 0.59054 0.60216 0.60706 0.61413 0.62996 0.64746 0.66127 0.66794 0.67745 0.68873 0.69852 0.70731 0.72061 0.72390 0.72865 0.73010 0.73555 0.73663 0.74528 0.75014 0.75314 0.75452 0.75667 0.76140 0.76492 0.76953 0.77353 0.78169 0.79133 0.79271 0.80650 0.80956 0.81736 0.83276 0.83783 0.84625 0.86651 0.88259 0.90486 0.90572 0.92228 0.94881 0.96126 0.97673 0.98877 1.00231 1.03451 1.06274 1.07573 1.08728 1.09716 1.12063 1.13188 1.14893 1.16968 1.18319 1.18638 1.20978 1.23165 1.24345 1.27657 1.29172 1.30558 1.32519 1.35432 1.36811 1.37579 1.38205 1.39238 1.40468 1.44121 1.45328 1.46858 1.48306 1.51827 1.53112 1.54576 1.55538 1.57365 1.58727 1.59627 1.60687 1.62300 1.63418 1.64376 1.65779 1.69040 1.70433 1.73367 1.76017 1.78401 1.79484 1.80495 1.81111 1.82568 1.83573 1.84000 1.86034 1.87581 1.87895 1.88191 1.89180 1.90087 1.90283 1.92329 1.92530 1.93448 1.93814 1.94220 1.94988 1.95253 1.96044 1.97439 1.98902 1.99099 1.99663 2.00852 2.01038 2.01847 2.02270 2.03972 2.04623 2.05415 2.08372 2.09682 2.11390 2.12275 2.13817 2.15002 2.18031 2.19403 2.20154 2.20948 2.24658 2.26143 2.28133 2.29079 2.30839 2.31621 2.32969 2.36355 2.38525 2.39951 2.41145 2.41796 2.43001 2.45341 2.48001 2.49196 2.51772 2.53525 2.54851 2.55865 2.56900 2.58582 2.61734 2.67077 2.70349 2.72812 2.74535 2.74731 2.74981 2.75985 2.76225 2.77277 2.78612 2.80095 2.82255 2.87240 2.88509 2.90430 2.91218 2.92815 2.96550 2.97151 3.00059 3.00858 3.01401 3.05181 3.05255 3.07195 3.07387 3.08390 3.09142 3.11817 3.12762 3.14466 3.16192 3.17103 3.20366 3.22685 3.29405 3.30945 3.31251 3.32781 3.44806 3.50692 3.55476 3.73833 3.77642 2-A. -1.64585945e+00 9.16796685e-01 2.37726919e-01 1.55269755e+02 5.20026344e+00 1.31801360e+02 -2.22457742e+00 -1.40796644e+00 1.05692306e+02 -9.5622 -7.3557 -0.0008 -0.0005 0.0008 7.2676 32.6763 49.2688 61.3483 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 32.5467 49.2385 61.3440 115.3359 125.5523 140.6944 145.7364 147.6023 165.1327 169.8264 186.5385 203.9834 241.0735 263.7546 291.0555 340.4307 384.3484 408.5616 427.3927 434.2008 517.2987 552.5716 608.7988 642.8368 654.9794 681.3550 715.0748 719.1415 772.1605 778.2278 805.2273 815.2437 841.7970 857.7892 872.5801 892.6679 975.3739 1049.3649 1057.6655 1065.2237 1097.3746 1110.0553 1136.9659 1151.0611 1157.1715 1172.1258 1184.7044 1196.3277 1214.9677 1219.7405 1226.9736 1262.3002 1268.0443 1277.2692 1303.7065 1316.8620 1365.1157 1368.9775 1372.7126 1389.9531 1410.2136 1415.8610 1417.2747 1444.8379 1449.1387 1460.1923 1461.2879 1466.7012 1469.9166 1473.2936 1477.9507 1483.1821 1490.7227 1493.5669 1504.0630 1517.3640 1796.7297 2942.7720 2991.2897 3005.8586 3046.3956 3055.6797 3057.4557 3066.3097 3082.6134 3104.0231 3114.0388 3116.5912 3124.3203 3131.3678 3153.6399 3165.4797 3190.2557 3228.9523 3600.4541 3602.4374 3.9980 4.3019 4.7133 3.5834 1.6941 1.2639 2.1928 3.5354 1.7708 2.2148 2.4318 3.4750 3.1938 2.8625 4.8307 3.6759 2.0609 2.2973 2.3514 2.1942 3.7192 3.5355 1.5543 2.9549 3.2056 2.6911 1.3378 3.8635 2.8400 3.0075 1.8953 1.5848 2.0776 2.3873 2.9532 2.7366 2.7700 1.6672 1.9081 1.7640 2.3131 2.2456 1.3548 3.4296 2.1011 1.7328 1.3017 1.7856 1.8021 1.5852 1.2022 1.2382 1.3390 2.0962 1.6741 2.3124 1.2407 1.5994 1.2332 1.3094 2.2051 1.7052 1.8847 1.1698 1.3350 1.1460 1.1703 1.0521 1.1207 1.1762 1.1741 1.1236 1.1669 1.1614 1.1458 1.8315 11.1534 1.0563 1.0723 1.0738 1.0659 1.0785 1.0321 1.0619 1.0600 1.1008 1.1003 1.1046 1.0987 1.0998 1.1073 1.1049 1.1077 1.0897 1.0748 1.0745 0.0025 0.0061 0.0105 0.0281 0.0157 0.0147 0.0274 0.0454 0.0285 0.0376 0.0499 0.0852 0.1094 0.1173 0.2411 0.2510 0.1794 0.2259 0.2531 0.2437 0.5864 0.6360 0.3394 0.7194 0.8103 0.7361 0.4030 1.1772 0.9976 1.0732 0.7240 0.6206 0.8674 1.0350 1.3248 1.2848 1.5526 1.0817 1.2576 1.1793 1.6412 1.6303 1.0318 2.6773 1.6577 1.4026 1.0765 1.5057 1.5674 1.3895 1.0664 1.1625 1.2685 2.0149 1.6764 2.3626 1.3622 1.7661 1.3691 1.4905 2.5837 2.0140 2.2304 1.4388 1.6518 1.4396 1.4723 1.3334 1.4267 1.5042 1.5110 1.4563 1.5278 1.5264 1.5271 2.4845 21.2140 5.3896 5.6531 5.7161 5.8282 5.9332 5.6845 5.8827 5.9345 6.2491 6.2863 6.3215 6.3191 6.3538 6.4887 6.5230 6.6426 6.6941 8.2087 8.2161 0.4388 0.0532 1.0274 0.3821 0.6479 2.3165 0.2981 0.4171 0.2879 2.7661 3.4642 2.4530 6.0052 3.6200 20.2992 14.2103 0.3004 3.6985 7.6441 13.0009 6.3035 10.7960 4.4923 4.7055 12.2435 12.4714 43.4492 2.8777 53.3751 87.9514 99.3302 7.8796 5.5541 13.5071 4.8493 21.2765 0.3866 20.8271 2.4042 1.3467 1.8017 21.2410 19.0465 95.9615 17.7165 46.5214 0.5993 38.8353 91.4548 39.3635 1.3674 19.9089 26.8489 131.4908 114.5947 196.1763 14.4961 62.1106 1.5594 1.3996 72.5520 20.4352 60.4721 4.6637 14.8617 6.0221 9.4406 8.7272 6.9437 3.1538 48.7932 6.4620 3.8605 7.6597 1.3374 281.5067 256.1025 95.6913 71.1512 71.7909 68.4190 51.7016 34.9383 50.1310 13.2760 7.2531 1.7509 17.4109 14.2460 49.4131 17.2057 5.0160 12.4756 3.5298 2.0272 2.8113 0.03 -0.07 -0.15 0.09 0.01 -0.08 0.05 0.06 0.08 -0.06 0.02 0.10 0.04 0.03 0.02 -0.02 0.02 0.07 -0.06 -0.07 -0.07 0.03 -0.08 -0.17 0.07 -0.08 -0.21 0.13 0.04 -0.09 0.13 0.03 -0.10 0.11 0.06 0.03 0.07 0.10 0.15 -0.05 0.03 0.11 -0.10 0.04 0.17 -0.09 -0.02 0.05 -0.02 0.05 0.14 0.00 0.02 0.04 0.00 -0.07 -0.11 0.02 0.01 -0.13 -0.03 -0.08 -0.08 0.05 -0.11 -0.12 0.05 0.04 -0.21 0.02 0.04 -0.02 -0.01 0.00 0.09 0.05 0.11 -0.01 0.01 0.03 0.25 0.10 0.12 0.27 -0.02 -0.01 0.32 -0.03 -0.02 0.29 -0.06 -0.10 -0.12 -0.10 -0.11 -0.09 -0.12 -0.05 0.02 -0.17 -0.06 0.04 -0.13 0.07 -0.03 -0.11 0.02 -0.01 0.01 -0.04 0.03 0.04 -0.03 0.02 -0.07 -0.03 0.02 -0.13 -0.08 0.05 -0.04 0.07 -0.05 -0.15 0.08 -0.01 -0.12 0.07 -0.05 -0.07 0.05 -0.01 -0.15 0.00 -0.01 0.04 -0.01 0.00 0.03 -0.09 0.06 0.10 -0.02 0.01 0.04 -0.07 0.05 -0.16 -0.07 0.04 -0.11 -0.11 0.10 -0.17 -0.08 0.05 0.01 0.13 -0.07 -0.01 0.06 -0.06 0.04 0.16 -0.12 0.01 0.17 -0.01 -0.06 0.06 -0.05 0.07 -0.02 0.01 0.11 0.01 -0.06 0.10 -0.12 0.13 0.24 -0.10 0.07 0.43 -0.17 0.09 0.27 -0.06 -0.02 0.13 -0.17 0.23 -0.12 0.09 -0.06 -0.17 0.07 -0.03 -0.00 0.02 -0.02 -0.04 -0.01 -0.01 0.03 -0.02 -0.01 0.08 -0.03 0.04 0.04 -0.01 0.01 -0.03 0.02 -0.05 0.04 0.01 0.07 -0.00 0.08 0.12 -0.01 -0.02 -0.08 -0.00 -0.00 0.02 0.05 -0.03 -0.04 0.11 -0.07 0.01 0.11 -0.02 0.10 0.08 -0.07 -0.02 0.06 -0.01 0.06 -0.05 -0.02 -0.10 -0.06 0.08 -0.04 -0.05 0.11 0.09 -0.00 0.09 0.14 0.01 0.08 0.17 -0.01 -0.08 -0.09 0.04 -0.05 -0.01 -0.05 -0.09 -0.05 -0.02 -0.10 -0.13 0.11 -0.07 0.07 0.04 -0.02 0.07 -0.12 0.03 -0.15 0.16 -0.05 0.30 -0.15 0.08 -0.13 0.06 -0.15 -0.12 -0.33 0.14 -0.41 -0.21 0.27 0.13 -0.02 -0.00 -0.04 -0.05 0.03 -0.02 -0.06 0.03 -0.08 -0.08 0.07 -0.05 -0.01 0.08 -0.11 0.06 0.04 -0.04 0.19 -0.05 0.05 0.11 -0.01 -0.03 0.10 -0.04 0.04 -0.01 -0.10 0.10 0.01 0.08 -0.07 -0.11 0.04 -0.13 -0.00 0.17 -0.16 0.13 0.10 -0.05 -0.00 0.02 -0.06 0.28 -0.05 -0.03 0.24 -0.07 0.16 0.12 -0.05 -0.09 0.07 0.05 0.01 -0.05 -0.06 0.08 0.04 -0.18 0.17 -0.10 -0.11 0.12 -0.08 0.08 -0.01 -0.09 -0.01 0.06 -0.05 0.09 -0.03 -0.15 0.13 0.00 -0.13 -0.03 0.09 -0.08 -0.04 0.05 -0.06 -0.05 0.09 -0.10 -0.04 0.01 -0.10 -0.03 0.00 -0.32 0.13 -0.02 -0.00 -0.08 0.20 -0.01 -0.11 -0.24 0.03 0.07 -0.08 0.08 0.05 -0.12 0.05 0.04 -0.07 0.02 0.01 -0.07 0.02 0.02 0.02 0.02 0.01 0.02 0.03 -0.01 0.02 0.03 -0.01 0.03 0.05 -0.02 -0.00 0.09 -0.06 -0.04 -0.01 0.03 0.01 0.01 0.02 0.02 0.02 0.02 0.01 0.02 0.02 0.02 -0.01 0.00 0.01 0.02 0.00 0.03 0.03 0.01 0.01 0.06 -0.00 0.03 0.03 -0.03 0.05 0.14 -0.07 -0.02 0.09 -0.07 -0.08 0.08 -0.06 -0.08 -0.02 0.02 0.02 -0.06 0.01 -0.03 0.01 0.01 0.02 -0.03 0.02 0.02 -0.08 0.01 -0.05 -0.06 0.00 -0.05 -0.07 0.01 -0.07 -0.05 -0.00 -0.03 -0.01 -0.02 0.08 0.43 -0.34 0.12 -0.21 0.09 -0.32 -0.18 0.16 0.57 0.01 0.02 0.01 0.04 0.03 0.00 0.02 0.00 0.01 0.00 -0.02 0.01 -0.05 0.02 -0.05 0.00 -0.03 -0.00 -0.04 -0.00 0.00 0.04 -0.02 0.05 -0.02 -0.01 0.00 0.02 0.06 -0.01 0.01 0.01 0.00 -0.15 -0.03 -0.07 -0.06 0.13 -0.08 0.04 -0.07 -0.04 0.02 -0.03 0.05 -0.09 0.03 0.04 -0.06 -0.01 -0.05 0.15 0.03 0.07 0.05 -0.14 0.09 0.27 0.51 -0.08 0.15 -0.35 -0.27 -0.36 0.05 0.33 0.02 -0.00 -0.00 0.01 -0.02 -0.01 0.04 -0.00 -0.01 0.01 0.01 0.01 0.01 -0.02 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.01 -0.00 -0.00 -0.02 -0.00 0.02 -0.02 0.02 0.02 -0.03 -0.01 0.03 -0.02 -0.00 0.01 0.04 -0.00 -0.01 0.08 -0.03 -0.05 -0.01 0.03 0.02 -0.05 0.08 0.05 0.03 0.00 0.06 0.02 -0.01 0.05 -0.02 -0.00 0.04 0.00 -0.03 0.07 0.05 -0.03 -0.00 0.16 -0.07 -0.10 -0.07 0.03 -0.02 0.07 0.05 0.11 0.04 -0.08 0.07 -0.00 -0.02 0.06 -0.01 -0.02 0.05 -0.07 0.01 0.08 -0.05 0.04 -0.01 0.11 0.01 0.08 -0.01 -0.11 0.14 0.26 -0.12 -0.05 0.14 -0.06 -0.19 0.18 -0.08 -0.17 -0.03 0.02 -0.05 -0.04 0.03 -0.08 -0.02 0.00 -0.03 -0.01 0.00 -0.05 -0.05 0.04 -0.10 -0.01 0.01 -0.01 -0.03 0.03 -0.05 0.03 -0.02 0.08 0.00 0.01 -0.01 -0.25 0.33 -0.02 0.19 -0.10 0.36 0.08 -0.24 -0.35 -0.04 0.04 -0.00 -0.06 0.09 0.01 -0.07 0.02 0.01 -0.13 0.01 0.03 -0.01 -0.06 -0.06 0.12 -0.12 0.06 -0.04 -0.07 -0.03 -0.09 -0.04 -0.09 0.06 -0.05 0.05 0.10 0.10 0.06 -0.05 -0.03 -0.01 -0.16 -0.09 -0.06 0.03 0.04 -0.17 0.19 -0.23 -0.01 0.18 -0.12 0.20 -0.07 -0.16 -0.01 -0.05 -0.03 -0.07 -0.21 -0.10 -0.12 -0.09 0.07 -0.16 0.13 0.21 0.03 0.09 0.09 -0.02 0.11 0.11 0.19 -0.08 0.09 0.04 -0.06 0.11 0.10 -0.12 0.12 -0.00 -0.06 0.10 0.09 -0.03 0.10 0.14 -0.06 0.09 0.03 0.04 0.12 -0.02 -0.09 0.02 0.01 0.15 -0.01 -0.03 0.18 -0.05 -0.03 0.27 0.03 -0.05 0.10 -0.12 -0.02 -0.02 -0.07 -0.05 0.02 -0.07 -0.08 -0.02 -0.07 -0.02 0.05 -0.13 -0.07 -0.08 0.04 -0.07 0.03 -0.05 0.02 -0.06 -0.00 -0.02 0.04 -0.01 0.01 -0.02 0.01 0.01 -0.00 0.06 0.01 0.05 0.02 0.04 -0.27 -0.04 -0.12 -0.08 0.24 -0.15 0.11 -0.17 -0.06 0.09 -0.06 0.16 -0.14 0.00 0.04 -0.10 -0.01 -0.13 0.08 0.02 0.05 0.08 -0.09 -0.01 -0.18 -0.22 0.06 -0.13 0.39 0.16 0.33 0.08 -0.17 0.04 0.02 0.03 0.00 -0.03 -0.02 0.11 0.02 0.01 0.03 0.05 0.06 -0.02 -0.04 -0.00 -0.01 -0.02 -0.04 -0.07 -0.01 -0.08 0.02 -0.01 0.01 -0.04 -0.01 0.07 -0.05 0.19 0.09 0.01 -0.08 0.26 -0.05 -0.15 -0.01 0.04 0.01 -0.00 0.07 -0.06 -0.03 0.06 0.01 0.04 0.07 -0.01 0.03 -0.03 0.01 -0.02 0.03 -0.07 0.02 -0.08 -0.01 0.01 0.04 -0.05 0.07 0.01 -0.04 -0.01 0.04 0.02 -0.02 -0.03 0.04 -0.05 -0.10 0.01 0.01 -0.02 0.04 -0.05 0.06 -0.15 -0.02 0.05 -0.08 0.12 -0.19 0.01 0.09 -0.13 0.02 -0.12 0.24 0.03 0.10 0.05 -0.24 0.15 -0.08 -0.18 0.01 -0.05 0.26 0.07 0.28 0.03 -0.14 -0.01 0.03 -0.06 0.01 0.00 0.00 -0.00 0.04 -0.07 -0.02 0.06 -0.04 -0.01 0.01 -0.02 0.03 -0.02 0.06 0.08 -0.05 0.16 -0.00 0.00 -0.03 -0.03 0.02 -0.07 -0.01 -0.28 -0.10 -0.17 0.10 -0.36 0.01 0.29 0.06 -0.00 0.03 -0.06 -0.01 0.05 -0.06 -0.06 0.06 -0.01 -0.14 0.09 0.04 -0.13 0.06 -0.07 -0.00 0.02 0.05 0.03 0.00 0.03 -0.10 0.07 -0.07 -0.04 0.05 0.10 0.13 -0.07 -0.07 0.00 0.00 0.03 -0.30 -0.03 -0.12 -0.11 0.23 -0.18 0.09 -0.03 -0.01 0.04 0.02 0.13 0.11 -0.06 -0.04 0.07 -0.04 0.13 -0.34 -0.04 -0.13 -0.11 0.31 -0.19 0.33 -0.11 0.02 0.13 -0.12 -0.22 0.08 -0.08 -0.16 0.05 0.00 0.00 0.03 -0.02 -0.03 0.08 0.00 -0.01 0.04 0.01 0.01 -0.00 -0.01 -0.07 0.05 -0.03 0.01 0.04 -0.05 0.06 0.04 -0.00 -0.02 -0.04 0.01 -0.02 -0.06 -0.06 -0.03 -0.12 0.02 -0.09 -0.00 0.13 0.00 -0.08 0.01 0.01 -0.09 -0.06 0.01 0.02 -0.03 0.02 0.12 -0.09 -0.04 -0.03 0.01 -0.04 -0.01 -0.04 -0.03 -0.03 -0.02 0.07 -0.09 0.05 -0.02 -0.05 -0.03 0.04 -0.03 -0.16 -0.01 0.01 0.00 0.01 -0.16 -0.08 -0.12 -0.08 0.23 -0.03 0.02 -0.04 -0.05 0.02 -0.03 -0.02 0.04 -0.04 0.02 -0.00 -0.01 0.14 -0.04 -0.01 -0.13 -0.11 0.10 -0.01 -0.01 -0.28 0.04 -0.03 -0.13 0.03 -0.01 -0.17 -0.15 -0.02 -0.11 0.01 0.04 -0.01 0.06 -0.10 -0.14 0.08 -0.01 -0.17 -0.06 0.14 -0.02 0.11 -0.00 0.04 0.01 0.01 0.05 -0.04 -0.01 0.03 -0.01 0.09 -0.02 -0.01 0.12 -0.02 -0.00 0.15 -0.01 -0.00 0.05 -0.10 0.01 0.22 -0.01 0.01 0.38 -0.04 -0.10 -0.14 0.21 -0.03 -0.16 0.37 0.03 -0.02 -0.01 0.02 -0.01 0.02 0.03 0.01 0.01 0.01 0.06 0.00 0.02 -0.04 0.05 0.06 0.05 0.01 -0.03 0.01 -0.02 -0.11 0.03 0.04 0.07 0.01 -0.12 0.00 -0.01 0.02 0.03 0.01 0.03 0.03 -0.00 0.03 0.02 0.01 -0.04 -0.01 0.18 0.05 0.04 0.04 -0.10 0.10 0.13 -0.05 0.01 0.03 0.05 -0.10 0.09 0.01 -0.10 0.00 -0.02 -0.07 0.14 -0.09 0.28 -0.10 0.03 -0.12 -0.08 0.05 -0.05 0.29 -0.20 0.62 0.03 -0.02 0.02 -0.03 0.01 -0.08 -0.02 0.03 -0.09 0.01 -0.01 0.06 0.10 0.08 0.09 0.02 -0.04 0.13 -0.04 -0.09 0.10 -0.13 0.03 -0.05 -0.22 0.06 0.02 -0.03 0.01 -0.07 -0.11 0.06 -0.02 0.08 -0.06 0.03 0.02 -0.06 -0.01 -0.06 -0.03 0.02 -0.13 0.02 -0.03 0.03 -0.06 -0.03 -0.03 -0.05 0.02 -0.01 0.05 0.00 0.18 0.02 0.11 0.07 -0.18 0.09 -0.01 -0.05 0.01 0.01 -0.06 -0.03 -0.05 -0.08 0.01 -0.07 0.04 0.02 -0.25 -0.07 -0.10 -0.11 0.15 -0.13 -0.04 0.02 -0.01 0.01 -0.13 0.04 -0.10 -0.05 0.08 0.07 0.21 0.00 0.02 0.01 0.05 0.18 0.31 -0.18 0.04 0.36 0.20 -0.06 -0.04 0.18 0.06 -0.05 -0.04 0.01 -0.06 -0.05 0.05 -0.06 -0.05 -0.09 0.08 0.08 -0.05 0.21 0.10 -0.23 0.01 0.16 -0.07 0.16 0.10 0.05 0.00 -0.07 -0.00 0.05 -0.03 -0.05 0.06 0.06 0.01 0.02 0.02 -0.07 0.17 -0.03 -0.00 0.04 -0.01 0.03 -0.01 -0.03 -0.11 -0.04 0.00 0.27 -0.17 -0.26 0.01 0.02 0.02 -0.10 0.05 0.10 -0.21 0.08 -0.10 -0.04 0.30 -0.13 0.04 0.01 -0.04 -0.19 -0.05 0.07 0.07 -0.03 -0.06 0.03 0.19 0.02 -0.18 -0.09 -0.03 -0.12 0.05 -0.03 -0.25 0.16 -0.13 0.03 0.03 0.20 0.02 0.04 0.20 0.02 -0.10 0.02 0.08 -0.06 0.08 -0.01 -0.15 0.11 0.03 -0.16 -0.05 0.15 -0.08 0.16 0.04 -0.01 0.01 0.01 -0.01 -0.02 0.04 0.03 -0.03 0.01 -0.01 0.00 0.03 0.01 0.01 0.01 -0.01 0.01 0.01 -0.02 0.01 -0.11 0.07 0.10 -0.16 0.02 0.13 -0.07 0.00 0.05 -0.07 0.08 0.07 0.04 -0.01 0.01 0.03 -0.04 0.00 -0.05 0.01 0.01 -0.04 0.03 -0.00 0.00 -0.01 -0.01 -0.03 -0.04 0.00 0.04 0.05 -0.01 0.10 0.06 0.08 0.05 -0.12 0.04 0.03 -0.10 -0.02 0.05 -0.04 0.06 -0.09 -0.01 0.04 -0.07 0.03 -0.04 -0.15 -0.01 -0.02 -0.01 0.12 -0.09 -0.02 -0.01 -0.01 0.01 -0.12 0.01 -0.11 -0.05 0.02 0.08 0.07 -0.03 0.03 -0.08 -0.01 0.21 0.09 -0.10 0.00 0.17 0.03 0.02 -0.09 0.01 -0.04 0.01 0.03 -0.14 -0.02 0.05 0.05 0.24 0.04 0.02 -0.25 -0.08 -0.01 -0.43 -0.10 0.25 -0.14 -0.17 -0.04 -0.43 -0.11 -0.01 0.04 -0.07 -0.15 0.04 0.02 0.04 0.02 0.08 0.09 -0.07 0.02 -0.05 -0.02 0.03 -0.08 0.03 -0.01 0.10 -0.04 0.02 -0.01 -0.05 0.01 -0.02 -0.03 -0.01 0.05 0.11 -0.03 -0.04 -0.07 -0.00 -0.09 -0.09 -0.04 -0.09 0.09 0.04 -0.12 0.15 0.06 -0.14 0.03 -0.14 0.29 0.00 -0.13 0.20 -0.08 0.25 0.07 -0.04 -0.01 -0.05 -0.06 0.09 0.03 0.10 -0.03 -0.04 0.28 -0.09 0.25 0.13 0.02 0.03 0.09 -0.01 -0.00 0.00 -0.02 0.09 0.25 -0.25 0.10 0.24 0.25 -0.03 -0.03 0.06 0.01 -0.01 -0.01 -0.02 -0.02 0.01 0.04 0.06 0.00 -0.01 -0.05 -0.01 -0.02 -0.08 -0.01 0.02 -0.04 -0.03 -0.02 -0.07 -0.02 0.06 -0.05 0.08 0.25 -0.02 -0.05 -0.08 -0.02 -0.06 -0.13 0.12 0.01 0.04 -0.00 -0.08 -0.00 0.13 -0.06 -0.09 -0.07 -0.03 0.02 -0.06 -0.08 0.04 -0.00 0.09 0.07 -0.02 0.08 -0.02 -0.01 0.09 0.14 -0.02 -0.12 0.06 -0.08 -0.09 -0.00 0.40 0.05 -0.13 0.13 -0.34 -0.28 -0.16 0.12 -0.19 -0.02 -0.28 0.16 -0.03 -0.10 0.05 -0.19 -0.06 0.09 -0.04 0.09 0.06 -0.02 0.06 0.08 -0.02 0.05 0.03 0.01 0.08 -0.00 0.00 -0.01 0.05 0.03 0.05 0.07 0.02 0.13 -0.06 0.02 -0.07 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.03 0.03 -0.00 -0.01 -0.02 -0.00 -0.01 -0.03 -0.01 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 -0.07 -0.06 0.02 -0.17 -0.13 0.08 -0.02 0.08 -0.06 -0.03 0.30 0.01 0.01 0.05 0.03 0.08 0.04 0.06 -0.05 0.09 -0.06 0.01 0.02 -0.01 0.05 0.08 -0.01 -0.05 -0.11 0.02 -0.06 -0.09 -0.03 -0.15 -0.06 -0.07 0.02 0.24 -0.06 0.09 -0.10 0.01 0.14 0.04 0.19 -0.21 0.04 0.07 -0.13 0.13 -0.25 0.11 0.12 0.07 -0.01 -0.11 0.09 -0.08 -0.16 0.04 0.04 -0.30 0.16 -0.28 -0.14 -0.08 -0.01 0.05 -0.03 -0.01 0.00 -0.01 0.03 0.20 -0.25 0.06 0.17 0.20 0.01 -0.03 0.10 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.03 0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 -0.03 0.13 0.26 0.03 -0.02 -0.04 -0.11 -0.11 -0.07 -0.05 -0.08 -0.00 0.06 0.00 -0.07 0.09 -0.02 -0.09 -0.03 0.03 -0.05 -0.04 0.02 0.02 -0.03 0.06 0.05 0.02 0.06 -0.02 0.03 -0.09 -0.00 0.04 -0.02 -0.04 0.11 0.05 -0.09 0.33 0.08 -0.20 0.08 -0.26 -0.22 -0.07 0.14 -0.16 0.01 -0.14 -0.19 -0.07 0.04 -0.03 0.05 -0.06 0.06 0.03 0.07 0.02 0.07 0.03 0.11 0.03 0.09 -0.05 -0.02 -0.09 0.01 -0.01 0.01 -0.12 -0.05 -0.03 -0.09 -0.06 -0.18 0.07 -0.04 0.12 0.02 -0.01 -0.00 0.01 -0.01 -0.01 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.12 0.06 -0.02 0.35 0.13 -0.17 0.03 -0.12 0.05 0.07 -0.42 -0.05 0.07 0.04 -0.03 0.06 -0.03 -0.03 0.04 -0.04 -0.04 -0.00 -0.08 -0.01 -0.08 0.06 0.04 -0.04 0.01 -0.04 -0.16 0.11 0.07 0.11 0.07 0.00 0.06 -0.03 0.01 0.10 -0.17 -0.10 0.16 -0.02 0.14 0.17 -0.03 -0.14 0.11 -0.08 0.12 0.08 -0.02 0.05 -0.00 -0.18 0.05 0.03 -0.03 0.01 -0.04 -0.00 -0.07 -0.06 0.01 -0.08 -0.17 0.02 0.12 -0.06 0.08 0.08 -0.30 -0.17 0.41 -0.13 -0.19 -0.13 -0.23 0.06 0.07 0.10 -0.06 -0.05 0.03 -0.10 -0.05 0.18 0.12 -0.05 -0.03 -0.05 -0.00 -0.01 -0.01 0.00 -0.10 -0.09 0.03 -0.01 -0.01 0.00 0.01 0.03 -0.01 0.15 0.07 -0.10 -0.02 -0.03 0.00 0.01 -0.19 -0.06 -0.13 -0.14 0.04 -0.08 -0.03 0.07 -0.01 0.10 0.08 0.08 0.19 0.01 0.10 -0.07 -0.06 0.04 -0.02 0.03 0.09 -0.06 -0.07 -0.23 -0.16 0.05 -0.11 -0.06 -0.03 -0.17 0.11 0.16 -0.14 -0.01 -0.12 -0.21 0.14 0.23 -0.11 0.09 -0.16 -0.02 0.10 -0.07 0.04 0.33 0.01 -0.06 0.04 -0.02 0.04 -0.00 0.09 0.06 -0.01 0.11 -0.11 0.02 0.07 -0.06 0.09 0.05 -0.30 -0.02 0.18 -0.12 -0.09 -0.09 -0.23 0.11 -0.08 0.05 -0.03 -0.03 0.02 -0.06 -0.03 0.10 0.06 -0.02 -0.02 -0.04 -0.00 -0.01 -0.01 0.00 -0.06 -0.06 0.01 -0.01 -0.01 0.00 -0.01 -0.07 -0.05 -0.05 -0.10 -0.02 0.05 0.03 -0.07 0.03 0.12 -0.03 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.02 0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.04 0.01 -0.01 -0.01 0.00 -0.02 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.01 0.02 -0.00 -0.01 -0.02 -0.01 -0.00 -0.02 0.03 0.05 -0.03 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.03 -0.02 -0.01 -0.04 0.04 -0.09 -0.02 -0.01 -0.02 0.04 -0.04 -0.00 0.34 -0.25 0.87 -0.06 0.04 -0.14 0.03 -0.02 0.05 0.02 -0.01 0.04 -0.00 -0.01 0.00 -0.04 -0.04 -0.01 -0.01 0.00 -0.02 0.02 0.03 -0.02 -0.01 -0.01 0.01 -0.05 -0.04 0.03 0.03 0.02 0.01 0.04 0.03 0.01 -0.05 -0.06 0.04 0.01 0.06 0.11 0.02 0.01 -0.13 -0.06 -0.08 -0.02 0.04 0.06 -0.01 0.00 -0.01 0.01 0.06 -0.02 -0.02 -0.23 -0.11 0.03 -0.00 0.09 -0.10 -0.10 0.16 0.20 0.00 0.09 -0.05 0.16 -0.09 -0.25 0.08 0.07 0.04 0.06 0.05 0.12 -0.01 -0.30 0.00 -0.03 -0.07 0.02 0.05 -0.10 0.10 -0.11 -0.03 -0.07 0.05 0.04 -0.02 0.08 0.20 0.01 -0.21 -0.07 0.20 0.13 -0.20 -0.28 0.10 0.18 0.07 0.05 0.05 -0.02 -0.08 0.00 0.04 -0.00 -0.10 -0.03 -0.08 -0.09 0.01 -0.09 -0.17 0.00 0.04 -0.04 -0.03 -0.10 -0.17 -0.01 0.05 -0.02 -0.06 -0.16 -0.04 0.07 -0.04 0.04 0.08 0.02 -0.08 0.02 0.07 0.09 -0.04 0.02 -0.06 -0.13 -0.03 -0.03 0.13 0.02 0.05 0.03 -0.05 -0.06 0.01 -0.01 0.01 -0.01 0.01 -0.04 -0.02 0.24 0.11 -0.07 0.02 -0.01 0.10 0.13 -0.18 -0.23 0.02 -0.09 0.08 -0.15 0.05 0.22 -0.08 -0.06 -0.01 -0.09 -0.09 -0.11 -0.02 0.26 0.00 0.03 0.07 -0.02 -0.06 0.10 -0.11 0.10 0.03 0.05 0.05 0.04 -0.02 0.09 0.20 0.02 -0.19 -0.01 0.11 0.18 -0.15 -0.17 0.08 0.21 -0.02 0.06 0.05 0.01 -0.08 0.01 0.03 -0.00 -0.10 -0.04 -0.08 -0.09 0.01 -0.08 -0.17 0.00 0.05 -0.04 -0.03 -0.10 -0.18 -0.01 -0.06 0.02 0.11 0.19 0.06 -0.04 0.02 -0.06 -0.08 -0.10 0.26 0.07 0.06 0.11 -0.00 0.03 0.02 -0.03 -0.02 -0.05 0.01 -0.05 -0.07 0.03 -0.02 -0.01 0.01 -0.01 0.01 -0.01 0.24 -0.15 -0.13 0.01 0.04 -0.09 0.06 0.21 -0.04 0.06 -0.02 -0.06 0.01 -0.01 0.04 0.03 -0.06 -0.03 0.00 -0.02 0.09 -0.07 -0.09 0.00 -0.03 -0.05 -0.02 -0.01 0.02 -0.02 -0.02 0.02 -0.06 0.00 0.01 -0.01 -0.08 -0.00 0.00 -0.08 0.02 0.02 -0.23 0.14 -0.16 -0.16 0.07 0.02 -0.17 0.03 -0.02 -0.02 -0.01 -0.05 0.04 -0.03 -0.01 0.03 0.04 0.02 0.01 0.01 -0.00 0.00 0.04 0.00 -0.05 -0.02 0.01 0.02 0.05 0.00 0.02 0.03 0.06 -0.59 -0.04 0.46 -0.04 0.03 0.05 -0.05 -0.02 0.04 -0.01 -0.01 -0.00 0.01 0.03 0.03 0.00 -0.01 -0.04 -0.03 -0.05 0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.07 -0.02 -0.03 0.03 0.03 0.03 0.02 -0.07 -0.01 0.01 0.01 0.02 0.02 0.03 0.04 0.03 -0.04 -0.06 0.01 0.02 0.00 -0.12 -0.07 0.01 0.01 -0.00 -0.09 -0.02 -0.02 -0.00 0.01 -0.02 0.03 -0.03 -0.01 -0.04 -0.02 0.01 -0.01 -0.03 -0.01 0.01 -0.06 -0.02 0.03 -0.11 -0.00 -0.11 -0.06 -0.02 0.00 -0.02 -0.01 -0.02 0.02 -0.01 -0.00 0.00 0.02 0.01 0.01 0.01 -0.00 0.01 0.03 -0.00 -0.02 -0.00 0.01 0.02 0.03 -0.00 -0.07 0.01 -0.01 0.45 0.08 -0.34 0.04 -0.03 0.06 -0.15 0.65 0.34 -0.04 0.08 -0.01 -0.05 0.01 0.01 -0.02 0.04 0.01 -0.07 -0.00 0.01 0.02 -0.01 0.00 0.03 -0.01 0.03 0.07 -0.05 -0.12 0.18 0.23 0.13 -0.06 -0.19 0.14 0.04 -0.08 -0.07 -0.07 -0.02 0.15 0.04 -0.00 -0.05 -0.00 0.08 0.09 0.09 0.11 0.09 -0.11 -0.17 0.15 0.04 -0.01 0.04 0.03 -0.01 0.03 0.03 -0.01 0.03 0.13 -0.06 0.28 0.03 -0.01 0.04 0.21 -0.06 0.27 0.19 -0.06 0.34 -0.01 0.02 -0.07 -0.08 0.06 -0.18 0.01 -0.01 0.05 0.02 -0.02 0.06 -0.00 -0.00 0.00 -0.04 -0.04 -0.01 0.00 0.01 -0.03 0.02 0.02 -0.02 0.00 0.10 -0.14 0.16 0.14 -0.24 -0.08 -0.08 -0.11 -0.10 -0.15 -0.12 -0.06 0.02 -0.01 -0.04 -0.04 -0.09 -0.01 0.04 -0.09 -0.05 0.05 -0.01 0.02 -0.01 0.02 0.07 -0.03 0.09 0.09 -0.05 -0.04 0.24 0.12 0.03 -0.13 -0.20 0.21 0.09 -0.13 -0.19 -0.04 -0.07 0.08 0.12 -0.05 -0.20 0.04 0.07 0.06 0.14 0.24 0.17 0.01 -0.25 0.06 0.09 -0.03 0.10 0.07 -0.03 0.09 0.08 -0.03 0.10 -0.01 -0.01 0.05 -0.08 0.05 -0.13 0.02 -0.00 0.03 0.05 -0.04 0.05 0.11 -0.11 0.40 0.09 -0.07 0.22 -0.01 0.01 -0.05 -0.03 0.03 -0.06 0.00 0.00 -0.00 0.05 0.05 0.01 -0.01 -0.01 0.03 -0.02 -0.02 0.02 -0.04 0.02 0.04 0.21 0.00 -0.13 -0.02 0.04 0.03 0.08 -0.19 -0.08 0.04 0.04 -0.00 0.00 0.07 0.12 -0.01 -0.02 0.11 -0.01 -0.07 0.01 -0.00 0.01 -0.02 -0.06 0.02 -0.08 -0.02 0.00 0.01 -0.10 0.03 0.03 0.10 0.08 -0.13 -0.05 0.06 0.14 -0.00 0.07 0.09 -0.07 0.04 0.15 -0.04 -0.01 0.04 -0.11 -0.20 -0.13 -0.06 0.14 -0.01 -0.08 0.03 -0.09 -0.06 0.02 -0.07 -0.07 0.02 -0.09 0.02 -0.02 0.10 -0.05 0.03 -0.12 0.10 -0.03 0.09 0.12 -0.05 0.14 0.13 -0.12 0.36 0.08 -0.06 0.18 -0.02 0.01 -0.04 -0.02 0.02 -0.05 0.00 0.01 -0.00 0.04 0.03 0.00 0.01 -0.00 0.02 -0.02 -0.02 0.02 0.09 0.02 -0.13 -0.34 -0.01 0.14 0.01 -0.11 -0.09 -0.18 0.42 0.15 -0.05 0.02 -0.01 -0.06 -0.01 -0.04 -0.04 0.05 -0.03 -0.05 0.04 -0.02 0.01 -0.01 0.02 0.06 -0.02 0.07 -0.05 0.04 0.08 0.18 0.09 0.01 -0.12 -0.12 0.17 0.06 -0.13 -0.14 -0.04 -0.04 0.14 0.12 -0.02 -0.15 0.03 0.08 0.15 0.09 0.20 0.13 -0.00 -0.21 0.04 0.07 -0.03 0.07 0.06 -0.03 0.04 0.07 -0.02 0.05 -0.03 0.02 -0.08 0.01 -0.01 0.03 -0.04 0.00 -0.04 -0.05 0.02 -0.10 -0.04 0.02 -0.07 -0.01 0.01 -0.03 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.11 -0.01 -0.03 -0.40 -0.11 0.29 0.06 -0.11 -0.03 -0.07 0.48 0.19 -0.08 0.02 -0.02 -0.06 0.08 0.02 0.09 -0.02 -0.04 0.05 -0.06 0.02 0.02 0.04 -0.01 0.01 0.01 0.00 -0.02 -0.03 0.01 0.32 0.13 -0.00 -0.12 -0.28 0.18 0.13 -0.22 -0.18 0.02 0.04 0.42 -0.18 0.03 0.17 -0.03 -0.03 -0.33 -0.17 -0.21 -0.10 -0.00 0.26 -0.06 0.00 -0.01 0.01 0.02 -0.02 0.03 -0.02 -0.00 -0.02 -0.04 -0.04 -0.01 0.01 0.02 0.01 -0.04 0.08 -0.18 0.03 0.05 0.16 0.02 0.05 -0.06 0.02 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.01 -0.03 -0.00 0.04 -0.03 -0.03 -0.01 -0.11 -0.01 -0.03 0.04 0.05 -0.04 -0.07 0.02 0.03 0.01 -0.07 -0.05 0.11 0.12 -0.12 0.02 0.14 -0.02 -0.02 -0.07 0.03 -0.03 -0.04 -0.03 0.01 -0.04 0.04 -0.02 0.02 0.24 0.03 -0.12 0.06 -0.17 -0.05 0.09 -0.11 -0.02 -0.03 0.07 0.39 0.17 -0.05 -0.08 0.00 0.06 0.45 0.22 0.05 -0.06 0.06 -0.28 -0.06 -0.04 0.02 -0.04 -0.03 0.03 -0.03 -0.03 0.01 -0.01 -0.01 0.01 -0.05 0.00 0.00 0.01 -0.05 0.01 -0.04 -0.05 0.00 -0.09 -0.01 0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.01 0.00 0.00 0.01 0.00 -0.02 -0.07 0.01 0.21 -0.15 -0.14 0.05 0.05 -0.02 0.24 -0.19 -0.17 0.12 0.07 -0.05 -0.04 -0.02 0.10 -0.01 -0.05 -0.09 0.02 0.14 0.02 -0.03 -0.06 0.01 -0.01 -0.02 0.00 -0.03 -0.01 0.01 -0.01 0.06 -0.03 0.19 0.08 -0.18 -0.10 0.06 0.16 -0.17 -0.06 -0.00 0.08 -0.07 -0.16 0.04 -0.17 0.02 0.03 0.25 0.15 0.06 -0.01 0.02 0.02 0.02 -0.00 -0.04 0.03 -0.05 0.06 -0.01 0.05 -0.11 -0.12 0.02 0.01 0.02 0.00 -0.07 0.19 -0.42 0.03 0.13 0.49 0.08 0.06 -0.10 0.06 0.02 -0.02 -0.04 0.04 0.03 0.05 -0.05 -0.04 -0.02 -0.00 0.01 -0.03 -0.09 -0.00 0.11 0.06 -0.04 -0.04 -0.09 -0.01 -0.02 0.01 -0.06 0.06 0.01 -0.11 0.02 -0.00 0.06 -0.00 0.09 0.10 0.11 0.07 -0.07 -0.09 0.02 0.11 0.06 -0.08 -0.11 0.02 0.14 0.05 -0.03 -0.05 0.01 -0.01 -0.02 0.00 -0.02 -0.02 0.00 0.10 0.00 -0.15 0.15 0.06 -0.14 -0.03 -0.07 0.05 -0.19 -0.04 0.23 -0.08 -0.06 -0.00 0.01 -0.23 -0.27 -0.01 0.19 0.13 -0.03 0.13 0.14 0.02 0.04 -0.01 -0.05 0.05 -0.08 0.08 -0.00 0.07 0.12 0.09 -0.03 0.01 0.03 0.01 0.01 -0.14 0.30 0.10 -0.16 -0.37 -0.02 0.01 0.06 -0.08 -0.01 0.03 0.08 -0.08 -0.06 -0.08 0.07 0.06 0.00 -0.03 -0.01 0.02 0.12 0.01 -0.22 -0.12 0.07 0.04 0.12 0.03 0.02 -0.06 -0.00 -0.01 -0.08 0.01 -0.07 -0.02 0.01 -0.10 -0.03 0.02 -0.03 -0.01 0.02 0.04 -0.03 -0.03 -0.03 0.03 0.03 0.00 -0.03 -0.02 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.03 0.01 0.02 -0.06 0.04 0.10 -0.03 -0.01 0.03 -0.02 0.07 0.03 0.05 0.00 -0.14 0.05 0.01 -0.03 0.00 0.06 0.12 0.01 -0.03 -0.03 0.04 -0.04 -0.08 -0.01 -0.02 0.00 0.02 -0.02 0.02 -0.03 0.00 -0.03 -0.00 -0.12 -0.02 0.05 0.14 0.02 -0.04 0.16 -0.39 0.27 0.02 0.40 0.28 0.22 -0.14 -0.06 0.07 0.05 0.13 -0.13 -0.10 -0.09 0.07 0.06 -0.06 -0.10 0.00 -0.03 0.10 0.02 -0.36 -0.24 0.11 -0.01 0.10 0.05 -0.01 0.04 -0.03 0.02 0.06 -0.05 0.04 0.01 0.02 0.06 0.03 0.02 0.15 0.04 -0.04 -0.16 -0.12 0.02 0.02 0.20 -0.02 0.02 -0.16 -0.01 -0.05 0.03 -0.02 0.07 -0.02 0.11 0.00 0.00 0.02 -0.10 -0.04 -0.09 0.18 0.20 -0.16 -0.31 -0.19 0.06 -0.26 -0.16 0.04 0.02 0.37 -0.01 0.01 0.33 -0.00 -0.14 -0.30 -0.13 -0.01 0.11 -0.10 0.17 -0.08 0.16 0.09 -0.07 0.08 0.10 -0.03 0.06 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.03 0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.01 0.02 0.00 -0.03 0.01 0.03 -0.02 0.01 -0.02 -0.03 -0.02 0.04 0.01 0.02 -0.02 -0.00 -0.04 0.01 -0.00 0.06 0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.05 -0.04 -0.00 0.01 0.09 0.06 -0.02 -0.03 0.03 -0.01 0.05 0.04 -0.02 -0.03 -0.06 0.07 0.02 -0.09 0.00 -0.02 0.10 -0.03 -0.05 -0.05 0.10 0.07 -0.13 -0.01 -0.03 0.01 0.04 -0.04 0.05 -0.05 0.00 -0.04 0.10 -0.04 -0.05 -0.05 0.05 0.05 -0.25 0.08 -0.14 0.58 -0.27 0.04 -0.54 -0.03 0.16 -0.04 -0.10 -0.01 -0.06 -0.01 0.02 0.01 0.02 0.00 0.06 0.06 -0.01 0.06 0.06 -0.01 0.08 0.07 -0.02 0.06 0.06 -0.01 0.01 -0.00 -0.02 0.00 0.00 -0.02 0.00 0.01 0.03 -0.01 -0.01 0.03 0.04 -0.09 0.06 -0.04 0.12 -0.06 -0.11 -0.04 -0.03 0.09 0.02 0.03 -0.01 0.00 -0.04 0.05 -0.03 0.06 -0.07 0.02 -0.10 -0.13 -0.30 -0.17 0.01 0.24 -0.03 0.05 -0.22 -0.22 0.15 0.13 0.25 0.16 -0.01 -0.25 0.01 -0.14 0.26 -0.17 -0.09 -0.01 0.18 0.17 -0.20 0.01 0.00 0.02 0.05 -0.00 0.07 0.06 -0.02 0.09 0.00 -0.00 0.04 0.00 -0.00 -0.00 0.15 -0.07 0.10 0.06 -0.00 0.09 0.07 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.08 0.24 0.08 0.00 0.01 0.01 -0.20 -0.01 0.11 -0.06 0.02 -0.09 0.06 -0.05 0.08 -0.10 -0.00 -0.08 0.06 -0.02 0.10 -0.01 -0.01 -0.00 0.02 0.03 -0.00 0.02 0.02 -0.00 0.23 0.16 0.00 -0.04 -0.29 0.02 0.08 0.23 0.17 -0.10 -0.06 -0.20 0.15 0.13 -0.27 0.03 -0.09 0.25 -0.27 -0.16 0.04 0.06 0.29 -0.05 -0.05 -0.11 0.02 0.10 -0.11 0.15 -0.16 0.00 -0.14 -0.01 0.02 0.01 0.01 -0.01 -0.01 0.05 -0.02 0.05 -0.11 0.05 -0.03 0.10 -0.00 -0.03 0.01 0.02 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 -0.01 0.00 -0.01 -0.01 0.00 0.02 0.01 0.06 -0.00 -0.22 0.05 -0.00 0.01 -0.07 -0.21 -0.12 -0.00 0.01 0.12 0.06 -0.03 -0.07 -0.05 -0.03 -0.05 0.06 0.09 0.05 -0.09 0.03 0.05 -0.01 0.06 0.10 -0.02 -0.04 -0.09 0.01 -0.05 0.14 0.10 -0.04 0.16 0.14 -0.09 -0.01 -0.00 -0.12 -0.09 -0.05 0.04 -0.07 0.01 -0.01 -0.14 0.09 0.16 0.01 -0.17 0.12 -0.02 -0.10 -0.13 -0.23 0.04 0.26 -0.23 0.35 -0.38 0.04 -0.33 -0.03 0.05 0.02 0.03 -0.04 -0.02 0.00 -0.05 0.15 -0.13 0.04 -0.08 0.17 -0.02 -0.06 0.01 0.03 0.00 0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.02 -0.02 0.00 -0.02 -0.02 0.00 -0.02 -0.02 0.00 -0.02 -0.01 0.00 -0.00 -0.08 -0.07 -0.00 0.03 -0.06 -0.06 -0.03 0.08 0.04 0.04 0.06 -0.05 0.10 0.06 0.12 0.03 0.01 -0.04 0.11 -0.03 0.10 -0.01 -0.07 -0.03 -0.05 0.00 -0.06 -0.11 0.02 -0.04 -0.10 0.01 0.00 0.20 0.16 -0.04 -0.01 0.10 0.10 0.15 0.06 0.02 0.01 -0.09 0.06 0.16 -0.11 0.02 0.05 0.09 0.00 -0.07 -0.11 0.15 0.05 -0.18 0.13 0.25 -0.05 -0.26 0.24 -0.34 0.39 -0.04 0.33 -0.02 0.05 0.01 0.02 -0.04 -0.02 -0.01 -0.04 0.14 -0.08 0.02 -0.07 0.12 -0.02 -0.04 0.01 0.02 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.06 -0.05 -0.00 -0.03 -0.05 -0.05 -0.00 0.06 -0.01 0.00 0.04 -0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.00 0.01 0.01 -0.01 0.06 -0.04 -0.01 -0.11 0.07 0.06 -0.02 0.00 -0.04 0.04 -0.05 -0.06 -0.02 0.00 0.01 0.08 0.03 -0.02 -0.08 -0.04 -0.01 0.01 -0.06 0.00 -0.00 0.08 -0.02 -0.00 0.01 -0.01 0.05 -0.02 -0.07 0.50 -0.22 0.39 -0.11 -0.11 -0.46 -0.01 0.04 -0.46 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.08 -0.04 0.03 0.04 -0.01 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.03 0.05 0.04 -0.00 -0.00 0.02 -0.04 0.02 0.05 -0.00 -0.01 -0.03 -0.01 -0.02 0.02 0.01 0.02 0.01 0.01 -0.00 -0.03 -0.01 0.00 0.02 0.01 -0.01 -0.03 -0.02 0.01 -0.04 0.08 -0.02 -0.07 -0.02 -0.03 0.00 0.03 0.04 0.03 -0.04 -0.02 -0.05 -0.01 -0.01 0.03 -0.00 0.02 -0.03 0.03 0.02 -0.02 0.04 -0.06 -0.07 -0.11 0.05 -0.09 0.01 0.02 0.08 -0.01 -0.00 0.07 0.07 -0.05 -0.04 -0.12 -0.04 0.04 0.23 -0.08 -0.03 0.11 -0.07 -0.03 -0.59 -0.14 0.20 0.03 0.03 -0.01 0.21 0.19 -0.04 0.02 -0.00 -0.01 -0.23 -0.12 0.07 -0.13 -0.28 0.06 0.14 0.05 -0.05 -0.22 -0.27 -0.03 0.01 0.01 0.02 -0.03 0.02 0.05 -0.01 -0.01 0.03 -0.03 0.02 0.05 0.01 0.05 0.10 0.03 0.06 -0.06 -0.04 -0.07 -0.04 -0.02 -0.00 0.10 -0.00 -0.00 -0.04 -0.00 0.01 0.06 0.04 -0.01 0.13 -0.22 0.09 0.24 0.05 0.11 0.00 -0.09 -0.09 -0.06 0.11 0.06 0.10 0.02 0.06 -0.08 0.01 -0.10 0.09 -0.08 -0.06 0.05 -0.14 0.17 0.21 0.20 -0.09 0.17 -0.01 -0.04 -0.11 0.03 0.00 -0.10 0.06 -0.03 -0.00 -0.00 -0.02 -0.02 -0.40 0.19 -0.19 -0.27 0.07 -0.16 -0.21 -0.07 0.08 0.01 0.01 0.00 0.04 0.04 -0.01 -0.01 -0.00 0.00 -0.04 -0.03 0.01 -0.02 -0.03 0.01 0.00 -0.01 0.00 -0.04 -0.04 0.01 -0.02 -0.05 -0.09 0.09 -0.11 -0.17 0.03 0.02 -0.09 0.12 -0.07 -0.16 0.00 0.06 0.06 0.01 0.01 -0.02 0.00 -0.03 -0.02 -0.06 -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.03 -0.00 -0.07 0.06 0.08 0.02 0.07 0.04 0.03 0.01 -0.03 -0.07 -0.02 -0.01 -0.00 -0.03 -0.02 -0.01 0.06 -0.01 -0.05 -0.02 0.07 -0.08 0.05 0.08 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.12 0.05 -0.07 -0.01 -0.01 0.04 0.54 -0.27 0.21 0.58 -0.19 0.19 0.08 0.03 -0.05 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.03 -0.05 0.00 0.04 0.04 -0.02 -0.00 -0.03 -0.02 -0.02 -0.07 -0.04 0.02 -0.12 -0.07 0.06 0.05 -0.05 0.14 0.04 -0.09 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 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 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.03 0.00 0.02 0.05 -0.02 0.02 0.02 -0.01 -0.01 -0.00 0.00 -0.01 0.03 -0.02 0.06 -0.00 -0.00 0.01 -0.06 0.04 -0.12 0.59 0.28 0.00 0.15 -0.08 0.29 -0.44 -0.38 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.04 0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.03 0.00 -0.02 0.01 0.01 0.01 0.03 0.03 0.09 0.04 -0.03 -0.07 -0.02 -0.04 -0.00 0.09 -0.00 0.01 -0.05 0.02 0.02 -0.01 -0.04 -0.03 0.01 0.05 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.08 -0.10 -0.04 -0.10 0.14 0.07 0.68 -0.15 -0.14 -0.51 0.19 -0.13 0.00 0.17 0.05 -0.01 -0.03 -0.00 -0.03 -0.04 0.01 0.02 0.01 -0.01 0.02 0.05 -0.01 0.07 -0.03 -0.01 0.11 0.07 0.00 -0.03 -0.08 -0.01 -0.00 -0.06 -0.01 0.02 -0.11 -0.04 -0.02 -0.02 0.00 -0.03 -0.01 0.01 -0.01 -0.04 -0.05 0.01 0.03 0.01 -0.02 -0.02 0.01 0.02 0.01 -0.06 -0.03 0.01 -0.07 0.03 -0.01 0.07 0.06 -0.02 0.06 -0.10 0.09 0.15 0.10 -0.18 -0.19 -0.21 -0.11 0.06 0.24 0.14 -0.04 -0.01 0.24 0.01 0.01 -0.26 0.02 0.18 -0.04 -0.19 -0.12 0.07 0.17 0.11 -0.05 0.10 0.03 -0.04 -0.01 0.05 -0.01 -0.01 -0.04 0.02 -0.03 -0.00 -0.00 0.01 0.09 -0.04 0.03 0.17 -0.07 0.01 0.10 0.03 -0.04 -0.01 -0.01 0.00 0.03 -0.06 -0.03 -0.01 0.01 0.01 -0.03 0.08 0.04 -0.02 -0.30 0.01 0.31 0.24 -0.10 -0.07 -0.25 -0.13 0.01 0.09 0.02 0.02 -0.05 -0.00 -0.07 -0.05 0.04 0.04 0.00 0.00 0.00 0.02 0.02 -0.01 -0.02 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.04 0.03 0.00 0.05 -0.02 0.00 -0.04 -0.04 0.01 -0.03 0.05 -0.05 -0.08 -0.06 0.10 0.10 0.08 0.04 -0.03 -0.12 -0.07 0.04 0.01 -0.21 -0.01 -0.01 0.19 -0.01 -0.14 0.03 0.14 0.10 -0.04 -0.13 -0.06 0.04 -0.06 -0.02 0.03 -0.00 -0.02 0.01 0.01 0.03 0.01 0.03 0.02 -0.00 -0.02 -0.26 0.10 -0.02 -0.06 0.02 -0.03 0.18 0.03 -0.06 -0.02 -0.03 0.01 0.03 -0.08 -0.04 -0.02 0.02 0.02 -0.04 0.11 0.06 -0.01 -0.38 0.02 0.44 0.34 -0.13 -0.08 -0.31 -0.18 -0.01 -0.04 -0.01 -0.01 0.04 0.00 0.04 0.03 -0.02 -0.05 -0.02 0.00 0.00 -0.03 -0.00 0.03 0.02 0.03 -0.00 0.03 -0.04 -0.03 -0.01 0.01 -0.03 -0.06 0.01 0.01 0.02 -0.00 -0.03 -0.05 0.01 0.14 -0.14 -0.19 -0.14 0.16 0.16 0.34 0.17 -0.05 -0.16 -0.07 0.04 -0.02 0.40 -0.01 0.03 -0.18 0.01 0.17 -0.07 -0.15 -0.17 0.10 0.21 -0.04 -0.06 0.01 0.05 -0.05 0.06 -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.01 0.00 -0.02 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 0.01 0.00 0.00 -0.02 0.00 0.03 0.02 -0.01 -0.01 -0.02 -0.01 -0.01 0.02 -0.02 -0.03 0.38 0.03 0.02 0.01 0.02 0.34 0.14 -0.10 0.00 -0.02 0.06 0.01 0.04 -0.04 0.02 0.05 0.01 0.00 -0.02 -0.06 -0.01 -0.05 0.03 0.01 0.02 -0.02 0.03 0.02 0.02 -0.20 -0.00 0.16 0.25 -0.17 -0.33 0.36 0.09 -0.19 -0.34 -0.15 0.15 -0.04 0.27 0.07 0.02 -0.24 -0.02 -0.20 0.15 0.26 0.06 -0.11 -0.11 -0.05 -0.04 -0.01 0.05 -0.04 0.06 -0.08 0.01 -0.06 -0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.06 0.02 -0.00 0.07 -0.02 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.03 -0.15 -0.03 -0.02 -0.00 -0.01 -0.16 -0.05 0.05 0.01 -0.05 0.01 -0.03 0.01 -0.03 -0.03 -0.00 -0.05 0.05 0.03 0.03 0.03 0.01 0.07 -0.02 -0.00 -0.04 0.03 -0.01 0.05 -0.15 -0.01 0.11 0.14 -0.10 -0.20 0.19 0.02 -0.13 -0.30 -0.14 0.12 0.08 -0.31 -0.16 -0.03 0.48 0.07 0.25 -0.20 -0.36 -0.08 0.21 0.16 -0.06 0.05 -0.07 -0.04 0.04 -0.02 -0.02 0.00 0.01 -0.01 0.00 -0.02 -0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.00 -0.00 -0.01 -0.06 -0.01 0.02 0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.05 -0.00 0.02 0.03 -0.01 -0.04 -0.04 0.01 0.04 -0.02 -0.02 0.05 -0.05 -0.04 -0.04 -0.01 0.02 -0.01 0.04 0.01 0.07 -0.02 -0.04 0.05 -0.02 0.04 -0.03 0.01 -0.04 0.11 -0.04 0.17 0.05 -0.08 -0.07 -0.27 0.34 0.38 0.07 0.02 -0.02 0.12 0.07 -0.02 0.02 -0.12 -0.02 0.00 -0.08 0.03 -0.33 0.13 0.33 0.08 0.01 -0.07 -0.03 0.02 -0.04 -0.03 0.03 -0.01 -0.02 0.01 0.00 -0.04 0.00 -0.05 -0.00 -0.01 0.01 0.19 -0.06 -0.02 0.05 -0.03 -0.02 -0.27 -0.06 0.09 0.04 0.08 0.01 -0.01 -0.04 -0.00 -0.01 -0.01 0.00 0.02 0.02 -0.01 -0.02 -0.04 -0.01 -0.04 -0.01 0.01 -0.02 -0.05 0.01 -0.03 0.06 -0.06 0.02 0.25 -0.06 -0.07 -0.02 -0.04 -0.18 -0.13 -0.01 0.00 0.03 0.07 0.00 -0.02 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.07 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.09 0.17 -0.03 0.19 -0.21 -0.30 -0.09 0.19 0.18 0.16 0.10 -0.02 0.09 0.03 -0.04 -0.01 0.19 -0.01 -0.00 0.13 0.04 0.18 -0.02 -0.17 -0.22 0.11 0.27 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.03 -0.01 0.00 0.03 -0.01 -0.02 -0.17 0.05 -0.03 0.18 -0.04 0.13 -0.06 -0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.02 0.01 -0.00 0.00 0.00 -0.01 -0.03 -0.06 -0.01 0.03 -0.37 -0.08 -0.02 -0.05 0.02 -0.34 -0.13 0.15 -0.02 0.02 0.01 0.02 0.01 0.00 0.02 -0.02 0.01 -0.03 0.01 0.02 -0.03 0.01 -0.03 0.01 -0.00 0.02 -0.05 0.01 -0.07 0.00 0.02 0.00 0.08 -0.10 -0.11 -0.02 -0.02 0.01 -0.08 -0.03 -0.02 -0.02 0.06 0.04 -0.00 0.03 -0.03 0.08 -0.03 -0.09 0.04 -0.07 -0.08 0.02 -0.01 0.02 0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.03 -0.01 0.06 -0.03 -0.03 0.06 -0.14 0.15 -0.12 0.16 0.18 -0.72 -0.20 0.24 0.09 0.24 0.03 -0.03 -0.12 -0.02 -0.04 -0.02 0.01 0.05 0.05 -0.01 -0.05 -0.16 -0.03 -0.11 -0.03 0.04 -0.05 -0.17 -0.01 0.01 -0.03 0.02 -0.01 -0.08 0.02 0.03 0.01 0.01 0.01 0.03 0.02 0.05 -0.00 -0.03 -0.07 0.01 0.03 0.03 -0.04 -0.03 -0.02 0.03 0.02 -0.03 -0.06 0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.25 0.17 0.29 -0.05 0.03 0.13 0.35 0.11 -0.13 0.42 0.24 -0.13 -0.05 0.30 0.05 0.01 0.38 0.02 0.04 -0.04 -0.11 0.16 -0.14 -0.21 -0.05 -0.09 0.01 0.04 -0.05 0.02 -0.06 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.09 0.00 0.00 -0.00 -0.00 -0.05 -0.03 0.02 -0.05 -0.01 0.04 0.08 0.01 0.01 0.04 -0.09 0.01 -0.01 0.06 0.03 -0.09 0.02 -0.07 0.03 -0.00 0.05 0.04 -0.02 0.08 0.30 -0.17 -0.28 0.04 0.04 -0.13 -0.08 0.06 0.10 -0.23 -0.13 0.09 -0.09 0.15 0.14 0.01 0.45 0.06 -0.06 -0.05 -0.09 0.29 -0.28 -0.33 -0.00 -0.03 0.03 0.04 -0.05 -0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.01 0.05 0.04 -0.07 0.02 -0.06 -0.08 0.04 0.01 -0.02 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.03 -0.03 0.02 0.18 -0.03 -0.03 -0.02 -0.03 -0.13 -0.11 -0.00 0.05 -0.05 -0.05 0.04 0.02 -0.01 0.01 0.03 -0.00 -0.06 0.04 0.05 0.01 0.03 -0.01 -0.01 -0.01 0.01 0.02 0.03 0.00 -0.20 0.08 0.20 -0.24 0.15 0.37 -0.06 -0.00 0.03 -0.35 -0.16 0.14 -0.01 0.02 0.01 0.02 -0.34 -0.05 0.16 -0.20 -0.34 0.14 -0.21 -0.19 0.03 0.06 -0.01 -0.02 0.03 -0.01 0.04 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.03 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.18 -0.02 0.01 -0.01 -0.01 -0.20 -0.11 0.07 0.02 -0.03 -0.06 0.06 0.04 -0.02 -0.01 -0.08 -0.01 0.03 -0.02 -0.07 0.00 -0.00 0.02 0.02 -0.00 0.02 -0.02 0.00 -0.03 -0.19 0.12 0.19 -0.16 0.00 0.23 -0.30 -0.06 0.12 -0.24 -0.12 0.20 -0.09 0.31 0.08 0.02 0.39 0.18 -0.05 0.21 0.26 -0.16 0.18 0.18 -0.12 0.05 -0.07 -0.04 0.06 -0.13 -0.10 -0.02 -0.12 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.03 0.04 0.00 0.03 0.04 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.02 -0.01 0.05 0.04 0.02 0.01 0.02 -0.04 0.01 0.04 0.01 0.00 -0.01 -0.08 -0.09 0.04 -0.03 -0.13 0.01 0.01 0.00 -0.01 0.08 0.20 -0.06 -0.04 -0.09 0.03 0.00 -0.01 0.00 -0.06 0.01 0.02 0.03 -0.07 -0.01 0.48 0.10 -0.16 -0.18 -0.08 -0.23 -0.12 0.27 0.11 0.06 -0.08 0.24 -0.09 0.05 0.09 -0.00 -0.02 0.03 0.23 0.38 -0.05 -0.12 0.15 0.07 0.23 -0.05 -0.07 -0.01 -0.00 -0.01 0.03 0.01 -0.01 -0.03 -0.04 0.05 -0.03 0.06 0.06 -0.05 -0.00 0.02 -0.01 -0.03 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.02 0.03 0.01 0.04 0.02 -0.02 0.01 0.03 -0.01 0.00 -0.01 0.00 -0.01 0.13 0.03 -0.00 0.00 -0.00 0.08 0.03 -0.04 -0.02 0.02 0.03 -0.03 -0.01 -0.06 -0.01 -0.01 -0.07 -0.02 0.02 0.04 0.11 -0.03 0.13 -0.04 0.00 -0.06 0.01 -0.00 0.01 0.11 -0.10 -0.17 0.09 -0.05 -0.14 -0.42 -0.13 0.09 0.16 0.04 0.11 -0.16 0.47 0.08 0.11 -0.11 0.24 0.01 -0.11 -0.14 0.14 -0.14 -0.17 -0.01 0.04 -0.04 -0.08 0.13 -0.02 -0.11 -0.00 -0.01 -0.02 -0.01 -0.02 0.06 0.03 -0.02 0.01 -0.12 0.13 -0.07 0.14 0.15 -0.15 -0.02 0.06 -0.01 -0.05 -0.01 0.00 0.01 0.00 -0.02 0.01 0.01 -0.01 -0.01 0.00 0.05 0.05 0.02 0.10 0.04 -0.03 0.03 0.07 -0.02 0.00 0.02 -0.01 0.00 -0.04 -0.01 -0.02 -0.01 -0.01 0.10 0.04 -0.05 0.01 -0.00 -0.02 0.03 0.02 0.02 0.01 0.02 0.03 0.01 -0.01 -0.01 -0.07 -0.02 -0.05 0.02 0.01 0.02 0.02 -0.01 0.01 -0.09 0.02 0.04 -0.05 -0.03 0.09 0.09 0.01 -0.01 -0.06 -0.00 -0.04 0.06 -0.29 -0.02 -0.04 0.08 -0.10 -0.02 0.03 0.06 -0.02 0.04 0.03 -0.04 -0.09 0.03 0.06 -0.08 -0.01 0.02 0.01 0.02 -0.05 -0.02 -0.04 0.16 0.07 -0.05 -0.01 -0.25 0.27 -0.21 0.34 0.34 -0.35 -0.03 0.13 -0.04 -0.13 -0.02 0.01 0.02 0.00 -0.04 0.03 0.03 -0.04 -0.03 0.01 0.12 0.17 0.05 0.28 0.12 -0.09 0.08 0.21 -0.04 -0.00 -0.00 0.00 0.00 0.09 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.06 0.03 -0.04 0.00 -0.00 0.00 -0.03 -0.02 -0.01 -0.02 -0.01 0.04 -0.05 0.12 0.06 0.02 -0.02 0.15 -0.13 -0.04 0.09 0.06 0.02 0.16 -0.00 0.02 0.03 -0.00 0.03 -0.01 0.07 -0.04 0.03 0.21 -0.50 0.22 0.56 0.10 0.13 0.04 -0.01 -0.04 -0.05 -0.01 0.01 -0.16 -0.14 0.20 0.02 0.18 0.20 0.11 0.03 -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.02 -0.03 -0.01 -0.06 -0.02 0.01 -0.01 -0.04 0.00 -0.00 0.01 -0.00 -0.00 -0.05 -0.01 -0.01 -0.00 0.00 0.04 0.02 -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 0.01 -0.00 0.02 -0.04 0.02 -0.02 -0.02 0.01 -0.03 0.03 0.08 0.09 -0.00 0.05 -0.04 -0.06 -0.01 0.01 -0.01 -0.00 0.04 -0.02 0.07 0.01 0.01 0.02 0.05 -0.04 -0.01 -0.01 -0.04 -0.03 0.09 -0.01 0.01 -0.02 0.13 -0.34 0.10 0.37 0.06 0.03 -0.07 0.01 0.08 0.10 0.01 -0.03 0.33 0.25 -0.37 -0.03 -0.34 -0.37 -0.21 -0.05 0.06 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.01 -0.01 0.00 0.04 0.05 0.01 0.11 0.04 -0.02 0.03 0.08 -0.01 0.00 -0.02 0.01 -0.01 0.06 0.03 0.01 0.01 0.01 -0.03 0.00 0.02 -0.02 -0.00 -0.00 0.01 0.03 0.03 0.02 0.03 -0.05 -0.03 -0.01 -0.01 -0.01 -0.02 -0.00 0.00 0.01 -0.02 0.00 -0.02 0.02 0.08 0.10 0.09 0.03 0.05 -0.11 0.03 -0.30 -0.11 -0.07 0.05 -0.29 -0.36 -0.17 0.25 0.18 -0.06 0.37 0.23 0.06 -0.03 -0.07 0.15 -0.02 0.12 -0.05 0.05 -0.00 0.07 0.12 -0.08 0.00 0.05 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.02 0.00 0.01 0.00 0.00 -0.03 -0.00 -0.00 0.25 0.03 0.05 0.02 -0.00 -0.35 -0.17 0.14 -0.01 0.03 -0.02 -0.02 -0.03 -0.03 -0.01 -0.01 0.02 -0.02 0.01 -0.02 0.02 0.01 -0.00 -0.01 -0.00 -0.03 0.01 -0.01 0.03 -0.12 0.02 0.01 0.05 -0.21 -0.04 -0.06 0.36 0.14 0.16 -0.02 0.32 0.15 0.10 -0.10 -0.08 -0.03 -0.17 0.05 -0.02 -0.09 -0.08 -0.03 0.10 0.17 -0.10 0.09 -0.03 0.10 0.10 -0.06 0.00 0.18 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.02 -0.03 0.02 -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 -0.01 0.01 -0.00 -0.04 -0.00 -0.02 -0.01 -0.04 -0.01 0.01 -0.05 0.00 -0.01 0.48 0.08 0.05 0.02 -0.01 -0.37 -0.19 0.15 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.06 0.04 0.04 0.00 0.06 -0.04 -0.00 0.03 0.01 0.01 -0.00 0.02 0.05 0.03 -0.03 -0.03 0.00 -0.05 0.03 0.01 0.00 -0.01 0.02 -0.01 -0.01 0.03 -0.01 0.00 -0.01 -0.00 0.02 -0.00 -0.03 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.02 -0.02 0.03 0.00 0.02 0.02 0.02 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.03 0.00 -0.04 -0.05 -0.40 -0.07 0.40 -0.13 0.56 0.06 0.51 0.21 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.05 -0.02 0.02 0.02 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.02 0.02 -0.01 0.00 -0.02 0.01 -0.04 0.00 -0.00 -0.04 0.00 0.03 -0.02 -0.17 -0.10 -0.07 -0.05 -0.13 0.16 0.02 0.22 0.07 0.01 -0.04 0.19 -0.22 -0.17 0.16 0.11 0.02 0.24 -0.05 0.02 0.07 0.04 0.03 -0.04 0.32 -0.24 0.20 -0.06 0.24 0.20 -0.22 -0.00 0.34 -0.02 0.00 0.02 0.02 0.00 -0.01 0.07 0.06 -0.09 0.01 -0.08 -0.08 -0.04 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.09 -0.01 0.02 -0.03 0.10 0.00 0.05 0.02 -0.00 0.01 0.01 -0.01 -0.15 -0.01 -0.04 -0.02 0.01 0.24 0.14 -0.09 -0.00 -0.04 0.01 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.02 -0.03 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.03 -0.04 -0.00 0.23 0.09 0.09 0.00 0.29 -0.12 0.00 0.19 0.05 0.05 -0.02 0.17 0.05 0.03 -0.03 -0.03 0.02 -0.06 0.26 0.15 0.11 0.00 0.26 -0.17 0.16 0.04 0.04 -0.02 0.09 0.15 -0.04 -0.01 0.01 0.01 0.00 -0.00 -0.02 -0.01 0.01 0.02 -0.01 0.01 -0.02 -0.00 -0.03 0.02 -0.00 -0.00 0.02 0.04 0.00 -0.01 -0.03 -0.00 -0.01 -0.00 0.00 -0.02 -0.05 0.01 -0.05 0.39 0.04 0.32 0.19 -0.28 -0.01 0.14 0.12 -0.00 0.04 -0.01 -0.00 -0.25 -0.04 0.02 0.01 0.00 -0.05 -0.02 0.03 0.00 0.03 -0.01 0.01 0.01 0.01 0.00 0.01 -0.01 0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.03 -0.00 -0.17 -0.07 -0.07 0.01 -0.23 0.09 -0.00 -0.13 -0.04 -0.04 0.01 -0.12 -0.06 -0.03 0.03 0.03 -0.01 0.06 -0.25 -0.14 -0.10 -0.02 -0.24 0.19 -0.08 -0.08 0.00 0.01 -0.04 -0.09 0.00 0.01 0.06 0.01 -0.00 -0.00 -0.04 -0.02 0.01 -0.06 0.02 -0.01 0.07 -0.02 0.01 0.06 0.00 -0.02 0.03 0.05 0.00 -0.00 -0.04 -0.01 -0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.26 0.36 -0.01 0.41 0.18 -0.21 -0.10 0.18 0.33 0.00 -0.03 0.01 0.00 0.16 0.03 -0.01 -0.00 -0.00 0.04 0.02 -0.02 -0.02 -0.04 -0.01 0.01 0.02 0.01 -0.01 -0.02 0.02 0.03 0.03 -0.02 0.01 0.00 0.01 -0.02 0.01 -0.05 -0.01 0.01 -0.02 0.25 0.20 0.22 -0.02 0.33 -0.15 -0.02 -0.19 -0.05 -0.13 -0.02 -0.13 0.12 0.11 -0.08 -0.07 0.09 -0.11 -0.32 -0.12 -0.07 -0.05 -0.27 0.26 0.26 -0.17 0.14 -0.02 0.10 0.20 -0.06 0.02 0.27 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.05 -0.04 0.06 0.02 0.05 0.07 0.02 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.14 -0.01 0.03 -0.04 -0.00 -0.01 0.07 0.01 -0.13 -0.00 -0.01 0.01 -0.01 -0.03 0.01 0.00 0.00 0.00 0.04 0.03 -0.00 -0.00 -0.01 -0.00 -0.02 -0.03 -0.02 0.01 0.03 -0.03 0.02 0.01 -0.00 -0.01 0.00 -0.02 0.03 -0.01 0.04 -0.00 0.01 -0.01 0.08 0.08 0.09 0.03 0.09 -0.09 0.04 0.29 0.07 0.13 -0.01 0.22 -0.21 -0.18 0.14 0.11 -0.08 0.21 -0.16 -0.11 -0.09 -0.04 -0.15 0.16 -0.21 0.06 -0.08 -0.01 -0.01 -0.21 -0.03 -0.03 -0.14 0.01 -0.00 -0.00 -0.03 -0.01 0.01 -0.00 -0.00 0.00 0.03 -0.01 0.00 0.03 -0.00 -0.01 0.02 0.04 0.00 -0.02 -0.02 0.00 0.00 -0.01 -0.00 -0.05 -0.02 0.02 0.44 0.06 0.09 0.06 0.03 -0.04 0.22 0.17 -0.35 0.00 -0.01 0.00 0.00 0.03 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.00 0.02 0.02 0.02 -0.00 -0.02 0.02 -0.02 -0.01 0.01 0.01 -0.00 0.01 -0.02 0.01 -0.03 0.01 0.00 0.01 -0.21 -0.16 -0.17 -0.01 -0.28 0.16 -0.02 -0.24 -0.06 -0.10 0.01 -0.20 0.14 0.13 -0.09 -0.07 0.04 -0.14 0.16 0.09 0.07 0.04 0.14 -0.16 0.09 -0.07 0.05 0.01 -0.03 0.09 0.04 0.02 0.11 0.01 0.00 -0.00 -0.03 -0.02 0.01 -0.02 0.03 -0.04 0.03 -0.04 -0.04 0.04 -0.00 -0.02 0.02 0.05 0.00 -0.02 -0.02 0.00 0.00 -0.01 -0.00 -0.05 -0.03 0.02 0.46 0.06 0.10 0.09 0.03 -0.03 0.24 0.21 -0.36 0.00 0.00 -0.01 0.00 0.04 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 0.02 -0.00 0.01 0.02 -0.00 0.01 0.02 -0.01 -0.04 -0.06 0.01 -0.01 -0.02 0.00 -0.02 -0.04 0.00 -0.10 -0.11 -0.11 -0.01 -0.11 0.09 -0.05 -0.01 0.02 0.07 0.03 0.03 -0.00 -0.08 0.00 -0.00 0.08 -0.02 -0.16 -0.07 -0.06 -0.05 -0.15 0.17 0.33 0.48 -0.06 0.02 0.11 0.49 -0.01 -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.02 0.00 0.03 -0.01 -0.01 -0.11 -0.02 0.02 0.01 0.00 -0.06 -0.03 0.03 -0.03 -0.00 -0.03 0.01 0.02 -0.00 0.01 0.02 -0.00 0.00 -0.02 0.03 -0.02 -0.04 0.01 -0.01 -0.01 0.00 0.09 0.17 -0.02 0.07 0.25 0.26 -0.00 0.09 -0.12 -0.06 0.01 0.02 0.02 0.01 0.05 0.03 -0.05 -0.02 -0.01 -0.01 -0.06 0.13 0.04 0.07 0.15 0.12 -0.29 0.15 0.26 -0.04 0.01 0.05 0.24 0.01 -0.02 -0.25 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.08 0.03 -0.03 0.10 -0.02 0.07 0.02 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 0.01 0.01 -0.02 -0.00 0.00 0.01 0.00 -0.13 0.03 -0.00 0.47 0.11 -0.10 -0.06 -0.01 0.32 0.15 -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 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.00 -0.11 -0.01 0.04 -0.03 -0.01 0.00 0.01 -0.00 0.00 0.27 0.04 -0.09 0.66 -0.20 -0.35 -0.04 0.04 0.03 -0.40 0.13 0.22 0.02 0.01 -0.01 -0.02 -0.11 -0.05 -0.19 -0.09 0.06 -0.00 -0.12 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.06 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 0.05 0.01 0.01 -0.00 0.02 -0.07 -0.00 0.03 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.32 0.32 0.83 0.20 0.07 -0.05 0.03 -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 0.01 -0.01 -0.01 -0.06 -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 -0.01 0.01 -0.00 -0.00 -0.00 0.03 -0.02 0.05 -0.09 0.21 0.04 -0.14 0.01 -0.16 0.87 0.08 -0.33 0.01 -0.04 0.04 -0.06 -0.01 -0.03 -0.02 0.02 0.05 0.03 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 -0.06 -0.03 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 0.00 0.02 -0.06 0.05 -0.03 -0.01 -0.02 0.10 -0.08 0.20 -0.35 0.85 0.15 0.03 -0.00 0.03 -0.21 -0.02 0.08 -0.01 0.02 -0.02 0.02 0.01 0.01 0.02 -0.02 -0.06 -0.02 -0.01 0.00 -0.01 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.07 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.08 0.00 -0.03 -0.21 0.67 -0.52 0.39 0.10 0.23 -0.00 0.00 0.01 -0.02 -0.01 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.07 0.03 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.00 0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.02 -0.02 0.01 0.00 0.01 0.09 -0.09 -0.24 0.67 0.29 -0.11 0.05 -0.61 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 -0.03 -0.01 0.02 0.01 0.03 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 0.01 -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 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 0.02 -0.01 -0.09 -0.05 0.61 0.12 -0.41 -0.18 -0.53 0.20 -0.27 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.06 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.15 0.55 -0.43 0.58 0.12 0.33 0.02 -0.01 0.04 -0.03 0.07 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.02 0.02 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 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 0.00 -0.00 0.01 -0.02 0.02 -0.03 -0.01 -0.02 0.02 -0.01 0.04 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.01 0.06 0.00 0.00 0.00 -0.09 -0.46 -0.31 0.37 0.60 -0.43 -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 -0.01 0.03 -0.00 0.03 -0.06 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.02 -0.03 -0.01 -0.02 0.04 -0.03 0.08 0.01 -0.02 -0.01 -0.28 0.02 -0.35 -0.06 -0.01 0.03 0.09 -0.31 0.23 0.66 0.19 0.38 -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 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.04 -0.02 0.04 -0.03 0.03 -0.05 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.08 0.32 -0.25 -0.40 -0.09 -0.22 0.28 -0.22 0.60 0.05 -0.13 -0.03 -0.10 0.00 -0.13 -0.04 -0.00 0.02 -0.02 0.07 -0.05 -0.14 -0.04 -0.08 -0.00 -0.00 -0.00 0.08 0.03 -0.01 -0.01 0.12 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.04 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 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 -0.04 -0.08 0.01 -0.00 -0.00 0.00 0.02 -0.09 0.07 0.12 0.03 0.07 -0.03 0.02 -0.06 0.00 0.00 0.00 -0.06 0.00 -0.07 -0.03 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 0.57 0.24 -0.10 -0.07 0.74 -0.05 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 0.03 -0.01 0.03 0.00 -0.01 0.01 -0.05 0.00 -0.05 -0.03 0.01 -0.02 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.05 0.23 -0.17 -0.26 -0.06 -0.15 -0.04 0.03 -0.09 -0.01 0.04 0.01 0.48 -0.03 0.60 0.16 0.01 -0.07 0.04 -0.15 0.11 0.29 0.09 0.17 -0.00 -0.00 0.00 0.09 0.03 -0.01 -0.01 0.12 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.02 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.04 0.02 -0.04 -0.03 0.03 -0.04 -0.02 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 0.08 -0.33 0.26 0.37 0.09 0.20 0.26 -0.21 0.56 0.06 -0.15 -0.03 0.22 -0.02 0.28 0.07 0.00 -0.03 0.02 -0.06 0.04 0.10 0.03 0.06 -0.00 0.00 0.00 -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.04 -0.02 -0.03 -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.02 -0.08 -0.11 -0.05 0.69 -0.00 -0.01 -0.02 0.59 -0.24 0.30 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 0.00 0.01 0.04 -0.03 0.07 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.09 -0.02 -0.00 0.01 0.00 0.12 0.66 0.48 0.24 0.39 -0.29 0.00 -0.08 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.05 -0.07 -0.04 -0.04 -0.04 0.32 -0.24 0.78 0.34 -0.26 0.10 -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 -0.01 0.00 0.01 -0.08 -0.03 0.01 0.05 0.04 0.03 0.04 -0.03 -0.09 0.94 0.32 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.00 -0.04 -0.03 0.02 -0.06 0.43 -0.24 0.87 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 -0.06 0.54 -0.10 0.83 -0.00 0.00 -0.00 0.02 -0.01 0.05 6 6 6 6 7 6 5 1 1 1 1 1 1 1 1 1 1 1 6 6 1 1 1 6 8 8 6 1 1 1 7 1 7 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 6 6 6 6 7 6 5 1 1 1 1 1 1 1 1 1 1 1 6 6 1 1 1 6 8 8 6 1 1 1 7 1 7 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 11.00931 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 14.00307 1.00783 14.00307 1.00783 212.15703 1566.09079 4939.17705 5744.21693 0.99988 0.01533 0.00358 -0.01525 0.99965 -0.02142 -0.0039 0.02136 0.99976 asymmetric 1 0.05531 0.01754 0.01508 1.15239 0.36539 0.31418 777658.6 46.83 70.84 88.26 165.94 180.64 202.43 209.68 212.37 237.59 244.34 268.39 293.49 346.85 379.48 418.76 489.80 552.99 587.83 614.92 624.72 744.28 795.03 875.93 924.90 942.37 980.32 1028.83 1034.68 1110.97 1119.70 1158.54 1172.95 1211.16 1234.17 1255.45 1284.35 1403.35 1509.80 1521.74 1532.62 1578.88 1597.12 1635.84 1656.12 1664.91 1686.43 1704.53 1721.25 1748.07 1754.93 1765.34 1816.17 1824.43 1837.71 1875.74 1894.67 1964.10 1969.65 1975.03 1999.83 2028.98 2037.11 2039.14 2078.80 2084.99 2100.89 2102.47 2110.26 2114.88 2119.74 2126.44 2133.97 2144.82 2148.91 2164.01 2183.15 2585.09 4233.99 4303.80 4324.76 4383.08 4396.44 4399.00 4411.74 4435.19 4466.00 4480.41 4484.08 4495.20 4505.34 4537.38 4554.42 4590.07 4645.74 5180.25 5183.10 0.296195 0.312470 0.313414 0.251676 -692.948793 -692.932518 -692.931573 -692.993311 196.078 60.520 129.938 0.000 0.000 1.377 0.889 2.981 41.960 0.889 2.981 32.163 194.300 54.558 54.437 1 0.594 1.983 5.668 2 0.595 1.978 4.848 3 0.597 1.973 4.413 4 0.608 1.937 3.177 5 0.610 1.928 3.013 6 0.615 1.913 2.794 7 0.617 1.907 2.727 8 0.617 1.905 2.703 9 0.624 1.885 2.490 10 0.625 1.880 2.437 11 0.632 1.858 2.262 12 0.640 1.834 2.097 13 0.658 1.777 1.795 14 0.670 1.739 1.637 15 0.687 1.690 1.468 16 0.720 1.595 1.210 17 0.753 1.504 1.022 18 0.773 1.452 0.932 19 0.789 1.411 0.867 20 0.795 1.396 0.845 21 0.872 1.212 0.616 22 0.908 1.134 0.539 23 0.968 1.013 0.435 0.299942e+21 20.477037 47.150121 0.517453e+06 5.713871 13.156673 0.200000e+01 0.301030 0.693147 0.121462e+09 8.084440 18.615111 0.238614e+07 6.377697 14.685190 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.1834 2.3303 0.6042 4.8266 -96.2141 -89.0741 -89.3174 8.7238 6.9793 -3.1557 -4.6789 2.4611 2.2178 8.7238 6.9793 -3.1557 -42.2667 16.5156 -10.0944 7.1432 36.3835 8.8161 -2.9613 1.8650 3.5798 -0.6095 -3475.0515 -1006.7621 -379.9652 197.6193 103.9569 0.0921 -10.3358 12.7108 3.6738 -714.2765 -631.4515 -237.9715 -23.2253 6.4525 10.2182 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -693.2449872 0.758531 0. 0.75005 3.393E-9 6.558E-6 0.2961945 0.3124695 -692.9325177 -692.9315735 -692.9933111 -3.0440525,1.202809,1.8412435,6.7407675,5.0064411,-2.4548866 C01 [X(C9H19B1N3O2)] -1.6028937 0.9965593 0.2085302 0.1361221 0.0298091 -0.0554321 -0.0744396 0.5089649 0.101878 0.006238 0.1998199 0.271216 0.5383274 0.2525317 0.0509713 0.2122158 0.4062977 0.131299 0.0022921 0.143591 0.1481476 0.247123 0.0768282 -0.1325503 0.1227172 0.6149196 -0.2009455 -0.1644737 -0.1451381 0.2241472 0.4758629 0.0681321 -0.1691863 0.1448355 0.2273557 -0.0181843 -0.2915011 -0.150473 0.3526155 -0.8069362 -0.0692169 -0.0576969 -0.0781223 -0.8050416 0.071205 -0.0395273 0.0423691 -0.6393716 0.3968123 -0.1726921 0.1222383 -0.1781945 0.18148 -0.0206851 0.1862202 -0.0472021 0.5350252 1.3969424 0.2291397 0.1659019 0.1779808 1.2431276 -0.1601035 0.6426741 -0.2817813 0.5881319 0.0327975 0.0744544 -0.0017996 0.0100921 -0.1122277 0.0637722 0.0203569 0.0916384 -0.0451296 -0.0543513 -0.0835765 -0.0379883 -0.0540505 0.0517938 -0.0218237 -0.0543832 -0.0705668 -0.0217904 -0.0068754 -0.0224793 -0.0508925 -0.0041592 0.0485272 0.0925575 -0.0515603 0.0465395 -0.0783138 -0.0500802 0.0802936 0.0400731 0.0190038 -0.2325462 -0.0930997 0.0321592 -0.0253112 0.0413482 0.0236321 0.0109783 -0.1193819 -0.0115991 -0.0051533 -0.0032046 -0.0861776 0.006172 -0.0482911 -0.2258171 -0.0674725 0.1554948 0.0008248 -0.0405825 0.0159152 0.079831 0.0052171 0.0074628 0.0521834 0.0535574 -0.0083983 -0.0013253 -0.1073008 0.0796224 0.0582401 0.1164318 -0.0590769 -0.1353434 -0.0744737 -0.0411951 0.0075914 0.0460049 -0.0218133 -0.0648255 -0.0519285 -0.0264057 -0.0271454 0.0459685 0.1056642 0.0283294 -0.0118893 -0.103301 -0.0152856 -0.0251391 -0.2277434 -0.1552785 -0.0305377 -0.0177926 -0.1040648 0.0597934 -0.0017404 0.0398294 0.0198388 0.0222747 0.075466 -0.0135462 -0.0090773 0.0682145 -0.1544612 0.0428472 -0.0197684 -0.0086845 0.0280633 -0.7458373 0.1509113 -0.1203943 0.3172334 -0.1542822 0.0352604 -0.262485 0.039075 -0.1937944 0.0241654 -0.1700072 -0.1054664 -0.4330764 -0.0157166 0.1019786 -0.2549311 0.1791566 -0.1044136 0.1081237 -0.0283082 0.0105896 -0.0304065 0.0003524 -0.077166 0.0685409 -0.0840604 0.0226952 0.0611465 -0.0608118 0.0775841 -0.0627874 -0.0145323 0.052475 0.1460617 0.0476139 0.0182609 0.0190168 0.0003126 0.0268781 -0.0080928 -0.0012217 -0.0321422 0.0501631 -0.0592012 0.0962383 1.4561848 -0.0075838 -0.2342682 0.4861807 1.4684463 0.2806148 -0.2556867 0.3777077 0.4932146 -0.8366069 -0.2650614 0.0383762 -0.5165059 -1.381453 -0.2138956 -0.0033157 -0.249728 -0.3633328 -1.1686821 0.2030244 0.2257483 0.0075186 -0.6253375 -0.0830192 0.3147741 -0.172435 -0.4691258 0.6740499 0.3317366 0.0169087 0.3715502 0.5747293 0.0069807 -0.0431648 -0.0481224 0.2621215 0.0030899 -0.0685018 -0.0177441 -0.035553 0.0191933 -0.0220414 0.0457561 0.0592538 -0.0826857 0.0427338 0.0478149 0.0351631 -0.0302691 -0.0942965 -0.0511942 0.016309 -0.0652531 0.0463092 -0.0964313 -0.0554716 -0.0617393 0.0491115 0.0033235 0.0476171 -0.0538332 0.0339078 0.0221337 -0.7178569 -0.2264068 0.2386716 -0.0610814 -1.0490054 0.0056162 0.1486826 0.1999612 -0.5524238 0.1797448 0.0295371 -0.190223 0.0381239 0.0780119 -0.0091351 -0.1127259 -0.0295736 0.1375604 -0.9615522 -0.2468621 0.1824131 -0.3734964 -0.9564013 -0.1653207 -0.0681114 -0.1836037 -0.5023736 0.0452694 -0.0220204 -0.0614501 -0.0042994 0.2291274 0.1691762 -0.0163721 0.0899085 0.0973061 155.8088975|4.0376973|131.3560528|-1.1288432|-1.0222196|105.5984712 0.000008299 -0.000003069 -0.000012295 -0.000006718 -0.000009502 -0.000005099 0.000006099 0.000014117 -0.000008539 0.000012614 -0.000000776 -0.000008522 0.000006746 -0.000013515 -0.000010724 -0.000002856 0.000012350 -0.000007888 0.000001580 0.000005356 0.000016214 0.000003935 0.000001857 -0.000000020 0.000000186 0.000002569 0.000002131 0.000002367 -0.000000847 0.000000899 0.000002419 0.000001525 0.000005600 -0.000002696 0.000000348 0.000002673 -0.000000438 -0.000004539 0.000005569 -0.000001295 -0.000001831 -0.000000742 0.000001020 -0.000003768 -0.000003018 0.000002739 -0.000003040 0.000005237 0.000003846 -0.000001135 0.000000655 0.000000457 -0.000000992 0.000000648 0.000000341 -0.000005914 -0.000009407 0.000003339 0.000004866 0.000003562 -0.000002589 0.000002712 0.000000249 0.000002601 0.000000288 -0.000000714 0.000001475 -0.000001560 0.000001822 -0.000008033 -0.000004802 0.000002041 0.000002863 0.000006616 0.000000880 0.000007607 -0.000002415 -0.000004454 -0.000003435 -0.000001428 0.000001452 0.000000254 0.000001249 0.000000429 -0.000000291 0.000000365 0.000000827 0.000000262 0.000000704 0.000000606 -0.000038356 0.000001800 0.000016977 0.000004843 0.000003228 0.000001385 -0.000006338 -0.000004897 -0.000002481 -0.000002845 0.000004081 0.000004047 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.2345,1.7684,-.3247;-1.4127,1.6875,.7126;-2.768,-.4471,.9568;-2.5368,-1.6959,.0392;-2.5254,.8413,.3559;-3.3456,1.2291,-.7518;-.4131,-.6535,-.4958;-.3791,2.6402,-.9814;.7035,1.9463,.2253;-1.0188,1.3203,1.6716;-1.7672,2.7185,.9082;-2.1148,-.5256,1.8382;-3.8063,-.5057,1.342;-2.3557,-2.5682,.6918;-3.465,-1.9239,-.5074;-2.9894,.8552,-1.7377;-4.3761,.857,-.6202;-3.4005,2.328,-.8248;.4168,-1.058,.8281;1.6824,-1.5985,.2875;.6194,-.1947,1.4763;-.1181,-1.8348,1.3948;1.739,-2.6282,-.0722;2.8774,-.8102,.0524;2.7746,.4571,.5125;3.8819,-1.2247,-.4875;3.8904,1.2909,.2777;4.092,1.3858,-.7996;3.6388,2.2711,.7;4.7935,.8918,.7632;-.1164,.5808,-1.1619;-.6548,.7042,-2.0136;-1.4657,-1.5271,-.9402;-1.8615,-1.243,-1.831; Gaussian 16 25-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 96 C1[X(C9H19BN3O2)] 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 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.2345,1.7684,-.3247;-1.4127,1.6875,.7126;-2.768,-.4471,.9568;-2.5368,-1.6959,.0392;-2.5254,.8413,.3559;-3.3456,1.2291,-.7518;-.4131,-.6535,-.4958;-.3791,2.6402,-.9814;.7035,1.9463,.2253;-1.0188,1.3203,1.6716;-1.7672,2.7185,.9082;-2.1148,-.5256,1.8382;-3.8063,-.5057,1.342;-2.3557,-2.5682,.6918;-3.465,-1.9239,-.5074;-2.9894,.8552,-1.7377;-4.3761,.857,-.6202;-3.4005,2.328,-.8248;.4168,-1.058,.8281;1.6824,-1.5985,.2875;.6194,-.1947,1.4763;-.1181,-1.8348,1.3948;1.739,-2.6282,-.0722;2.8774,-.8102,.0524;2.7746,.4571,.5125;3.8819,-1.2247,-.4875;3.8904,1.2909,.2777;4.092,1.3858,-.7996;3.6388,2.2711,.7;4.7935,.8918,.7632;-.1164,.5808,-1.1619;-.6548,.7042,-2.0136;-1.4657,-1.5271,-.9402;-1.8615,-1.243,-1.831; chk=89_p_COOMe.chk Mem=12000MB NProc=8 #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 12 12 12 12 14 12 11 1 1 1 1 1 1 1 1 1 1 1 12 12 1 1 1 12 16 16 12 1 1 1 14 1 14 1 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 11.0093053 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 0 0 0 0 2 0 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 0 0 1 1 1 2 1 2 1 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 3.6000000 2.7500000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "89_p_COOMe.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 825 A 731 A 731 1088 825 58 57 1078.5161235891 34 34 34 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 -0.0309030846 0.000000 1.571818 0.000000 3.601278 2.540296 0.000000 4.175485 3.628345 1.566833 0.000000 2.563343 1.442709 1.442222 2.556992 0.000000 3.186225 2.467968 2.462191 3.136176 1.431793 0.000000 2.434487 2.817710 2.774510 2.425481 2.724239 3.494148 0.000000 1.100972 2.201264 4.358325 4.949729 3.103376 3.293079 3.329496 0.000000 1.101875 2.186951 4.279638 4.878611 3.415267 4.226654 2.919944 1.763363 0.000000 2.191114 1.099773 2.587378 3.750592 2.056757 3.360791 2.993354 3.031390 2.334527 0.000000 2.184457 1.107649 3.320368 4.564483 2.098449 2.732213 3.895489 2.345944 2.677154 1.760027 0.000000 3.670952 2.580236 1.099949 2.187327 2.057771 3.361849 2.891259 4.580933 4.081016 2.153202 3.392591 0.000000 4.550518 3.306942 1.109004 2.173826 2.104227 2.757879 3.861718 5.200101 5.253408 3.348612 3.839469 1.762931 0.000000 4.933378 4.358920 2.176936 1.104307 3.430199 4.181274 2.974844 5.816669 5.473301 4.226983 5.323672 2.354645 2.603972 0.000000 4.909440 4.329300 2.193272 1.100987 3.045454 3.164751 3.305747 5.529850 5.735195 4.610510 5.141805 3.046354 2.355424 1.756024 0.000000 3.227976 3.030335 3.000841 3.141706 2.144434 1.112987 3.233509 3.251518 4.322238 3.965185 3.459233 3.931756 3.464691 4.245385 3.076261 0.000000 4.250927 3.353780 2.602560 3.214848 2.092358 1.103472 4.242890 4.391636 5.263448 4.091204 3.550623 3.615089 2.455999 4.187508 2.928586 1.780957 0.000000 3.253738 2.593346 3.357836 4.205282 2.090441 1.102678 4.233442 3.041601 4.253426 3.594396 2.413149 4.109455 3.590207 5.231055 4.264245 1.780918 1.776872 0.000000 3.121148 3.301189 3.245420 3.123024 3.533674 4.677858 1.614002 4.193345 3.077588 2.903230 4.363251 2.777146 4.289943 3.160023 4.195422 4.673924 5.360631 5.363647 0.000000 3.922398 4.534044 4.645382 4.227646 4.864437 5.861402 2.428536 4.881207 3.678011 4.210858 5.560668 4.239567 5.694878 4.172480 5.218552 5.652217 6.599885 6.518467 1.478525 0.000000 2.797565 2.873132 3.436283 3.778977 3.495449 4.765756 2.272792 3.882453 2.481132 2.239867 3.808548 2.777760 4.438618 3.885825 4.858723 4.945207 5.518671 5.274306 1.098399 2.124551 0.000000 3.994177 3.814170 3.023167 2.776159 3.746477 4.940849 2.248729 5.073478 4.042290 3.292846 4.867121 2.428425 3.920696 2.457337 3.850657 5.029189 5.425520 5.747141 1.100357 2.126898 1.800181 0.000000 4.825823 5.401315 5.111696 4.377735 5.514182 6.418253 2.951376 5.750556 4.699689 5.122228 6.468523 4.787736 6.103740 4.165813 5.269460 6.104559 7.059861 7.179493 2.241523 1.092220 3.094100 2.496119 0.000000 4.059006 5.007904 5.728917 5.486218 5.657732 6.597822 3.339559 4.855785 3.514864 4.726670 5.895476 5.309599 6.813787 5.557356 6.463712 6.355879 7.472954 7.073201 2.591851 1.450760 2.739540 3.438762 2.148572 0.000000 3.387548 4.368908 5.633457 5.750750 5.316240 6.296955 3.523043 4.116239 2.567071 4.059405 5.089099 5.160350 6.702513 5.958532 6.755900 6.200472 7.250900 6.589477 2.820349 2.338563 2.449241 3.794643 3.306531 1.352153 0.000000 5.092126 6.160603 6.849182 6.457479 6.784737 7.637226 4.332821 5.773819 4.545917 5.929174 7.029129 6.469694 7.935471 6.488629 7.380075 7.287189 8.517326 8.109786 3.710142 2.361786 3.944752 4.462627 2.594965 1.213328 2.248172 0.000000 4.195929 5.335607 6.914924 7.091362 6.431988 7.309122 4.785332 4.651240 3.253979 5.103310 5.868897 6.465023 7.974936 7.353715 8.065561 7.182150 8.326404 7.446377 4.229193 3.636478 3.787221 5.204454 4.484432 2.343445 1.412562 2.629447 0.000000 4.369251 5.716529 7.314620 7.358096 6.739507 7.439363 4.954484 4.647209 3.584146 5.677229 6.246811 7.009626 8.399222 7.709084 8.255133 7.162898 8.486430 7.551540 4.704074 3.986709 4.442575 5.736960 4.709283 2.650199 2.078351 2.637482 1.100153 0.000000 4.038012 5.085100 6.964362 7.369738 6.337210 7.209411 5.138255 4.371088 2.991109 4.851953 5.428515 6.497755 7.972010 7.704067 8.337892 7.202812 8.245067 7.202817 4.634745 4.355641 3.974911 5.608598 5.311193 3.239432 2.018116 3.700002 1.096540 1.799440 0.000000 5.218542 6.257185 7.681614 7.807368 7.330418 8.285790 5.575162 5.732003 4.257860 5.898467 6.811832 7.133660 8.731850 7.942774 8.817372 8.174945 9.273436 8.469165 4.791848 4.013367 4.371792 5.653143 4.734807 2.659669 2.080342 2.622038 1.100272 1.782865 1.799942 0.000000 1.457785 2.533542 3.546338 3.533394 2.859162 3.319064 1.433662 2.083902 2.112165 3.064271 3.402937 3.770728 4.589734 4.285648 4.232661 2.942939 4.302868 3.735198 2.632516 3.175844 2.846550 3.517410 3.863663 3.517441 3.343205 4.438577 4.316382 4.299939 4.519450 5.283007 0.000000 2.039960 2.995568 3.822862 3.676521 3.021976 3.017944 2.050777 2.211254 2.898386 3.754002 3.719064 4.298889 4.759842 4.573920 4.131969 2.355664 3.976537 3.404238 3.511270 4.007535 3.822425 4.283929 4.539223 4.363308 4.266546 5.160561 5.123803 4.946732 5.315457 6.118033 1.015139 0.000000 3.571361 3.614955 2.541791 1.461167 2.900347 3.341536 1.438237 4.306822 4.257756 3.889548 4.640248 3.023866 3.424901 2.130577 2.083740 2.938132 3.775783 4.314880 2.625012 3.379790 3.458634 2.713454 3.498039 4.512390 4.901793 5.375212 6.173503 6.276316 6.570591 6.923199 2.512573 2.605462 0.000000 3.739553 3.906277 3.037536 2.039297 3.093137 3.078705 2.056207 4.242500 4.580331 4.421362 4.817157 3.747231 3.793900 2.892180 2.187883 2.383931 3.492748 4.016582 3.506483 4.144102 4.265155 3.714174 4.239785 5.117753 5.465866 5.898428 6.629591 6.589215 7.000588 7.454966 2.611386 2.298067 1.015292 0.000000 C9H19BN3O2(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 0 192.9262 AuxInfo=1/0/N:6,27,20,19,1,4,2,3,24,7,31,33,5,26,25/E:(5,6)(7,8)(11,12)/CRV:3.3,9.3,14.1/rA:34nCCCCNCBHHHHHHHHHHHCC3HHHC3OO1CHHHNHNH/rB:s1;;s3;s2s3;s5;;s1;s1;s2;s2;s3;s3;s4;s4;s6;s6;s6;s7;s19;s19;s19;s20;s20;s24;s24;s25;s27;s27;s27;s1s7;s31;s4s7;s33;/rC:-.3405,1.7639,-.3281;-1.4897,1.6326,.7362;-2.7305,-.565,1.026;-2.4574,-1.8082,.1123;-2.5662,.729,.4107;-3.4293,1.0661,-.6808;-.4011,-.6652,-.478;-.5432,2.622,-.9874;.5994,1.993,.1993;-1.0567,1.2935,1.6885;-1.8912,2.6461,.9325;-2.0546,-.6035,1.893;-3.7557,-.6724,1.4351;-2.2182,-2.6649,.7668;-3.3848,-2.0868,-.4115;-3.0768,.7024,-1.6719;-4.4367,.6441,-.5232;-3.541,2.1603,-.7603;.4774,-1.0169,.8296;1.7561,-1.4978,.2644;.6507,-.1392,1.4669;-.0052,-1.8148,1.4137;1.8564,-2.5263,-.0893;2.9045,-.6527,-.0034;2.7486,.6116,.45;3.9163,-1.0208,-.5629;3.8155,1.4983,.1842;3.9881,1.5943,-.8981;3.5245,2.4681,.6051;4.7482,1.1489,.6519;-.1816,.5769,-1.1593;-.7444,.6662,-1.9995;-1.4181,-1.594,-.8923;-1.8474,-1.3374,-1.7758; 1.1523861 0.3653931 0.3141840 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= 820 820 820 820 820 MxSgAt= 34 MxSgA2= 34. 1 open 1 1 1 -693.646725947776 -693.822354859220 -0.175628911444 -694.004518301758 -0.182163442538 -694.004800448941 -0.000282147183 -694.004863035654 -0.000062586713 -694.004876596611 -0.000013560957 -694.004877585230 -0.000000988620 -694.004877911704 -0.000000326474 -694.004877973475 -0.000000061771 -694.004878000426 -0.000000026951 -694.004878009003 -0.000000008577 -694.004878010706 -0.000000001703 -694.004878010995 -0.000000000289 -694.004878011047 -0.000000000053 -694.004878011 14 0.7584 6.903408292484e+02 -3.775251957034e+03 1.312421029270e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1571488188 LenY= 1570806738 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. 0.7584 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 C C C C N C B H H H H H H H H H H H C C H H H C O O C H H H N H N H 13 13 13 13 14 13 11 1 1 1 1 1 1 1 1 1 1 1 13 13 1 1 1 13 17 17 13 1 1 1 14 1 14 1 0.00195 0.00000 -0.00011 0.00088 0.00014 -0.00006 0.03935 0.00006 0.00013 0.00000 -0.00001 0.00001 -0.00002 -0.00005 -0.00003 0.00004 0.00002 0.00001 -0.01943 0.05062 0.00705 0.00982 -0.01159 -0.03813 -0.00485 0.01974 -0.00141 0.00098 0.00001 0.00104 -0.00257 0.00017 -0.00426 0.00087 2.19611 0.00107 -0.12601 0.98882 0.04518 -0.06812 56.44052 0.24724 0.59412 0.00836 -0.03291 0.06194 -0.07479 -0.24132 -0.15143 0.18063 0.09034 0.05949 -21.83942 56.90401 31.53155 43.89081 -51.81889 -42.86657 2.94285 -11.96482 -1.58793 4.38595 0.02845 4.64192 -0.83147 0.75725 -1.37801 3.88513 0.78362 0.00038 -0.04496 0.35283 0.01612 -0.02431 20.13938 0.08822 0.21200 0.00298 -0.01174 0.02210 -0.02669 -0.08611 -0.05403 0.06445 0.03223 0.02123 -7.79285 20.30476 11.25124 15.66133 -18.49027 -15.29586 1.05008 -4.26934 -0.56661 1.56501 0.01015 1.65635 -0.29669 0.27020 -0.49171 1.38631 0.73254 0.00036 -0.04203 0.32983 0.01507 -0.02272 18.82653 0.08247 0.19818 0.00279 -0.01098 0.02066 -0.02495 -0.08049 -0.05051 0.06025 0.03013 0.01985 -7.28485 18.98113 10.51779 14.64040 -17.28492 -14.29875 0.98163 -3.99103 -0.52968 1.46299 0.00949 1.54838 -0.27735 0.25259 -0.45966 1.29594 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 -0.002186 0.001075 0.003138 0.003849 0.003033 0.001212 -0.018158 -0.000705 -0.001637 0.000140 0.000126 0.002676 0.001547 0.002712 0.002007 0.001125 0.000972 0.000586 -0.003820 -0.293196 -0.003316 0.007250 -0.050816 0.025213 -0.019988 -0.169615 -0.001659 -0.001140 -0.001092 0.000750 0.016088 0.001021 -0.000868 0.002190 0.004979 0.000868 -0.001580 -0.002413 -0.000954 -0.000429 -0.032544 0.001815 0.004268 0.000781 0.000732 -0.002088 -0.000847 -0.000906 -0.000985 -0.000571 -0.000424 -0.000029 -0.030833 -0.379241 0.005108 -0.004069 0.052866 0.003175 -0.031213 -0.296920 0.002894 0.003151 0.002800 0.001588 -0.013410 -0.001563 -0.000491 -0.001677 -0.002793 -0.001943 -0.001558 -0.001436 -0.002079 -0.000783 0.050703 -0.001110 -0.002630 -0.000921 -0.000858 -0.000589 -0.000700 -0.001806 -0.001022 -0.000554 -0.000548 -0.000557 0.034653 0.672437 -0.001792 -0.003181 -0.002050 -0.028388 0.051200 0.466535 -0.001235 -0.002011 -0.001708 -0.002337 -0.002678 0.000541 0.001359 -0.000512 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 -0.003653 -0.002643 -0.000742 0.001920 -0.003272 -0.000994 -0.002105 -0.001451 -0.001562 -0.002576 -0.001311 -0.000962 -0.000239 0.001947 0.000724 -0.000879 -0.000483 -0.000819 -0.014681 -0.124337 -0.006090 0.006445 -0.011996 0.014081 -0.010964 -0.109345 0.001990 0.002317 0.001558 0.003039 -0.003686 -0.001999 0.003756 0.000223 -0.000245 -0.001028 -0.001286 -0.001117 -0.001448 0.000469 0.023875 0.000332 0.000213 -0.001307 -0.000281 -0.002493 -0.000600 -0.000521 0.000427 0.000881 0.000188 0.000221 0.028144 0.450863 -0.006161 -0.009120 0.016154 -0.017491 0.058299 0.391957 0.001129 -0.001138 0.000171 0.000824 -0.015373 0.002977 0.002239 0.002981 0.001214 0.000699 0.000037 -0.000712 0.000839 -0.000232 -0.003563 -0.000899 0.000273 0.001738 0.000335 0.000298 0.000035 -0.000451 0.000078 -0.000384 -0.000065 -0.000166 -0.015856 -0.316625 0.007543 -0.001790 0.021666 0.007932 -0.033329 -0.226386 0.000132 -0.001403 0.000627 0.001468 -0.002959 -0.002645 0.006570 0.000108 0.8734 0.4019 -0.2749 0.3029 -0.0065 0.953 -0.3812 0.9157 0.1274 -0.0038 -0.0029 0.0067 -0.509 -0.386 0.895 -0.181 -0.138 0.319 -0.17 -0.129 0.299 1 C 13 0.3634 0.0998 0.9263 0.6025 0.7332 -0.3153 0.7107 -0.6726 -0.2063 -0.0023 -0.0016 0.0039 -0.305 -0.215 0.52 -0.109 -0.077 0.186 -0.102 -0.072 0.173 2 C 13 0.2793 0.4593 0.8432 0.0071 0.8772 -0.4802 0.9602 -0.1402 -0.2417 -0.002 -0.0016 0.0036 -0.264 -0.216 0.479 -0.094 -0.077 0.171 -0.088 -0.072 0.16 3 C 13 -0.2189 0.94 0.2618 0.2644 -0.2011 0.9432 0.9392 0.2757 -0.2045 -0.0031 -0.0016 0.0047 -0.41 -0.214 0.625 -0.146 -0.077 0.223 -0.137 -0.072 0.208 4 C 13 0.4763 0.8769 -0.0649 0.2261 -0.0509 0.9728 0.8497 -0.478 -0.2225 -0.0028 -0.0025 0.0053 -0.108 -0.095 0.203 -0.038 -0.034 0.072 -0.036 -0.032 0.068 5 N 14 0.2441 0.7869 0.5667 -0.3941 -0.4535 0.7994 0.8861 -0.4184 0.1994 -9.0E-4 -9.0E-4 0.0018 -0.121 -0.118 0.24 -0.043 -0.042 0.086 -0.04 -0.04 0.08 6 C 13 0.1369 0.9906 0.0031 0.9445 -0.1296 -0.302 0.2987 -0.0443 0.9533 -0.0328 -0.0255 0.0583 -5.624 -4.366 9.99 -2.007 -1.558 3.565 -1.876 -1.456 3.332 7 B 11 0.6183 0.4545 0.6412 -0.6773 -0.1058 0.7281 -0.3987 0.8844 -0.2424 -0.0014 -0.0013 0.0027 -0.761 -0.687 1.449 -0.272 -0.245 0.517 -0.254 -0.229 0.483 8 H 1 -0.3388 -0.1119 0.9342 0.9098 0.214 0.3556 -0.2397 0.9704 0.0293 -0.0027 -0.0019 0.0047 -1.462 -1.025 2.487 -0.522 -0.366 0.887 -0.488 -0.342 0.83 9 H 1 0.5722 0.7205 -0.3916 0.5617 0.0035 0.8273 -0.5975 0.6934 0.4027 -0.0022 -0.0018 0.004 -1.179 -0.961 2.14 -0.421 -0.343 0.764 -0.393 -0.32 0.714 10 H 1 0.4878 0.2134 0.8465 0.6195 0.5985 -0.5079 -0.615 0.7721 0.1597 -9.0E-4 -9.0E-4 0.0018 -0.499 -0.485 0.984 -0.178 -0.173 0.351 -0.167 -0.162 0.328 11 H 1 0.3282 0.89 0.3165 0.3648 -0.4284 0.8266 0.8713 -0.1558 -0.4653 -0.0023 -0.0018 0.0042 -1.246 -0.984 2.23 -0.445 -0.351 0.796 -0.416 -0.328 0.744 12 H 1 0.2107 0.8243 0.5254 0.1496 -0.5584 0.816 0.966 -0.0933 -0.241 -9.0E-4 -8.0E-4 0.0017 -0.473 -0.445 0.918 -0.169 -0.159 0.327 -0.158 -0.148 0.306 13 H 1 -0.1496 0.5789 0.8015 -0.3908 0.71 -0.5858 0.9082 0.4009 -0.12 -0.002 -0.0016 0.0036 -1.085 -0.857 1.942 -0.387 -0.306 0.693 -0.362 -0.286 0.648 14 H 1 -0.2477 0.9366 0.2479 -0.0689 -0.2723 0.9597 0.9664 0.2207 0.132 -0.0012 -0.0011 0.0022 -0.617 -0.574 1.19 -0.22 -0.205 0.425 -0.206 -0.191 0.397 15 H 1 0.1879 0.88 0.4362 -0.4824 -0.3041 0.8214 0.8555 -0.3648 0.3674 -9.0E-4 -9.0E-4 0.0019 -0.506 -0.496 1.002 -0.181 -0.177 0.357 -0.169 -0.165 0.334 16 H 1 0.1786 0.7977 0.576 -0.2637 -0.5251 0.8091 0.9479 -0.2964 0.1166 -6.0E-4 -6.0E-4 0.0011 -0.309 -0.303 0.612 -0.11 -0.108 0.218 -0.103 -0.101 0.204 17 H 1 0.2632 0.5898 0.7635 -0.5219 -0.5785 0.6268 0.8114 -0.5634 0.1556 -6.0E-4 -6.0E-4 0.0012 -0.325 -0.313 0.638 -0.116 -0.112 0.228 -0.108 -0.105 0.213 18 H 1 0.3497 0.9343 0.0689 0.8108 -0.265 -0.5218 0.4693 -0.2384 0.8503 -0.0375 -0.0171 0.0546 -5.032 -2.299 7.331 -1.795 -0.82 2.616 -1.678 -0.767 2.445 19 C 13 0.9134 -0.1124 -0.3913 0.1991 0.9617 0.1885 0.3551 -0.25 0.9008 -0.471 -0.467 0.9381 -63.208 -62.671 125.878 -22.554 -22.362 44.917 -21.084 -20.905 41.989 20 C 13 0.7116 -0.0678 0.6993 0.5479 0.6767 -0.4919 -0.4399 0.7332 0.5186 -0.0088 -0.0053 0.0141 -4.691 -2.831 7.522 -1.674 -1.01 2.684 -1.565 -0.944 2.509 21 H 1 0.5584 -0.4468 0.699 -0.0256 0.8329 0.5529 0.8292 0.3266 -0.4536 -0.0093 -0.0055 0.0148 -4.974 -2.911 7.885 -1.775 -1.039 2.813 -1.659 -0.971 2.63 22 H 1 0.9302 0.1639 -0.3283 0.3626 -0.2722 0.8913 -0.0567 0.9482 0.3126 -0.0586 -0.0021 0.0607 -31.282 -1.119 32.401 -11.162 -0.399 11.561 -10.435 -0.373 10.808 23 H 1 0.3187 -0.2892 0.9027 -0.2602 0.8891 0.3767 0.9115 0.3549 -0.2081 -0.0371 0.0024 0.0347 -4.979 0.324 4.655 -1.777 0.116 1.661 -1.661 0.108 1.553 24 C 13 0.7517 -0.3897 -0.5321 0.4718 0.8814 0.021 0.4608 -0.2668 0.8464 -0.0556 -0.0379 0.0934 4.021 2.741 -6.762 1.435 0.978 -2.413 1.341 0.914 -2.255 25 O 17 0.4147 0.9085 0.0522 0.8085 -0.3415 -0.4793 0.4176 -0.241 0.8761 -0.3598 -0.3558 0.7157 26.038 25.747 -51.785 9.291 9.187 -18.478 8.685 8.588 -17.273 26 O 17 0.8209 -0.2659 -0.5055 0.4383 -0.2742 0.856 0.3662 0.9242 0.1085 -0.003 -7.0E-4 0.0037 -0.402 -0.094 0.496 -0.144 -0.033 0.177 -0.134 -0.031 0.166 27 C 13 0.613 -0.0528 0.7883 0.6791 -0.4746 -0.5599 0.4037 0.8786 -0.2551 -0.0028 -0.0018 0.0046 -1.495 -0.971 2.466 -0.534 -0.347 0.88 -0.499 -0.324 0.823 28 H 1 0.2165 -0.2034 0.9549 0.9197 -0.2856 -0.2694 0.3275 0.9365 0.1252 -0.0018 -0.0016 0.0034 -0.962 -0.867 1.829 -0.343 -0.309 0.653 -0.321 -0.289 0.61 29 H 1 0.1107 -0.38 0.9184 0.7686 -0.5531 -0.3215 0.6301 0.7414 0.2308 -0.0028 -0.0018 0.0046 -1.518 -0.951 2.469 -0.542 -0.339 0.881 -0.506 -0.317 0.824 30 H 1 0.3304 0.7874 0.5205 0.3566 -0.6147 0.7035 0.8739 -0.0468 -0.4839 -0.0169 -0.0079 0.0248 -0.652 -0.304 0.956 -0.233 -0.109 0.341 -0.218 -0.101 0.319 31 N 14 -0.008 0.8247 0.5656 0.7682 0.3672 -0.5245 0.6402 -0.4303 0.6364 -0.0034 -0.002 0.0053 -1.791 -1.049 2.841 -0.639 -0.374 1.014 -0.597 -0.35 0.947 32 H 1 -0.2901 0.777 -0.5587 0.871 -0.0275 -0.4905 0.3965 0.6289 0.6688 -0.0066 -0.0022 0.0089 -0.255 -0.087 0.342 -0.091 -0.031 0.122 -0.085 -0.029 0.114 33 N 14 PT6499.800S 2024-10-25T15:56:00.000 -19.28371 -19.21935 -14.43237 -14.41097 -14.40975 -10.39555 -10.32937 -10.31793 -10.31728 -10.31606 -10.31567 -10.31329 -10.31177 -10.27255 -6.85509 -1.19930 -1.10646 -1.04157 -0.98963 -0.97557 -0.89398 -0.83682 -0.83084 -0.81219 -0.77189 -0.74128 -0.70737 -0.66904 -0.64832 -0.61395 -0.60742 -0.58612 -0.57792 -0.56972 -0.56548 -0.56139 -0.55239 -0.51845 -0.51555 -0.50658 -0.50039 -0.49215 -0.48557 -0.48284 -0.47738 -0.47442 -0.45527 -0.45058 -0.44688 -0.43477 -0.41847 -0.41275 -0.38394 -0.36751 -0.35339 -0.30456 -0.29084 -0.28419 0.08201 0.08642 0.11566 0.11823 0.12915 0.13172 0.13930 0.14936 0.15334 0.15614 0.15746 0.16742 0.17241 0.18130 0.18894 0.19416 0.20060 0.20881 0.20958 0.21285 0.21327 0.22831 0.23242 0.23761 0.23985 0.25225 0.26187 0.26692 0.27437 0.28251 0.28967 0.29214 0.29804 0.30954 0.31022 0.31738 0.32053 0.32471 0.34183 0.34366 0.34649 0.36242 0.36538 0.37136 0.37831 0.39133 0.39750 0.40093 0.40521 0.40988 0.41700 0.42463 0.43606 0.44306 0.44715 0.44799 0.45201 0.45840 0.46041 0.46716 0.47635 0.48012 0.48616 0.48918 0.49524 0.49719 0.50255 0.50805 0.51251 0.51688 0.51867 0.52604 0.53209 0.53628 0.54138 0.54267 0.54361 0.55049 0.56020 0.57214 0.57557 0.57832 0.58202 0.58860 0.59085 0.60190 0.60615 0.61020 0.61651 0.62370 0.62956 0.64244 0.64541 0.64689 0.65944 0.66917 0.67728 0.69189 0.69303 0.71114 0.71577 0.72920 0.73302 0.73519 0.74995 0.75867 0.75966 0.76313 0.77838 0.79157 0.79791 0.81332 0.83834 0.85216 0.86194 0.86643 0.88150 0.89143 0.89285 0.90261 0.91152 0.91920 0.92070 0.93140 0.93789 0.94300 0.94853 0.96034 0.96574 0.97187 0.98164 0.98601 0.99248 0.99810 1.00475 1.01185 1.02289 1.02774 1.04301 1.04657 1.05165 1.06084 1.06348 1.06861 1.08636 1.08733 1.09234 1.09623 1.11743 1.12376 1.13066 1.13607 1.14380 1.15360 1.16715 1.17136 1.17406 1.17892 1.19212 1.20283 1.21125 1.22111 1.22813 1.23528 1.24125 1.25011 1.25523 1.26225 1.26682 1.27680 1.28222 1.29366 1.29671 1.30962 1.32008 1.33007 1.34305 1.34796 1.35651 1.36024 1.36953 1.37631 1.37865 1.38281 1.38757 1.39873 1.40478 1.41000 1.41484 1.42368 1.43129 1.43915 1.44503 1.45448 1.45708 1.46906 1.48209 1.48766 1.48997 1.49614 1.50699 1.51162 1.51636 1.52262 1.52773 1.54634 1.55448 1.56304 1.56516 1.57342 1.58313 1.58582 1.59612 1.60066 1.60782 1.61153 1.61833 1.63672 1.64195 1.64530 1.65081 1.65769 1.67014 1.68623 1.69890 1.69909 1.72057 1.72696 1.74364 1.75592 1.76234 1.77164 1.78532 1.79668 1.80665 1.83338 1.84034 1.84193 1.85849 1.88024 1.89074 1.89638 1.91735 1.92402 1.92645 1.93828 1.95675 1.96209 1.97460 1.99027 2.00160 2.00630 2.02491 2.02991 2.04799 2.05776 2.08238 2.09489 2.11158 2.12427 2.13537 2.14218 2.15929 2.17095 2.18973 2.20363 2.20918 2.22715 2.24639 2.26498 2.28423 2.30732 2.31807 2.31896 2.35269 2.36067 2.37006 2.38046 2.38644 2.39658 2.41892 2.42324 2.44739 2.45925 2.46542 2.48139 2.49774 2.50374 2.51928 2.53905 2.55253 2.57091 2.57869 2.59740 2.61443 2.61752 2.62875 2.64676 2.64949 2.66257 2.68060 2.68561 2.70931 2.71443 2.71836 2.73507 2.74266 2.75377 2.76051 2.76987 2.78393 2.78851 2.79512 2.80447 2.81696 2.82360 2.83116 2.83362 2.84139 2.85263 2.86299 2.87076 2.87571 2.88179 2.88771 2.88923 2.90573 2.91559 2.92394 2.93094 2.94129 2.94136 2.96366 2.97643 2.98755 2.99468 3.00284 3.02167 3.02568 3.03184 3.04219 3.04981 3.06781 3.07100 3.07975 3.09369 3.09944 3.10179 3.11097 3.11547 3.11944 3.13331 3.14002 3.14339 3.14704 3.16529 3.17055 3.17637 3.18568 3.19829 3.20971 3.22464 3.23069 3.23813 3.24913 3.25867 3.26679 3.27513 3.28165 3.29172 3.30240 3.30752 3.31159 3.32237 3.32806 3.33172 3.34989 3.36476 3.36801 3.37219 3.37902 3.38461 3.39869 3.40416 3.41002 3.41458 3.42075 3.42606 3.42961 3.43730 3.45358 3.46517 3.46962 3.48164 3.49430 3.50186 3.51034 3.51480 3.52549 3.53776 3.54922 3.55511 3.55717 3.56818 3.58162 3.58710 3.58947 3.59800 3.60826 3.61003 3.61657 3.63011 3.64352 3.65116 3.65199 3.65855 3.66410 3.67450 3.69576 3.70180 3.70876 3.73237 3.73670 3.75014 3.75393 3.76461 3.76741 3.77283 3.77600 3.78605 3.79635 3.81164 3.82273 3.82912 3.83493 3.84414 3.85110 3.86138 3.86853 3.87717 3.89757 3.90419 3.91120 3.91802 3.92263 3.93718 3.94248 3.95359 3.96618 3.96782 3.97780 3.99353 4.00011 4.00813 4.02352 4.02843 4.03418 4.04288 4.05121 4.05963 4.07090 4.07878 4.09007 4.09648 4.10546 4.10812 4.13394 4.13721 4.13977 4.14313 4.15327 4.15815 4.17062 4.17345 4.17764 4.18759 4.19822 4.19959 4.21243 4.21652 4.23401 4.24687 4.24921 4.25475 4.25861 4.26710 4.28281 4.29248 4.29995 4.30242 4.31068 4.31472 4.32372 4.33235 4.34172 4.35137 4.35361 4.36504 4.37054 4.38181 4.40127 4.40650 4.41815 4.43342 4.43930 4.45475 4.46178 4.46568 4.48282 4.49572 4.49707 4.52573 4.53428 4.55197 4.55786 4.56157 4.57517 4.59709 4.62136 4.62478 4.63318 4.64128 4.64727 4.65882 4.67562 4.69547 4.71002 4.72229 4.73393 4.74185 4.75931 4.77530 4.78336 4.80486 4.80763 4.81795 4.82907 4.83058 4.86214 4.87627 4.88009 4.90970 4.92804 4.93886 4.94823 4.95201 4.96523 4.97832 4.98970 5.00608 5.01610 5.03297 5.03698 5.05535 5.05604 5.06866 5.08350 5.09223 5.10934 5.12796 5.14273 5.15429 5.16751 5.16941 5.17671 5.18854 5.21075 5.21139 5.22846 5.23246 5.25709 5.26948 5.27323 5.28595 5.28728 5.29571 5.31436 5.32844 5.33101 5.33695 5.34721 5.35657 5.36910 5.38064 5.39028 5.39703 5.40382 5.42416 5.44471 5.45765 5.46408 5.46566 5.47540 5.49701 5.50316 5.51472 5.52095 5.53159 5.54134 5.55636 5.57501 5.58298 5.60668 5.61098 5.61896 5.62716 5.62899 5.64108 5.64556 5.66228 5.66637 5.67705 5.67855 5.69630 5.70888 5.71931 5.74754 5.76149 5.77597 5.78810 5.79583 5.79963 5.81620 5.83320 5.84388 5.85373 5.87071 5.91513 5.94075 5.94593 6.00278 6.04881 6.05710 6.08965 6.12176 6.13345 6.15339 6.17973 6.23110 6.29608 6.31201 6.33141 6.34697 6.45560 6.47342 6.57068 6.66700 6.68106 6.74910 6.85441 6.86165 6.90776 7.04998 7.06443 7.18930 7.28538 7.52620 7.58114 16.00609 23.02087 23.36958 23.43661 23.46046 23.53006 23.55848 23.61080 23.71938 23.76629 32.89394 32.98478 33.25443 44.06425 44.39448 -19.28320 -19.21527 -14.43235 -14.41100 -14.40961 -10.39655 -10.32940 -10.31793 -10.31726 -10.31606 -10.31567 -10.31173 -10.30394 -10.27267 -6.85405 -1.19676 -1.09956 -1.04142 -0.98912 -0.97523 -0.87559 -0.83675 -0.83077 -0.81032 -0.77162 -0.72671 -0.70726 -0.66886 -0.64453 -0.61125 -0.60630 -0.58266 -0.57535 -0.56729 -0.56416 -0.55965 -0.54683 -0.51800 -0.51088 -0.50450 -0.49866 -0.48956 -0.48508 -0.47696 -0.47409 -0.46613 -0.45416 -0.44727 -0.43995 -0.43231 -0.41366 -0.41013 -0.37054 -0.36525 -0.34731 -0.30337 -0.28738 -0.02495 0.08200 0.09304 0.11573 0.11835 0.13049 0.13213 0.14828 0.15109 0.15452 0.15761 0.16413 0.16757 0.17718 0.18211 0.18890 0.19439 0.20083 0.20946 0.21092 0.21341 0.21527 0.22873 0.23231 0.23770 0.24145 0.25280 0.26173 0.26729 0.27594 0.28248 0.29109 0.29342 0.29869 0.30985 0.31144 0.31830 0.32164 0.32704 0.34179 0.34599 0.34734 0.36240 0.36637 0.37451 0.38275 0.39198 0.39863 0.40221 0.40611 0.41108 0.41959 0.42739 0.43646 0.44291 0.44760 0.44848 0.45257 0.45934 0.46153 0.46897 0.47685 0.48236 0.48714 0.49033 0.49527 0.49768 0.50426 0.50859 0.51304 0.51698 0.52105 0.52837 0.53237 0.53650 0.54184 0.54418 0.54477 0.55113 0.56075 0.57276 0.57669 0.57857 0.58317 0.59031 0.59149 0.60235 0.60761 0.61015 0.61882 0.62437 0.63090 0.64393 0.64639 0.64749 0.66206 0.66972 0.67889 0.69269 0.69381 0.71180 0.71633 0.73035 0.73397 0.73619 0.75226 0.76031 0.76164 0.76433 0.77976 0.79233 0.80080 0.81710 0.84040 0.85245 0.86367 0.86753 0.88195 0.89218 0.89459 0.90388 0.91209 0.91963 0.92185 0.93179 0.93932 0.94355 0.94934 0.96083 0.96628 0.97344 0.98253 0.98735 0.99348 0.99900 1.00543 1.01208 1.02388 1.02826 1.04467 1.04745 1.05292 1.06222 1.06458 1.06954 1.08710 1.08837 1.09380 1.09703 1.11774 1.12494 1.13210 1.13742 1.14470 1.15654 1.16765 1.17262 1.17503 1.18076 1.19303 1.20411 1.21266 1.22162 1.23009 1.23684 1.24222 1.25114 1.25664 1.26267 1.26798 1.27762 1.28371 1.29415 1.29898 1.31097 1.32360 1.33245 1.34507 1.34904 1.35732 1.36156 1.37189 1.37667 1.38026 1.38425 1.38898 1.40088 1.40610 1.41298 1.41557 1.42519 1.43456 1.44012 1.44610 1.45658 1.45852 1.46979 1.48310 1.49005 1.49240 1.49715 1.50936 1.51188 1.51746 1.52423 1.52888 1.54685 1.55777 1.56344 1.56560 1.57613 1.58446 1.58660 1.59689 1.60265 1.60889 1.61229 1.61895 1.63756 1.64426 1.64607 1.65249 1.65875 1.67167 1.68728 1.69955 1.70098 1.72237 1.72976 1.74509 1.75764 1.76451 1.77301 1.78653 1.79914 1.80850 1.83724 1.84233 1.84322 1.86191 1.88237 1.89285 1.89707 1.91929 1.92755 1.93189 1.94110 1.95979 1.96417 1.97725 1.99299 2.00375 2.00766 2.02762 2.03704 2.04926 2.05972 2.08526 2.09943 2.11395 2.12673 2.13827 2.14745 2.16298 2.17237 2.19053 2.20561 2.21076 2.22923 2.24857 2.26738 2.28679 2.30850 2.31981 2.32053 2.35469 2.36315 2.37269 2.38297 2.38758 2.39874 2.42197 2.42761 2.44871 2.46055 2.46642 2.48266 2.50018 2.50617 2.52082 2.54122 2.55469 2.57197 2.58057 2.59944 2.61689 2.62077 2.63126 2.64775 2.65187 2.66293 2.68134 2.69030 2.71137 2.71610 2.72098 2.73770 2.74387 2.75926 2.76191 2.77211 2.78517 2.78995 2.79682 2.80688 2.81985 2.82601 2.83440 2.83767 2.84251 2.85497 2.86505 2.87252 2.87703 2.88248 2.88863 2.89040 2.90805 2.91912 2.92811 2.93275 2.94430 2.94648 2.96578 2.97809 2.98883 3.00049 3.00384 3.02514 3.02704 3.03346 3.04491 3.05206 3.07113 3.07178 3.08282 3.09442 3.10091 3.10443 3.11339 3.11613 3.12089 3.13473 3.14240 3.14514 3.14895 3.16690 3.17324 3.17749 3.18583 3.20196 3.21189 3.22611 3.23128 3.23909 3.25087 3.26158 3.26884 3.27674 3.28600 3.29512 3.30651 3.31183 3.31403 3.32746 3.33244 3.33489 3.35321 3.36701 3.37055 3.37469 3.38009 3.38720 3.40078 3.40614 3.41213 3.41730 3.42235 3.43219 3.43419 3.43916 3.45469 3.46677 3.47200 3.48386 3.49610 3.50310 3.51330 3.52098 3.52824 3.54076 3.55110 3.55698 3.55902 3.57243 3.58271 3.58774 3.59153 3.59865 3.60918 3.61305 3.62066 3.63095 3.64463 3.65169 3.65418 3.65984 3.66486 3.67474 3.69742 3.70280 3.71118 3.73499 3.74039 3.75089 3.75648 3.76533 3.76887 3.77369 3.77753 3.78819 3.79773 3.81520 3.82451 3.83103 3.83625 3.84664 3.85222 3.86402 3.87010 3.87952 3.89976 3.90578 3.91292 3.91947 3.92490 3.93867 3.94418 3.95416 3.96718 3.96845 3.97860 3.99444 4.00149 4.00908 4.02508 4.03036 4.03623 4.04436 4.05267 4.06206 4.07241 4.07981 4.09093 4.09721 4.10669 4.10928 4.13471 4.13828 4.14102 4.14645 4.15576 4.15953 4.17181 4.17421 4.17880 4.18888 4.20034 4.20108 4.21286 4.21717 4.23496 4.24793 4.25200 4.25514 4.26057 4.26796 4.28412 4.29299 4.30158 4.30357 4.31219 4.31591 4.32437 4.33296 4.34230 4.35241 4.35783 4.36667 4.37110 4.38399 4.40168 4.40730 4.41898 4.43452 4.44048 4.45524 4.46273 4.46802 4.48453 4.49653 4.49822 4.52689 4.53470 4.55279 4.56005 4.56532 4.57659 4.59780 4.62220 4.62602 4.63394 4.64263 4.64773 4.65954 4.67697 4.69690 4.71082 4.72359 4.73449 4.74296 4.76050 4.77640 4.78509 4.80642 4.81026 4.81838 4.82977 4.83176 4.86517 4.88107 4.88467 4.91251 4.92988 4.93974 4.94949 4.95332 4.96597 4.98029 4.99198 5.00673 5.01672 5.03448 5.03901 5.05670 5.05815 5.07094 5.08395 5.09286 5.11021 5.13037 5.14335 5.15511 5.16826 5.17014 5.17740 5.18870 5.21130 5.21372 5.22905 5.23319 5.26066 5.27044 5.27510 5.28720 5.28839 5.30023 5.31666 5.32974 5.33403 5.33819 5.34922 5.35842 5.36958 5.38116 5.39081 5.39760 5.40518 5.42458 5.44734 5.45793 5.46484 5.46582 5.47659 5.49854 5.50371 5.51694 5.52134 5.53333 5.54192 5.55763 5.57784 5.58442 5.60727 5.61420 5.62025 5.62830 5.62992 5.64129 5.64599 5.66412 5.66673 5.67842 5.67927 5.69796 5.70992 5.71977 5.74770 5.76179 5.77698 5.79087 5.79601 5.80072 5.81672 5.83354 5.84419 5.85418 5.87246 5.91573 5.94369 5.94654 6.00306 6.04903 6.05726 6.08969 6.12271 6.13398 6.15642 6.17982 6.23128 6.29692 6.31327 6.33971 6.34733 6.46009 6.48630 6.57291 6.67489 6.68638 6.74948 6.85721 6.86421 6.91794 7.05308 7.06671 7.19374 7.28842 7.52717 7.58211 16.00795 23.03600 23.36926 23.43671 23.46054 23.53022 23.55849 23.61072 23.71920 23.76629 32.89396 32.98488 33.25445 44.06800 44.39502 2-A. -4.3382 2.2926 0.8046 4.9723 -98.2260 -89.7642 -90.1826 8.6751 7.0491 -3.2660 -5.5017 2.9601 2.5417 8.6751 7.0491 -3.2660 -48.9960 16.5070 -9.0913 6.2920 36.8224 10.1989 -3.5511 2.0721 4.5927 -0.6956 -3541.6353 -1021.1467 -390.9563 199.5586 105.0565 -2.1732 -13.0458 14.0642 2.7594 -728.5893 -641.8259 -243.4590 -23.2363 6.4573 10.4290 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO01 CECILIA 2024-10-25T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-694.004878 S2=0.758361 S2-1=0. S2A=0.750051 RMSD=6.962e-09 Dipole=-1.6662627,0.9842755,0.2858676 Quadrupole=-3.6586903,1.5761285,2.0825618,6.7555668,5.0349103,-2.5381095 PG=C01 [X(C9H19B1N3O2)] 0 -0.2345241657 1.7683876338 -0.3247222451 0 -1.4126596922 1.6874849648 0.7126126949 0 -2.768016725 -0.4471129808 0.9567528023 0 -2.5368325916 -1.6959476426 0.0391842551 0 -2.5253923183 0.8413307434 0.3558787113 0 -3.3456018054 1.2290915564 -0.7517901641 0 -0.4131361261 -0.6535049426 -0.4957776854 0 -0.3790549799 2.6402156606 -0.9813552033 0 0.7035314225 1.9463391058 0.2252891276 0 -1.018803521 1.320324121 1.6715551746 0 -1.7672255047 2.7184681047 0.9081720144 0 -2.1147521211 -0.5255907536 1.8382147329 0 -3.8062959076 -0.5057355653 1.3420184725 0 -2.3556681149 -2.5681568796 0.6918131852 0 -3.4649893395 -1.923947122 -0.5073621237 0 -2.9893961979 0.8551613308 -1.7377081466 0 -4.3760828171 0.8570235729 -0.6201647835 0 -3.400532989 2.3279793029 -0.8247772512 0 0.416795525 -1.057985367 0.828084714 0 1.6823864912 -1.5984788488 0.2875453639 0 0.6193740269 -0.1946816624 1.4762735337 0 -0.1181299239 -1.8348336047 1.39478226 0 1.7390395535 -2.6281863297 -0.0722285372 0 2.877400102 -0.8102276722 0.0523704321 0 2.7746289127 0.4570701645 0.5124910176 0 3.8818595913 -1.224712284 -0.4874712444 0 3.8903874209 1.2909166507 0.2777270736 0 4.0919564552 1.38579066 -0.7996335069 0 3.6388191605 2.2711310781 0.6999746967 0 4.7935266532 0.8918395658 0.763190299 0 -0.1164007932 0.5808334594 -1.1619192291 0 -0.654819917 0.7042301606 -2.0136146172 0 -1.465712244 -1.527061312 -0.9401969815 0 -1.86149464 -1.242996109 -1.8309723823