Gaussian 16 GINC-NODO02 NSF coments ES64L-G16RevC.02 1-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 39 39 77 78 393 (5D, 7F) def2SVP 111 111 C1[X(C16H17BN3O2)] C1[X(C16H17BN3O2)] UwB97XD def2SVP FTS #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprintgfinput 277.00109999999995 0 2 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0928,1.0103,-.1885;-.2143,.6209,-.4899;-1.2769,1.5322,-.5284;-.9519,2.8558,-.2941;.3794,3.2593,-.032;1.4257,2.3558,.0321;-2.2971,1.185,-.6993;-1.739,3.6116,-.308;.5862,4.3188,.1318;2.4483,2.6728,.2346;-.1748,-.7455,-.693;1.029,-1.1942,-.5227;1.8089,-.1641,-.2128;3.1996,-.369,.0017;3.8391,.2912,1.0511;3.8997,-1.2357,-.8379;5.2047,.0957,1.245;3.2695,.9331,1.7252;5.2602,-1.4343,-.6224;3.3726,-1.7479,-1.6436;5.9163,-.7652,.4111;5.7103,.609,2.065;5.8132,-2.1136,-1.2738;6.985,-.9204,.5706;-1.3814,-1.6423,-.9815;-2.1732,-1.0636,-1.69;-1.0545,-2.7789,-1.2197;-2.2665,-1.6353,.926;-2.0828,-.6011,1.2421;-3.6233,-1.9833,.7135;-3.9412,-3.028,.7054;-4.6687,-1.0471,.364;-4.2295,.2437,.2695;-5.8347,-1.3271,.1733;-5.2232,1.2015,-.0218;-6.0031,1.2179,.7545;-4.7169,2.1753,-.058;-5.7092,.9955,-.9874;-1.6456,-2.378,1.4393; /usr/local/CompChem/Gaussian/g16/g16 Output=38_COOMe_TS.log chk=38_COOMe_TS.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint g 1/5=1,10=4,11=1,18=20,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=2,74=-58,140=1/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,10=4,11=1,18=20,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/5=1,11=1,18=20,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 12 12 12 12 12 12 1 1 1 1 14 14 14 12 12 12 12 1 12 1 12 1 1 1 11 1 1 12 1 12 1 12 16 16 12 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 2 2 2 0 0 0 0 1 0 1 0 1 1 1 3 1 1 0 1 0 1 0 0 0 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 1 1 2 2 3 3 4 4 5 5 6 11 11 12 13 14 14 15 15 16 16 17 17 19 19 21 25 25 25 28 28 28 30 30 32 32 33 35 35 35 2 6 13 3 11 4 7 5 8 6 9 10 12 25 13 14 15 16 17 18 19 20 21 22 21 23 24 26 27 28 29 30 39 31 32 33 34 35 36 37 38 1.3968 1.4035 1.3757 1.4004 1.382 1.3829 1.0911 1.4156 1.0913 1.3839 1.0918 1.0896 1.2959 1.5308 1.3287 1.422 1.395 1.395 1.3931 1.0913 1.3917 1.0906 1.3939 1.0916 1.3951 1.0916 1.0916 1.2098 1.2064 2.1029 1.0969 1.4168 1.0958 1.092 1.4462 1.3667 1.2142 1.4106 1.1006 1.0981 1.1005 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 2 2 12 11 1 1 12 13 13 15 14 14 17 14 14 19 15 15 21 16 16 21 17 17 19 11 11 11 26 26 27 25 25 25 29 29 30 28 28 31 30 30 33 32 33 33 33 36 36 37 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 11 11 11 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 19 19 19 21 21 21 25 25 25 25 25 25 28 28 28 28 28 28 30 30 30 32 32 32 33 35 35 35 35 35 35 6 13 13 3 11 11 4 7 7 5 8 8 6 9 9 5 10 10 12 25 25 13 12 14 14 15 16 16 17 18 18 19 20 20 21 22 22 21 23 23 19 24 24 26 27 28 27 28 28 29 30 39 30 39 39 31 32 32 33 34 34 35 36 37 38 37 38 38 121.5429 104.2004 134.2415 122.3179 106.2948 131.381 116.093 120.4488 123.4212 121.6837 119.4207 118.8954 122.2416 118.8479 118.9093 116.0583 122.0575 121.8827 110.461 125.7575 123.6524 107.909 111.1242 129.0052 119.8401 119.58 119.31 121.1086 119.1877 120.2468 120.5489 119.0849 119.5934 121.3206 120.2553 119.5153 120.2216 120.3967 119.4523 120.1497 119.9546 120.0146 120.0297 110.2467 112.0561 99.1386 120.8201 104.7222 107.2349 101.1909 105.4427 100.6128 115.7976 114.149 116.5167 120.9898 124.71 114.0272 113.3208 125.6452 121.0318 115.417 111.3244 106.5107 111.4197 109.6805 107.9813 109.9218 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 6 6 13 13 2 2 13 13 2 2 6 6 1 1 11 11 1 1 3 3 2 2 7 7 3 3 8 8 4 4 9 9 2 25 2 2 2 12 12 12 11 11 1 1 12 12 13 13 16 16 13 13 15 15 14 14 18 18 14 14 20 20 15 15 22 22 16 16 23 23 11 11 11 26 26 26 27 27 27 25 25 29 29 39 39 28 28 31 31 30 34 32 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 11 11 11 11 11 11 11 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 30 30 30 30 32 32 33 33 33 2 2 2 2 6 6 6 6 13 13 13 13 3 3 3 3 11 11 11 11 4 4 4 4 5 5 5 5 6 6 6 6 12 12 25 25 25 25 25 25 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 21 21 21 21 21 21 21 21 28 28 28 28 28 28 28 28 28 30 30 30 30 30 30 32 32 32 32 33 33 35 35 35 3 11 3 11 5 10 5 10 12 14 12 14 4 7 4 7 12 25 12 25 5 8 5 8 6 9 6 9 1 10 1 10 13 13 26 27 28 26 27 28 1 14 15 16 15 16 17 18 17 18 19 20 19 20 21 22 21 22 21 23 21 23 19 24 19 24 17 24 17 24 29 30 39 29 30 39 29 30 39 31 32 31 32 31 32 33 34 33 34 35 35 36 37 38 -3.0611 177.7595 178.1696 -1.0097 1.664 -177.8997 179.9984 0.4347 0.9518 178.9076 -177.584 0.3718 2.102 -175.7609 -178.9477 3.1894 0.7766 176.7532 -178.2991 -2.3225 0.0348 -179.7925 177.8274 -1.9999 -1.3281 179.0913 178.5 -1.0805 0.4557 -179.9798 -179.964 -0.3995 -0.1873 -176.2652 37.0293 174.6461 -72.4634 -147.5001 -9.8834 103.0071 -0.5004 -178.6692 43.6078 -136.822 -138.5905 40.9797 -179.3124 2.1632 1.1253 -177.399 -179.9017 -0.2816 -0.3382 179.2818 -0.9598 -179.9497 177.56 -1.4299 -0.6199 179.8081 179.7668 0.1948 0.0215 -179.6049 179.0042 -0.6222 0.7797 -179.594 -179.6513 -0.025 37.3966 158.3872 -80.0788 -76.4743 44.5162 166.0502 154.0201 -84.9893 36.5446 88.3019 -85.3307 -160.772 25.5955 -22.2689 164.0986 -0.8252 179.709 -174.8502 5.684 -177.7886 1.7047 60.1687 179.6927 -60.4368 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 415 A 393 A 669 415 1661.9742239493 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. saddle point Step number 14 out of a maximum of 213 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.06470 0.00148 0.00410 0.00575 0.00865 0.00933 0.01120 0.01171 0.01248 0.01450 0.01701 0.01757 0.01810 0.01823 0.01834 0.01912 0.01969 0.02064 0.02153 0.02374 0.02520 0.02588 0.02633 0.02824 0.02921 0.02986 0.03025 0.03048 0.03180 0.03460 0.03566 0.03844 0.04261 0.04474 0.05044 0.06443 0.06803 0.07526 0.07952 0.08254 0.08464 0.09019 0.10966 0.11057 0.11183 0.11352 0.11434 0.11623 0.12070 0.12259 0.12290 0.12479 0.13193 0.14644 0.16446 0.18368 0.18636 0.18893 0.18925 0.19058 0.19345 0.19373 0.19623 0.20660 0.20956 0.22954 0.23281 0.23866 0.24189 0.26244 0.26584 0.26902 0.28322 0.28656 0.30445 0.31064 0.34262 0.34286 0.34917 0.35228 0.35530 0.35577 0.36563 0.36582 0.36612 0.36711 0.36723 0.36784 0.36795 0.36947 0.37066 0.37252 0.38949 0.39635 0.40285 0.41071 0.42123 0.43417 0.43841 0.45832 0.46246 0.47148 0.48133 0.49073 0.49691 0.49806 0.50860 0.52964 0.53525 0.56413 0.86829 8.235807869e-12 0.00000000e+00 Linear search 1 2 0.00024051 0.00000002 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 2.64384 2.64486 2.60591 2.63343 2.63117 2.62791 2.05907 2.65654 2.06235 2.62793 2.06318 2.05825 2.51466 2.78252 2.55200 2.66900 2.64120 2.64233 2.63251 2.06113 2.62881 2.06016 2.63363 2.06335 2.63683 2.06334 2.06281 2.27806 2.27422 3.97170 2.06620 2.59449 2.06629 2.06331 2.77398 2.54999 2.28323 2.67192 2.07884 2.07217 2.07885 2.11322 1.83137 2.33822 2.12997 1.85957 2.29356 2.04016 2.10571 2.13724 2.11515 2.08535 2.08268 2.12822 2.08007 2.07489 2.03834 2.12815 2.11663 1.92602 2.20545 2.14121 1.86219 1.94534 2.25783 2.07880 2.09879 2.08258 2.10169 2.08596 2.09900 2.09778 2.08421 2.08099 2.11797 2.10177 2.08377 2.09749 2.10426 2.08303 2.09586 2.08815 2.09728 2.09773 1.98387 2.01496 1.65625 2.12839 1.80052 1.77258 1.70662 1.76565 1.63684 2.06089 2.03925 2.09287 2.12453 2.15881 1.99585 1.96930 2.17495 2.13893 2.02494 1.93874 1.85579 1.93814 1.91937 1.88918 1.92288 -0.05934 3.09433 3.10756 -0.02196 0.03589 -3.09421 -3.13968 0.01341 0.02012 3.10753 -3.09136 -0.00395 0.03879 -3.09009 -3.11824 0.03607 0.01728 3.00597 -3.11066 -0.12197 0.00172 3.13886 3.13035 -0.01569 -0.02333 3.12275 3.12271 -0.01440 0.00419 3.13438 3.14131 -0.01169 -0.00493 -3.00028 0.43322 3.01696 -1.42875 -2.87886 -0.29512 1.54236 -0.00983 -3.10348 0.66985 -2.48864 -2.52946 0.59524 -3.13155 0.04213 0.02713 -3.08238 -3.13798 -0.00193 -0.01332 3.12274 -0.01947 3.14144 3.09006 -0.03221 -0.00831 3.14108 3.13894 0.00515 -0.00186 -3.13495 3.12026 -0.01283 0.01590 -3.13420 -3.13355 -0.00047 0.75820 2.86560 -1.29706 -1.26130 0.84610 2.96663 2.80445 -1.37134 0.74919 1.48924 -1.55086 -2.95834 0.28474 -0.27388 2.96920 0.02785 -3.11392 -3.01901 0.12241 -3.12817 0.01359 1.05140 3.13932 -1.05204 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00002 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 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00004 0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 0.00002 0.00000 0.00001 0.00001 -0.00002 -0.00002 -0.00001 0.00008 0.00002 0.00011 -0.00000 -0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00003 0.00001 0.00000 0.00002 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00003 -0.00002 0.00001 -0.00004 -0.00004 -0.00000 0.00001 -0.00007 -0.00018 -0.00018 -0.00009 -0.00009 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00019 0.00018 0.00018 0.00019 0.00019 0.00019 0.00020 0.00020 0.00020 -0.00000 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 0.00025 0.00024 0.00025 0.00000 0.00000 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 -0.00002 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 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 -0.00004 0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 0.00002 0.00000 0.00001 0.00001 -0.00002 -0.00002 -0.00001 0.00008 0.00002 0.00011 -0.00000 -0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00003 0.00001 0.00000 0.00002 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00003 -0.00002 0.00001 -0.00004 -0.00004 -0.00000 0.00001 -0.00007 -0.00018 -0.00018 -0.00009 -0.00009 -0.00001 0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00019 0.00018 0.00018 0.00019 0.00019 0.00019 0.00020 0.00020 0.00020 -0.00000 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00002 -0.00002 0.00025 0.00024 0.00025 2.64384 2.64486 2.60591 2.63343 2.63116 2.62791 2.05907 2.65654 2.06235 2.62793 2.06318 2.05825 2.51466 2.78250 2.55200 2.66899 2.64120 2.64233 2.63251 2.06113 2.62881 2.06016 2.63362 2.06335 2.63683 2.06334 2.06281 2.27806 2.27422 3.97168 2.06620 2.59449 2.06629 2.06331 2.77398 2.54999 2.28324 2.67192 2.07884 2.07217 2.07884 2.11322 1.83137 2.33823 2.12997 1.85957 2.29356 2.04016 2.10571 2.13724 2.11515 2.08535 2.08268 2.12822 2.08007 2.07489 2.03834 2.12816 2.11663 1.92602 2.20546 2.14121 1.86219 1.94534 2.25785 2.07880 2.09880 2.08257 2.10169 2.08596 2.09900 2.09778 2.08421 2.08099 2.11797 2.10177 2.08377 2.09749 2.10427 2.08303 2.09586 2.08815 2.09728 2.09773 1.98387 2.01497 1.65627 2.12839 1.80047 1.77260 1.70661 1.76564 1.63685 2.06089 2.03925 2.09286 2.12452 2.15881 1.99585 1.96931 2.17494 2.13893 2.02494 1.93873 1.85579 1.93814 1.91937 1.88918 1.92288 -0.05934 3.09431 3.10758 -0.02196 0.03590 -3.09420 -3.13970 0.01339 0.02011 3.10761 -3.09134 -0.00384 0.03878 -3.09010 -3.11822 0.03608 0.01729 3.00596 -3.11067 -0.12200 0.00173 3.13887 3.13036 -0.01568 -0.02333 3.12274 3.12271 -0.01440 0.00419 3.13437 3.14131 -0.01169 -0.00493 -3.00027 0.43319 3.01693 -1.42874 -2.87890 -0.29516 1.54236 -0.00982 -3.10355 0.66968 -2.48882 -2.52955 0.59514 -3.13155 0.04214 0.02713 -3.08236 -3.13798 -0.00192 -0.01332 3.12274 -0.01947 3.14144 3.09005 -0.03222 -0.00831 3.14108 3.13894 0.00514 -0.00187 -3.13495 3.12025 -0.01283 0.01590 -3.13420 -3.13355 -0.00047 0.75839 2.86578 -1.29688 -1.26110 0.84629 2.96681 2.80465 -1.37114 0.74938 1.48924 -1.55086 -2.95836 0.28473 -0.27389 2.96920 0.02784 -3.11393 -3.01901 0.12241 -3.12819 0.01357 1.05165 3.13957 -1.05179 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.001103 0.000241 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.014388e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 1 1 2 2 3 3 4 4 5 5 6 11 11 12 13 14 14 15 15 16 16 17 17 19 19 21 25 25 25 28 28 28 30 30 32 32 33 35 35 35 2 6 13 3 11 4 7 5 8 6 9 10 12 25 13 14 15 16 17 18 19 20 21 22 21 23 24 26 27 28 29 30 39 31 32 33 34 35 36 37 38 1.3991 1.3996 1.379 1.3936 1.3924 1.3906 1.0896 1.4058 1.0914 1.3906 1.0918 1.0892 1.3307 1.4724 1.3505 1.4124 1.3977 1.3983 1.3931 1.0907 1.3911 1.0902 1.3937 1.0919 1.3954 1.0919 1.0916 1.2055 1.2035 2.1017 1.0934 1.3729 1.0934 1.0919 1.4679 1.3494 1.2082 1.4139 1.1001 1.0965 1.1001 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 2 2 12 11 1 1 12 13 13 15 14 14 17 14 14 19 15 15 21 16 16 21 17 17 19 11 11 11 26 26 27 25 25 25 29 29 30 28 28 31 30 30 33 32 33 33 33 36 36 37 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 11 11 11 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 19 19 19 21 21 21 25 25 25 25 25 25 28 28 28 28 28 28 30 30 30 32 32 32 33 35 35 35 35 35 35 6 13 13 3 11 11 4 7 7 5 8 8 6 9 9 5 10 10 12 25 25 13 12 14 14 15 16 16 17 18 18 19 20 20 21 22 22 21 23 23 19 24 24 26 27 28 27 28 28 29 30 39 30 39 39 31 32 32 33 34 34 35 36 37 38 37 38 38 121.0786 104.93 133.9703 122.0381 106.5458 131.4116 116.8925 120.6482 122.4551 121.189 119.4819 119.3286 121.9379 119.1793 118.8824 116.7882 121.9343 121.2742 110.3529 126.3631 122.6823 106.6955 111.4597 129.3643 119.1067 120.2519 119.3229 120.418 119.5165 120.2637 120.1941 119.4162 119.232 121.351 120.4223 119.3913 120.1771 120.5654 119.349 120.084 119.6422 120.165 120.1909 113.6673 115.4488 94.8964 121.9477 103.1619 101.5616 97.7819 101.1643 93.7837 118.0803 116.8402 119.9124 121.7265 123.6905 114.3537 112.8328 124.6152 122.5519 116.0207 111.0815 106.3289 111.0472 109.9721 108.2421 110.1727 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 6 6 13 13 2 2 13 13 2 2 6 6 1 1 11 11 1 1 3 3 2 2 7 7 3 3 8 8 4 4 9 9 2 25 2 2 2 12 12 12 11 11 1 1 12 12 13 13 16 16 13 13 15 15 14 14 18 18 14 14 20 20 15 15 22 22 16 16 23 23 11 11 11 26 26 26 27 27 27 25 25 29 29 39 39 28 28 31 31 30 34 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 11 11 11 11 11 11 11 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 30 30 30 30 32 32 33 33 2 2 2 2 6 6 6 6 13 13 13 13 3 3 3 3 11 11 11 11 4 4 4 4 5 5 5 5 6 6 6 6 12 12 25 25 25 25 25 25 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 21 21 21 21 21 21 21 21 28 28 28 28 28 28 28 28 28 30 30 30 30 30 30 32 32 32 32 33 33 35 35 3 11 3 11 5 10 5 10 12 14 12 14 4 7 4 7 12 25 12 25 5 8 5 8 6 9 6 9 1 10 1 10 13 13 26 27 28 26 27 28 1 14 15 16 15 16 17 18 17 18 19 20 19 20 21 22 21 22 21 23 21 23 19 24 19 24 17 24 17 24 29 30 39 29 30 39 29 30 39 31 32 31 32 31 32 33 34 33 34 35 35 36 37 -3.3998 177.2922 178.05 -1.2581 2.0563 -177.2854 -179.8902 0.7681 1.1529 178.0484 -177.1218 -0.2263 2.2223 -177.0491 -178.6622 2.0665 0.9903 172.2296 -178.2276 -6.9883 0.0987 179.8437 179.3558 -0.8992 -1.3366 178.9204 178.918 -0.825 0.2402 179.5866 179.984 -0.6696 -0.2822 -171.9032 24.8216 172.8588 -81.8611 -164.9465 -16.9092 88.3708 -0.5631 -177.8163 38.3798 -142.5884 -144.9273 34.1045 -179.4244 2.414 1.5545 -176.6071 -179.7932 -0.1103 -0.763 178.9198 -1.1158 179.9913 177.0472 -1.8457 -0.4763 179.9708 179.8478 0.2949 -0.1067 -179.6192 178.7775 -0.735 0.9111 -179.5766 -179.5393 -0.0269 43.4418 164.1869 -74.3159 -72.267 48.478 169.9753 160.6829 -78.572 42.9252 85.3273 -88.8576 -169.5007 16.3145 -15.6923 170.1229 1.5954 -178.4145 -172.9765 7.0137 -179.2308 0.7788 60.2406 179.8699 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0286937024 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0928,1.0103,-.1885;-.2143,.6209,-.4899;-1.2769,1.5322,-.5284;-.9519,2.8558,-.2941;.3794,3.2593,-.032;1.4257,2.3558,.0321;-2.2971,1.1851,-.6993;-1.739,3.6116,-.308;.5862,4.3188,.1318;2.4483,2.6728,.2346;-.1748,-.7455,-.693;1.029,-1.1942,-.5227;1.8089,-.1641,-.2128;3.1996,-.369,.0017;3.8391,.2912,1.0511;3.8997,-1.2357,-.8379;5.2047,.0957,1.245;3.2695,.9331,1.7252;5.2602,-1.4343,-.6224;3.3726,-1.7479,-1.6436;5.9163,-.7652,.4111;5.7103,.609,2.065;5.8132,-2.1136,-1.2738;6.985,-.9204,.5706;-1.3814,-1.6423,-.9815;-2.1732,-1.0636,-1.69;-1.0545,-2.7789,-1.2197;-2.2665,-1.6353,.926;-2.0828,-.6011,1.2421;-3.6234,-1.9833,.7135;-3.9412,-3.028,.7054;-4.6687,-1.0471,.364;-4.2295,.2437,.2695;-5.8347,-1.327,.1733;-5.2232,1.2015,-.0218;-6.0031,1.2179,.7545;-4.7169,2.1753,-.058;-5.7092,.9955,-.9874;-1.6456,-2.378,1.4393; 0.000000 1.396776 0.000000 2.450200 1.400380 0.000000 2.756419 2.361598 1.382934 0.000000 2.364649 2.742896 2.443961 1.415613 0.000000 1.403524 2.443765 2.880406 2.451419 1.383907 0.000000 3.432631 2.167993 1.091099 2.182933 3.451345 3.970520 0.000000 3.847132 3.361895 2.141560 1.091343 2.165187 3.421731 2.520513 0.000000 3.362340 3.834260 3.416450 2.165035 1.091790 2.137299 4.338704 2.469802 0.000000 2.186444 3.438740 3.969977 3.445938 2.166878 1.089610 5.060122 4.325438 2.487412 0.000000 2.223545 1.382006 2.535697 3.705750 4.096697 3.564480 2.869052 4.645426 5.187148 4.407531 0.000000 2.230566 2.200291 3.570732 4.514237 4.527290 3.614897 4.093244 5.550100 5.569293 4.188306 1.295864 0.000000 1.375704 2.187763 3.535418 4.092473 3.714283 2.560598 4.349265 5.181970 4.659390 2.942327 2.122157 1.328673 0.000000 2.525284 3.588337 4.892288 5.265112 4.595529 3.251433 5.755004 6.350651 5.368579 3.141844 3.465653 2.380675 1.421983 0.000000 3.097728 4.348964 5.496243 5.598269 4.685338 3.335501 6.443297 6.632331 5.258155 2.876350 4.497529 3.546841 2.434459 1.395025 0.000000 3.653043 4.526919 5.878274 6.369753 5.766001 4.447020 6.654285 7.454679 6.539994 4.305011 4.106417 2.888277 2.431134 1.395049 2.429657 0.000000 4.449600 5.714117 6.871657 6.920290 5.909498 4.567243 7.825854 7.936509 6.356404 3.906404 5.779456 4.714381 3.704622 2.404619 1.393070 2.795340 0.000000 2.899292 4.140113 5.109522 5.059079 4.105037 2.879259 6.076871 6.032664 4.604535 2.433706 4.530765 3.820738 2.663250 2.161158 1.091255 3.416107 2.162598 0.000000 4.850948 5.849088 7.179343 7.556658 6.797122 5.431072 7.998755 8.634208 7.450727 5.050725 5.478925 4.239232 3.700381 2.402208 2.792420 1.391719 2.414803 3.883130 0.000000 3.862946 4.450625 5.798312 6.458817 6.052161 4.841327 6.452852 7.525761 6.908017 4.891296 3.806872 2.656207 2.645862 2.153653 3.411281 1.090586 3.885786 4.306579 2.168924 0.000000 5.174771 6.349615 7.609425 7.796245 6.859333 5.481776 8.514512 8.847479 7.371251 4.886555 6.190379 4.994217 4.197804 2.775828 2.416705 2.418257 1.393922 3.408343 1.395090 3.414357 0.000000 5.153736 6.452055 7.509992 7.416138 6.311926 5.053935 8.490734 8.374944 6.614902 4.272101 6.638949 5.644728 4.583394 3.393755 2.151862 3.886886 1.091581 2.485632 3.405865 4.977303 2.160169 0.000000 5.763578 6.665057 8.007322 8.451114 7.741861 6.397717 8.774304 9.526134 8.406720 6.042153 6.169692 4.929344 4.578288 3.391387 3.883966 2.149954 3.405219 4.974579 1.091559 2.495424 2.160437 4.309347 0.000000 6.246708 7.438390 8.688017 8.831827 7.840051 6.475238 9.602208 9.870102 8.281666 5.797023 7.272482 6.061691 5.289368 3.867394 3.405201 3.406153 2.157954 4.309696 2.159166 4.316977 1.091567 2.489411 2.489611 0.000000 3.713055 2.593426 3.208342 4.570535 5.294145 4.989192 2.985290 5.308983 6.375356 5.896284 1.530815 2.494241 3.599165 4.855277 5.926519 5.298693 7.166234 5.965679 6.654585 4.801039 7.481009 8.040052 7.215972 8.539690 0.000000 4.149977 2.848703 2.981729 4.336111 5.287031 5.254528 2.460340 4.894546 6.316901 6.246885 2.255865 3.410775 4.341447 5.675489 6.745133 6.134803 8.024429 6.728493 7.518829 5.588037 8.363242 8.890876 8.065886 9.434111 1.209833 0.000000 4.475713 3.577290 4.371786 5.711109 6.318752 5.838084 4.186592 6.491416 7.409113 6.641228 2.277241 2.708851 4.006225 5.039522 6.207182 5.203010 7.315436 6.414633 6.483843 4.565253 7.436836 8.248021 6.900068 8.443447 1.206415 2.101125 0.000000 4.418851 3.362548 3.623210 4.836008 5.645897 5.510053 3.255301 5.415838 6.649789 6.424019 2.790698 3.626795 4.479999 5.686519 6.403554 6.425979 7.675767 6.154871 7.686988 6.197967 8.245060 8.364467 8.387480 9.285871 2.102870 2.679337 2.716769 0.000000 3.837681 2.825686 2.887089 3.948319 4.752775 4.745248 2.646791 4.502008 5.706267 5.680244 2.721401 3.626259 4.177724 5.431081 5.991803 6.365510 7.320761 5.588737 7.621750 6.277257 8.043868 7.929350 8.424065 9.098228 2.553573 2.969756 3.443973 1.096949 0.000000 5.658401 4.455544 4.405357 5.618661 6.638035 6.692207 3.714004 5.991490 7.600996 7.666465 3.924666 4.878038 5.803198 7.047386 7.808672 7.717657 9.085118 7.552463 9.000225 7.386106 9.621877 9.780799 9.644438 10.662390 2.831236 2.953955 3.312022 1.416767 2.136167 0.000000 6.515218 5.350986 5.423668 6.674896 7.664338 7.631686 4.735635 7.068340 8.648776 8.575982 4.620724 5.438198 6.489132 7.652250 8.465778 8.189879 9.679688 8.289975 9.432356 7.787686 10.118179 10.403270 9.995108 11.128400 3.364319 3.566902 3.478723 2.189243 3.103462 1.091979 0.000000 6.142654 4.832429 4.353480 5.429522 6.647164 6.987917 3.425956 5.544165 7.513940 8.031550 4.626325 5.768084 6.562846 7.905724 8.639717 8.654289 9.978233 8.293817 9.985261 8.317632 10.588824 10.647025 10.662520 11.656134 3.601480 3.232090 4.309234 2.536158 2.767043 1.446191 2.137733 0.000000 5.396668 4.103726 3.318818 4.228869 5.516056 6.041408 2.357726 4.228349 6.309971 7.105983 4.283160 5.508754 6.071315 7.459103 8.106475 8.336568 9.485620 7.669955 9.678095 8.088127 10.196815 10.107270 10.430448 11.278714 3.637792 3.126830 4.629720 2.795491 2.503546 2.350367 3.313174 1.366692 0.000000 7.320115 5.985232 5.425953 6.446428 7.726071 8.142287 4.425680 6.434041 8.550122 9.198435 5.755264 6.900136 7.741180 9.086566 9.847392 9.787192 11.182160 9.507992 11.123919 9.394256 11.766826 11.858078 11.763771 12.832245 4.611363 4.116773 5.186386 3.659685 3.968102 2.369083 2.600313 1.214242 2.247936 0.000000 6.321042 5.064064 3.992345 4.588519 5.968549 6.748541 3.003508 4.246161 6.594640 7.815506 5.452287 6.714105 7.165963 8.567941 9.170832 9.477988 10.562551 8.674587 10.826324 9.231249 11.320033 11.146610 11.591323 12.405301 4.875161 4.149202 5.886947 4.205646 3.835173 3.639139 4.478949 2.347837 1.410554 2.608767 0.000000 7.161332 5.951091 4.907340 5.412729 6.747097 7.550155 3.981135 5.004187 7.309077 8.591543 6.318211 7.543193 7.992085 9.368837 9.890209 10.325780 11.274540 9.327616 11.653030 10.121800 12.088173 11.802265 12.443423 13.164225 5.705665 5.084212 6.660372 4.704489 4.349160 3.989070 4.720298 2.657665 2.080885 2.615860 1.100601 0.000000 5.926817 4.782910 3.531092 3.833332 5.210445 6.145966 2.692102 3.315679 5.723083 7.188470 5.437403 6.677157 6.934188 8.315528 8.830937 9.299949 10.220606 8.276781 10.625020 9.129389 11.042300 10.755842 11.434881 12.120750 5.152892 4.429945 6.269492 4.636061 4.041894 4.368645 5.315865 3.250182 2.018858 3.683619 1.098069 1.797523 0.000000 6.848752 5.530050 4.488174 5.154931 6.565750 7.334622 3.429457 4.802956 7.206156 8.417351 5.809241 7.100210 7.646302 9.066762 9.788830 9.865639 11.176125 9.379661 11.241201 9.509735 11.840943 11.826748 11.937914 12.932094 5.068258 4.151690 5.997129 4.736443 4.546463 4.014621 4.709533 2.660988 2.081967 2.599446 1.100506 1.780522 1.800108 0.000000 4.650681 3.842351 4.392886 5.556856 6.168039 5.815669 4.206374 6.239984 7.178928 6.612290 3.061804 3.521958 4.423149 5.438632 6.112006 6.102495 7.285825 5.933167 7.268504 5.923085 7.800022 7.963834 7.941290 8.795757 2.543912 3.434892 2.753277 1.095755 1.840508 2.143385 2.496196 3.473724 3.862416 4.500656 5.267524 5.691003 5.692737 5.812240 0.000000 C16H17BN3O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0928,1.0103,-.1885;-.2143,.6209,-.4899;-1.2769,1.5322,-.5284;-.9519,2.8558,-.2941;.3794,3.2593,-.032;1.4257,2.3558,.0321;-2.2971,1.1851,-.6993;-1.739,3.6116,-.308;.5862,4.3188,.1318;2.4483,2.6728,.2346;-.1748,-.7455,-.693;1.029,-1.1942,-.5227;1.8089,-.1641,-.2128;3.1996,-.369,.0017;3.8391,.2912,1.0511;3.8997,-1.2357,-.8379;5.2047,.0957,1.245;3.2695,.9331,1.7252;5.2602,-1.4343,-.6224;3.3726,-1.7479,-1.6436;5.9163,-.7652,.4111;5.7103,.609,2.065;5.8132,-2.1136,-1.2738;6.985,-.9204,.5706;-1.3814,-1.6423,-.9815;-2.1732,-1.0636,-1.69;-1.0545,-2.7789,-1.2197;-2.2665,-1.6353,.926;-2.0828,-.6011,1.2421;-3.6234,-1.9833,.7135;-3.9412,-3.028,.7054;-4.6687,-1.0471,.364;-4.2295,.2437,.2695;-5.8347,-1.327,.1733;-5.2232,1.2015,-.0218;-6.0031,1.2179,.7545;-4.7169,2.1753,-.058;-5.7092,.9955,-.9874;-1.6456,-2.378,1.4393; 0.6423158 0.1349882 0.1177177 -19.27210 -19.20451 -14.58187 -14.55405 -14.55331 -10.38671 -10.38586 -10.38419 -10.37107 -10.34906 -10.34483 -10.34356 -10.34040 -10.33946 -10.33833 -10.33767 -10.33632 -10.33615 -10.33560 -10.28294 -10.27813 -6.83782 -1.26117 -1.16649 -1.08158 -1.07069 -1.00398 -0.98684 -0.91622 -0.89664 -0.88210 -0.87470 -0.85743 -0.80039 -0.78387 -0.77735 -0.76820 -0.73199 -0.71349 -0.69653 -0.67345 -0.65589 -0.64525 -0.63206 -0.62648 -0.60776 -0.58776 -0.58022 -0.57058 -0.56805 -0.55817 -0.55482 -0.54934 -0.54417 -0.52713 -0.50881 -0.49560 -0.49206 -0.49021 -0.48574 -0.48053 -0.47553 -0.47051 -0.46653 -0.45964 -0.45418 -0.43910 -0.42879 -0.41643 -0.38413 -0.37419 -0.36970 -0.36930 -0.36423 -0.36144 -0.33571 -0.32951 -0.21351 -0.03007 0.01566 0.02413 0.04479 0.06194 0.11532 0.12472 0.14586 0.14965 0.15958 0.17070 0.17446 0.18618 0.18894 0.19425 0.19669 0.20149 0.20473 0.21364 0.21669 0.22168 0.22660 0.23218 0.24030 0.24661 0.25016 0.25177 0.27389 0.28797 0.29481 0.30061 0.31248 0.32034 0.32520 0.33627 0.33840 0.34657 0.35399 0.36875 0.37037 0.38124 0.38375 0.38589 0.39928 0.40550 0.41055 0.42442 0.43959 0.44303 0.46436 0.46823 0.47342 0.48439 0.49066 0.49429 0.50135 0.51070 0.52542 0.53090 0.53411 0.54451 0.54562 0.55002 0.55061 0.55992 0.57168 0.58464 0.58552 0.59398 0.59592 0.60956 0.61398 0.61762 0.62615 0.63005 0.63449 0.64873 0.65690 0.66169 0.67017 0.67764 0.68317 0.70130 0.70550 0.71436 0.71685 0.72162 0.72882 0.73440 0.74044 0.74922 0.75174 0.75734 0.75948 0.76064 0.76478 0.76768 0.77963 0.78058 0.78653 0.79033 0.79456 0.80069 0.80927 0.81508 0.82108 0.82468 0.83181 0.84574 0.85303 0.85455 0.87143 0.87420 0.87843 0.89030 0.90283 0.90811 0.91931 0.92272 0.93201 0.95805 0.97869 0.98554 0.99422 1.00694 1.01268 1.03412 1.05586 1.07188 1.08888 1.10574 1.12531 1.13480 1.14117 1.15105 1.16398 1.17516 1.18973 1.20127 1.20639 1.21748 1.24677 1.25355 1.26193 1.26932 1.27813 1.28362 1.29692 1.29942 1.30501 1.32551 1.32755 1.33390 1.34576 1.35028 1.35477 1.35977 1.37058 1.39361 1.40342 1.41355 1.43383 1.47211 1.48033 1.48876 1.50497 1.53900 1.55275 1.57361 1.58240 1.61349 1.61856 1.62752 1.64876 1.65385 1.70708 1.71898 1.72686 1.73797 1.74455 1.75605 1.76475 1.76521 1.77225 1.78307 1.79052 1.79784 1.80069 1.80528 1.80957 1.81564 1.82293 1.82792 1.83556 1.83635 1.84369 1.84529 1.85622 1.86262 1.87741 1.88102 1.88643 1.89691 1.91220 1.92784 1.93631 1.94587 1.96059 1.97256 1.98113 1.99581 2.00016 2.00394 2.00845 2.01819 2.02499 2.02987 2.03339 2.03954 2.04847 2.05618 2.06441 2.07916 2.08505 2.10238 2.12347 2.13970 2.14371 2.15888 2.17848 2.18853 2.19897 2.21246 2.21670 2.23086 2.23479 2.24020 2.25898 2.28094 2.29399 2.30050 2.30419 2.31966 2.34046 2.34417 2.34931 2.35590 2.35942 2.37340 2.38441 2.38601 2.40972 2.41171 2.42619 2.45059 2.47138 2.47367 2.48056 2.49545 2.52238 2.56249 2.57630 2.61465 2.61946 2.63099 2.64893 2.66155 2.66594 2.67936 2.68777 2.69215 2.72016 2.75238 2.75407 2.75998 2.77153 2.78400 2.78644 2.79191 2.80068 2.81906 2.82477 2.83832 2.86230 2.91575 2.92177 2.93065 2.93190 2.94369 2.94896 2.96197 2.97430 3.01337 3.05345 3.05728 3.06913 3.10663 3.12455 3.14541 3.14774 3.18212 3.18430 3.25037 3.28115 3.29709 3.32595 3.35711 3.37404 3.43622 3.57061 3.60070 3.72811 3.73784 3.74316 3.78915 -19.27180 -19.20076 -14.58089 -14.55507 -14.55061 -10.38683 -10.38622 -10.38467 -10.37074 -10.34876 -10.34472 -10.34383 -10.34030 -10.33951 -10.33856 -10.33772 -10.33623 -10.33586 -10.33562 -10.27935 -10.27597 -6.83563 -1.25855 -1.16444 -1.08071 -1.06462 -1.00326 -0.98666 -0.91478 -0.89638 -0.88187 -0.87449 -0.84535 -0.79878 -0.78193 -0.77639 -0.76794 -0.73166 -0.71197 -0.68822 -0.67306 -0.65541 -0.64319 -0.62767 -0.62341 -0.60664 -0.58716 -0.57971 -0.56897 -0.56720 -0.55619 -0.55386 -0.54641 -0.54386 -0.52210 -0.50783 -0.49365 -0.49170 -0.48900 -0.48319 -0.47772 -0.47405 -0.46899 -0.45884 -0.45749 -0.44647 -0.43537 -0.42519 -0.41481 -0.38168 -0.37351 -0.36899 -0.36468 -0.35316 -0.34855 -0.32464 -0.31702 -0.02606 0.01534 0.01650 0.02436 0.04724 0.07001 0.11566 0.12485 0.14756 0.15964 0.16221 0.17496 0.18114 0.18635 0.19188 0.19471 0.19834 0.20251 0.20535 0.21403 0.21740 0.22284 0.22780 0.23569 0.24227 0.24842 0.25124 0.25395 0.27505 0.28906 0.29952 0.30213 0.31365 0.32070 0.32761 0.33640 0.33902 0.34677 0.35645 0.37050 0.37257 0.38202 0.38517 0.38757 0.39969 0.41102 0.41147 0.42708 0.44171 0.44400 0.46479 0.46838 0.47419 0.48482 0.49422 0.49749 0.50263 0.51281 0.52616 0.53273 0.53515 0.54483 0.54620 0.55063 0.55168 0.56030 0.57575 0.58537 0.58716 0.59499 0.59659 0.61196 0.61527 0.61807 0.62679 0.63088 0.63591 0.65233 0.65861 0.66353 0.67123 0.67946 0.68675 0.70192 0.70620 0.71480 0.72071 0.72222 0.73000 0.73596 0.74534 0.75028 0.75267 0.75795 0.76028 0.76209 0.76617 0.76955 0.78069 0.78201 0.78837 0.79075 0.79685 0.80710 0.80979 0.81637 0.82216 0.82580 0.83348 0.84699 0.85360 0.85614 0.87254 0.87537 0.88003 0.89113 0.90356 0.90998 0.92180 0.92527 0.93394 0.96029 0.98172 0.98640 0.99470 1.00944 1.01467 1.03558 1.05815 1.07318 1.09028 1.10689 1.12604 1.13691 1.14273 1.15452 1.16724 1.17785 1.19158 1.20497 1.21077 1.21981 1.24736 1.25527 1.26227 1.26959 1.27989 1.28408 1.29726 1.29978 1.30651 1.32766 1.32822 1.33436 1.34624 1.35082 1.35568 1.36407 1.37186 1.39966 1.40857 1.41728 1.43592 1.47964 1.48254 1.49327 1.50614 1.54079 1.55320 1.57633 1.58351 1.61400 1.62007 1.62893 1.64940 1.65501 1.70911 1.71919 1.72712 1.73853 1.74488 1.75707 1.76497 1.76656 1.77356 1.78390 1.79226 1.79878 1.80129 1.80623 1.81027 1.81581 1.82417 1.82887 1.83654 1.83737 1.84467 1.84567 1.85662 1.86301 1.87820 1.88176 1.88732 1.89912 1.91530 1.93453 1.94030 1.94695 1.96179 1.97943 1.98628 1.99683 2.00146 2.00526 2.00917 2.02066 2.02776 2.03090 2.03530 2.03970 2.05076 2.05857 2.06476 2.08244 2.08625 2.10421 2.12448 2.14035 2.14459 2.16091 2.17933 2.18910 2.19912 2.21285 2.21845 2.23177 2.23630 2.24554 2.25979 2.28199 2.29498 2.30239 2.31353 2.32328 2.34104 2.34678 2.35496 2.35796 2.36065 2.37465 2.38517 2.38765 2.40999 2.41244 2.43013 2.45325 2.47275 2.47489 2.48112 2.49604 2.52426 2.56290 2.57665 2.61587 2.62672 2.63169 2.64940 2.66233 2.66667 2.68370 2.69149 2.69800 2.72283 2.75403 2.76046 2.76302 2.77258 2.78412 2.78667 2.79546 2.80341 2.82097 2.83175 2.84036 2.86285 2.91699 2.92239 2.93160 2.93254 2.94673 2.95133 2.96391 2.97779 3.01628 3.05499 3.05921 3.06939 3.10975 3.12485 3.14668 3.14861 3.18226 3.18681 3.25061 3.28346 3.29999 3.33399 3.35756 3.37474 3.43732 3.57294 3.60151 3.72837 3.73845 3.74440 3.79284 2-A. 9.8233 5.9057 0.8236 11.4914 -135.1274 -123.4844 -129.8997 -18.7116 2.7507 1.4425 -5.6236 6.0194 -0.3959 -18.7116 2.7507 1.4425 313.8732 52.0097 8.6893 0.0424 75.1513 8.3785 4.5914 0.5920 6.4796 23.6008 -9760.2771 -1835.1372 -492.1262 -739.6371 126.2868 -22.7303 -4.5521 -5.1352 9.9743 -1891.9627 -1599.7320 -433.2362 84.9060 -29.5339 -11.7387 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0506,1.0816,-.309;-.244,.7534,-.7256;-1.2472,1.713,-.8467;-.8928,3.0308,-.579;.4195,3.3704,-.2063;1.4148,2.4101,-.061;-2.2601,1.4254,-1.1271;-1.6449,3.8171,-.6634;.6661,4.4177,-.021;2.4298,2.686,.2218;-.2546,-.6222,-.9404;.9374,-1.1435,-.6609;1.7271,-.1195,-.2718;3.0791,-.3766,.0455;3.711,.3383,1.0668;3.7714,-1.3667,-.6586;5.0485,.0806,1.3589;3.1532,1.0711,1.6512;5.1019,-1.6246,-.3448;3.2544,-1.9247,-1.4396;5.7485,-.8982,.6559;5.5402,.6404,2.1571;5.6412,-2.3983,-.8949;6.7947,-1.1009,.8924;-1.4359,-1.451,-1.2337;-2.3432,-.8387,-1.7388;-1.2056,-2.5976,-1.5173;-2.0351,-1.6257,.7732;-1.8774,-.5841,1.0661;-3.3268,-2.0675,.6275;-3.5608,-3.1268,.5041;-4.4838,-1.1731,.4999;-4.1402,.1318,.5067;-5.6295,-1.5432,.3984;-5.2066,1.0545,.4043;-5.9096,.9414,1.2428;-4.7537,2.0529,.4274;-5.7635,.9122,-.5336;-1.2414,-2.3346,1.0241; 0.000000 1.399059 0.000000 2.442924 1.393552 0.000000 2.765668 2.372538 1.390628 0.000000 2.376376 2.749254 2.436150 1.405782 0.000000 1.399601 2.436775 2.861733 2.445080 1.390639 0.000000 3.427571 2.162714 1.089613 2.178849 3.436713 3.951064 0.000000 3.856690 3.369333 2.149122 1.091351 2.161071 3.421144 2.512692 0.000000 3.370453 3.840782 3.414333 2.159814 1.091786 2.143029 4.328950 2.472678 0.000000 2.181253 3.432446 3.950786 3.435024 2.166289 1.089180 5.040191 4.320397 2.483568 0.000000 2.237299 1.392353 2.539198 3.725934 4.115122 3.571444 2.872198 4.660158 5.205163 4.416022 0.000000 2.255648 2.235672 3.600967 4.558638 4.566183 3.635356 4.128016 5.592468 5.604453 4.203772 1.330701 0.000000 1.378987 2.202972 3.540493 4.108790 3.727321 2.557435 4.360700 5.198069 4.666270 2.933948 2.151055 1.350459 0.000000 2.523287 3.593713 4.886710 5.270331 4.601832 3.247611 5.755814 6.356566 5.367703 3.135671 3.485141 2.382047 1.412372 0.000000 3.085956 4.362042 5.489598 5.581516 4.652814 3.291965 6.453615 6.616769 5.205429 2.804931 4.547278 3.587969 2.436654 1.397661 0.000000 3.676817 4.541189 5.891201 6.410801 5.820590 4.491615 6.662847 7.497156 6.596068 4.358841 4.103908 2.842736 2.425744 1.398261 2.426422 0.000000 4.446018 5.727893 6.867742 6.910715 5.890693 4.543840 7.836094 7.927972 6.318214 3.865096 5.822722 4.741236 3.705537 2.410933 1.393066 2.792135 0.000000 2.874614 4.158314 5.100560 5.018414 4.026222 2.783281 6.094964 5.993328 4.492410 2.274768 4.604052 3.893597 2.673784 2.163252 1.090704 3.414661 2.158379 0.000000 4.872089 5.863263 7.190421 7.593593 6.847837 5.472961 8.007015 8.673612 7.502621 5.103151 5.481889 4.204044 3.695893 2.408531 2.789201 1.391109 2.410983 3.879098 0.000000 3.895199 4.463219 5.817959 6.518889 6.131448 4.906578 6.459856 7.587674 6.995472 4.969755 3.776039 2.566122 2.637247 2.152322 3.407529 1.090190 3.882183 4.305518 2.168359 0.000000 5.188531 6.367611 7.616855 7.814636 6.882041 5.499074 8.527341 8.867742 7.385643 4.903998 6.217847 4.994064 4.199844 2.787499 2.418489 2.419991 1.393654 3.406487 1.395350 3.415414 0.000000 5.141240 6.463719 7.499480 7.388040 6.265780 5.007051 8.499780 8.346974 6.539781 4.195789 6.690914 5.684080 4.584359 3.398515 2.150769 3.883949 1.091875 2.477680 3.403132 4.973947 2.159699 0.000000 5.790209 6.678116 8.022186 8.501020 7.811371 6.455873 8.780920 9.579739 8.483663 6.116407 6.157671 4.873902 4.571815 3.396408 3.881056 2.148558 3.402304 4.970814 1.091875 2.493562 2.160234 4.307930 0.000000 6.261101 7.456533 8.695710 8.850614 7.864027 6.494585 9.615081 9.891116 8.297537 5.817505 7.299392 6.059904 5.291428 3.879088 3.407461 3.408340 2.159336 4.307387 2.161137 4.318616 1.091592 2.491058 2.491618 0.000000 3.667637 2.556917 3.193133 4.561765 5.267154 4.940532 2.993996 5.302917 6.350551 5.846024 1.472445 2.460673 3.564038 4.814101 5.914704 5.239545 7.149421 5.978538 6.600136 4.718591 7.449210 8.033422 7.148199 8.507914 0.000000 4.153312 2.822750 2.916910 4.292092 5.262822 5.243286 2.346745 4.829119 6.295731 6.248908 2.246418 3.466558 4.385960 5.727018 6.775692 6.231633 8.067104 6.734244 7.615077 5.709781 8.438795 8.917004 8.178919 9.512771 1.205496 0.000000 4.481906 3.575028 4.362700 5.714673 6.322700 5.836466 4.177171 6.486168 7.413267 6.645098 2.267008 2.727696 4.036506 5.072888 6.282531 5.198330 7.386446 6.519080 6.488879 4.511135 7.481317 8.336148 6.877909 8.488315 1.203464 2.106391 0.000000 4.245270 3.333884 3.793654 4.981589 5.651992 5.374461 3.601483 5.642639 6.667020 6.231361 2.667147 3.335406 4.185093 5.314646 6.079569 5.986008 7.309752 5.912898 7.224000 5.741493 7.818410 8.027145 7.893375 8.846191 2.101736 2.650349 2.622879 0.000000 3.638477 2.768953 3.054907 4.091842 4.746831 4.590597 2.999041 4.734460 5.715640 5.473390 2.580850 3.349363 3.872733 5.064772 5.664011 5.957786 6.963913 5.328166 7.196026 5.866037 7.643371 7.596716 7.979085 8.689213 2.497016 2.854609 3.343568 1.093384 0.000000 5.473190 4.392293 4.559624 5.776921 6.655857 6.557842 4.051723 6.254839 7.643369 7.476547 3.739719 4.549405 5.490505 6.650885 7.450625 7.247704 8.677327 7.272552 8.496114 6.899665 9.150379 9.396598 9.102331 10.171018 2.723910 2.841907 3.062808 1.372944 2.119829 0.000000 6.295830 5.250692 5.531850 6.797637 7.652520 7.465461 5.007491 7.297329 8.663817 8.352008 4.392101 5.052189 6.132573 7.201622 8.074852 7.629605 9.227116 8.001075 8.832862 7.188201 9.573578 9.987630 9.336239 10.558983 3.216171 3.427576 3.148531 2.157251 3.100844 1.091856 0.000000 6.030604 4.815570 4.540794 5.633186 6.721952 6.924404 3.787392 5.857866 7.619045 7.922628 4.501589 5.544180 6.346756 7.618362 8.352303 8.338323 9.652746 8.042804 9.633400 8.012886 10.237198 10.320638 10.293812 11.285576 3.517481 3.115428 4.104306 2.505127 2.731468 1.467924 2.160743 0.000000 5.339675 4.133465 3.563888 4.486530 5.638066 6.030816 2.806667 4.601828 6.461253 7.054779 4.214318 5.363916 5.924054 7.251912 7.873890 8.136101 9.228323 7.442230 9.445915 7.918129 9.943324 9.833238 10.200073 11.010930 3.584319 3.035311 4.489782 2.755193 2.438385 2.347968 3.309691 1.349396 0.000000 7.212064 5.961664 5.599771 6.656826 7.816588 8.090803 4.742604 6.762876 8.679981 9.103248 5.615150 6.663767 7.523008 8.793514 9.551533 9.461731 10.843417 9.248815 10.757353 9.080029 11.399167 11.516193 11.376829 12.441874 4.500969 3.982894 4.934842 3.614818 3.929877 2.372692 2.607365 1.208236 2.243927 0.000000 6.297795 5.098524 4.204195 4.845792 6.114647 6.774703 3.341345 4.632177 6.780852 7.810834 5.398341 6.611715 7.064810 8.416085 8.970833 9.359266 10.345413 8.452341 10.677211 9.157715 11.130622 10.896656 11.457949 12.203093 4.814459 4.046768 5.747960 4.168687 3.769172 3.651088 4.494683 2.343936 1.413918 2.631937 0.000000 7.132517 6.000811 5.167163 5.731814 6.932381 7.583136 4.378339 5.485517 7.544657 8.580900 6.260256 7.406265 7.857428 9.163459 9.641147 10.132339 10.992544 9.073010 11.417417 9.969391 11.816972 11.490210 12.212496 12.872220 5.645447 4.977771 6.501621 4.671428 4.314785 4.012851 4.755302 2.656314 2.080451 2.639076 1.100074 0.000000 5.930887 4.832751 3.746206 4.108016 5.375786 6.198058 3.004695 3.737171 5.930177 7.214220 5.410079 6.617387 6.870842 8.209840 8.660249 9.249286 10.041961 8.061088 10.547580 9.134310 10.911328 10.533311 11.384856 11.980315 5.103350 4.343302 6.164277 4.587167 3.954069 4.365045 5.315846 3.238109 2.018261 3.701327 1.096543 1.799058 0.000000 6.819962 5.525169 4.597432 5.311767 6.661797 7.348144 3.590216 5.041620 7.341050 8.417085 5.733097 7.010342 7.565886 8.954860 9.625909 9.804256 11.007915 9.181931 11.159199 9.496927 11.714083 11.622740 11.880995 12.798274 4.980323 4.027033 5.836236 4.695747 4.460958 4.020511 4.716206 2.656061 2.080036 2.629778 1.100078 1.782688 1.801264 0.000000 4.324472 3.686783 4.459082 5.610644 6.067900 5.544788 4.450057 6.391690 7.093947 6.271189 2.786628 3.000809 3.924046 4.843391 5.627808 5.375476 6.745991 5.595068 6.527971 5.142916 7.145422 7.491576 7.145371 8.131278 2.432323 3.329439 2.555248 1.093432 1.862972 2.139582 2.505582 3.483871 3.841116 4.502618 5.252970 5.707269 5.651801 5.780893 0.000000 C16H17BN3O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0535,1.0976,-.2454;-.2426,.7966,-.6777;-1.2435,1.764,-.7427;-.8852,3.0637,-.4018;.4285,3.3785,-.0128;1.4215,2.4091,.0765;-2.2575,1.4951,-1.0372;-1.6355,3.8553,-.4404;.678,4.4131,.2309;2.4376,2.6661,.3727;-.2571,-.5647,-.9696;.934,-1.1039,-.7219;1.727,-.1053,-.2771;3.0789,-.3833,.0228;3.7142,.2713,1.0818;3.7674,-1.3339,-.7371;5.0515,-.0058,1.3566;3.1592,.9714,1.7075;5.0977,-1.6123,-.4406;3.2478,-1.8456,-1.5474;5.7478,-.9451,.5983;5.5458,.5069,2.1842;5.6342,-2.3551,-1.0344;6.7938,-1.1635,.8213;-1.4409,-1.3726,-1.3071;-2.3474,-.7307,-1.7754;-1.214,-2.5021,-1.6554;-2.0375,-1.6587,.6878;-1.8766,-.6357,1.0385;-3.3305,-2.0884,.5195;-3.5675,-3.1385,.337;-4.4854,-1.1854,.4446;-4.1384,.1162,.5243;-5.6322,-1.5463,.3243;-5.2026,1.0459,.4759;-5.9046,.8874,1.3079;-4.7471,2.0402,.5545;-5.7614,.9581,-.4676;-1.2451,-2.3827,.8969; 0.5788415 0.1423685 0.1224617 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= 407 407 407 407 407 MxSgAt= 39 MxSgA2= 39. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 408 408 408 408 408 MxSgAt= 39 MxSgA2= 39. 1 0.7785 Using compressed storage, NAtomX= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11861 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 117 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 114 vectors produced by pass 0 Test12= 4.89D-14 1.00D-09 XBig12= 2.23D-01 1.02D-01. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 4.89D-14 1.00D-09 XBig12= 4.19D-02 6.78D-02. 114 vectors produced by pass 2 Test12= 4.89D-14 1.00D-09 XBig12= 1.34D-03 9.27D-03. 114 vectors produced by pass 3 Test12= 4.89D-14 1.00D-09 XBig12= 2.86D-05 7.39D-04. 114 vectors produced by pass 4 Test12= 4.89D-14 1.00D-09 XBig12= 4.19D-07 9.57D-05. 114 vectors produced by pass 5 Test12= 4.89D-14 1.00D-09 XBig12= 5.03D-09 6.89D-06. 114 vectors produced by pass 6 Test12= 4.89D-14 1.00D-09 XBig12= 4.89D-11 4.95D-07. 75 vectors produced by pass 7 Test12= 4.89D-14 1.00D-09 XBig12= 4.36D-13 4.92D-08. 17 vectors produced by pass 8 Test12= 4.89D-14 1.00D-09 XBig12= 4.44D-15 5.75D-09. 4 vectors produced by pass 9 Test12= 4.89D-14 1.00D-09 XBig12= 1.37D-15 3.07D-09. 4 vectors produced by pass 10 Test12= 4.89D-14 1.00D-09 XBig12= 1.83D-15 3.09D-09. 1 vectors produced by pass 11 Test12= 4.89D-14 1.00D-09 XBig12= 3.26D-16 1.02D-09. InvSVY: IOpt=1 It= 1 EMax= 5.00D-16 Solved reduced A of dimension 899 with 120 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 353.845 5.293 250.087 4.229 25.598 174.691 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C C C C C H H H H N N N C C C C H C H C H H H B H H C H C H C O O C H H H H 13 13 13 13 13 13 1 1 1 1 14 14 14 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 13 17 17 13 1 1 1 1 -0.00780 0.00617 -0.00443 0.00515 -0.00501 0.00523 0.00029 -0.00035 0.00031 -0.00037 -0.01630 0.04897 0.01345 -0.00371 0.00312 0.00198 -0.00082 -0.00010 -0.00119 -0.00012 0.00135 0.00007 0.00008 -0.00011 0.08068 -0.00425 -0.00283 -0.05674 0.00710 0.10040 -0.00856 -0.03580 -0.00214 0.05631 -0.00123 0.00067 -0.00000 0.00060 0.00545 -8.77081 6.93740 -4.98336 5.79314 -5.63166 5.87993 1.27716 -1.56901 1.38775 -1.63164 -5.26616 15.82193 4.34663 -4.16903 3.51276 2.22105 -0.92000 -0.45991 -1.33679 -0.52757 1.52064 0.32922 0.35815 -0.47329 115.71937 -18.97493 -12.65102 -63.78990 31.71939 112.86977 -38.26424 -40.24666 1.29736 -34.13558 -1.38232 3.00467 -0.00475 2.70205 24.35957 -3.12964 2.47544 -1.77819 2.06713 -2.00952 2.09810 0.45572 -0.55986 0.49518 -0.58221 -1.87910 5.64566 1.55099 -1.48761 1.25344 0.79253 -0.32828 -0.16411 -0.47700 -0.18825 0.54260 0.11748 0.12780 -0.16888 41.29155 -6.77073 -4.51420 -22.76182 11.31827 40.27474 -13.65363 -14.36101 0.46293 -12.18042 -0.49325 1.07214 -0.00169 0.96416 8.69210 -2.92563 2.31407 -1.66227 1.93238 -1.87852 1.96133 0.42601 -0.52337 0.46290 -0.54426 -1.75660 5.27763 1.44988 -1.39064 1.17173 0.74086 -0.30688 -0.15341 -0.44590 -0.17598 0.50723 0.10982 0.11947 -0.15787 38.59983 -6.32935 -4.21993 -21.27802 10.58045 37.64930 -12.76358 -13.42484 0.43275 -11.38640 -0.46109 1.00225 -0.00158 0.90131 8.12548 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.010727 -0.009310 0.009115 -0.011870 0.010742 -0.012034 -0.001922 -0.000328 0.001190 0.001080 0.044657 -0.154497 -0.062636 0.006104 -0.001094 -0.002055 0.002600 0.000168 0.002716 0.001910 -0.002582 0.000558 0.000770 0.000930 -0.022203 -0.000811 -0.004300 0.022047 0.003666 -0.267284 -0.034602 0.010615 -0.028163 -0.279268 -0.001697 -0.000667 -0.000995 -0.000922 0.005858 0.016743 -0.010657 0.012246 -0.010426 0.010887 -0.011882 0.004382 0.000955 -0.000571 -0.000516 0.042187 -0.162720 -0.063728 -0.002610 0.003946 0.005912 -0.001930 0.000003 -0.002024 -0.001257 0.001700 -0.000282 -0.000403 -0.000429 -0.061737 -0.009407 0.005792 0.007069 -0.001826 -0.318420 0.040347 -0.007952 -0.020697 -0.294253 0.003314 0.002940 0.002504 0.002132 -0.004388 -0.027471 0.019967 -0.021361 0.022296 -0.021630 0.023916 -0.002460 -0.000627 -0.000620 -0.000565 -0.086844 0.317217 0.126364 -0.003495 -0.002852 -0.003857 -0.000671 -0.000171 -0.000693 -0.000653 0.000881 -0.000276 -0.000367 -0.000501 0.083940 0.010218 -0.001491 -0.029116 -0.001841 0.585704 -0.005745 -0.002663 0.048860 0.573521 -0.001617 -0.002273 -0.001509 -0.001209 -0.001470 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.001335 0.002852 0.000807 0.000816 -0.000593 0.001554 -0.000017 -0.001314 -0.000202 0.001642 -0.009497 0.008779 0.003410 -0.000454 0.004667 0.000758 -0.000902 0.000499 -0.000875 -0.000686 0.001471 0.000062 -0.000097 -0.000042 -0.003580 -0.002972 -0.004407 0.004845 0.004943 -0.020102 0.018756 -0.011111 -0.008136 -0.020867 -0.001226 -0.002026 -0.000694 -0.001455 -0.001177 0.006191 -0.007460 0.001903 -0.006242 0.005733 -0.005739 -0.000651 -0.000274 0.000185 0.000256 0.063909 -0.064484 -0.021653 0.002181 -0.000755 -0.001027 0.001041 0.000559 0.000730 -0.000924 -0.001191 0.000166 0.000009 0.000139 -0.071733 0.002223 -0.006688 0.020753 0.001276 -0.240682 -0.010024 -0.002534 -0.019086 -0.158793 -0.000357 -0.000301 0.000037 0.000951 0.001407 0.005722 -0.006775 0.002984 -0.006283 0.003784 -0.004313 -0.001463 -0.000508 -0.000172 0.000160 0.045972 -0.065421 -0.010790 0.004782 -0.003339 -0.003276 0.002687 0.000851 0.002680 0.000572 -0.005542 0.000097 0.000029 -0.000262 0.004293 -0.007821 0.006031 0.000478 0.000594 0.070752 0.001747 0.001442 0.014033 0.108007 -0.000293 0.000570 -0.000530 -0.002307 0.000184 -0.1561 -0.1265 0.9796 0.9835 0.0716 0.166 -0.0911 0.9894 0.1133 -0.0292 0.0117 0.0175 -3.918 1.567 2.351 -1.398 0.559 0.839 -1.307 0.523 0.784 1 C 13 -0.5603 0.8271 0.0433 0.7941 0.5216 0.3118 -0.2354 -0.2091 0.9491 -0.0129 -0.0104 0.0233 -1.737 -1.391 3.128 -0.62 -0.496 1.116 -0.579 -0.464 1.043 2 C 13 -0.0591 -0.0859 0.9945 0.963 -0.2673 0.0341 0.263 0.9598 0.0986 -0.0217 0.009 0.0128 -2.916 1.202 1.714 -1.041 0.429 0.612 -0.973 0.401 0.572 3 C 13 0.9605 0.1899 0.2035 -0.2203 0.9655 0.1387 -0.1701 -0.1781 0.9692 -0.013 -0.0115 0.0245 -1.749 -1.545 3.294 -0.624 -0.551 1.175 -0.583 -0.515 1.099 4 C 13 -0.1681 -0.1121 0.9794 -0.1508 0.9847 0.0869 0.9742 0.1331 0.1825 -0.023 0.0113 0.0117 -3.093 1.518 1.575 -1.104 0.542 0.562 -1.032 0.506 0.525 5 C 13 0.8009 -0.5964 0.054 0.5783 0.7937 0.1889 -0.1555 -0.1201 0.9805 -0.0136 -0.0118 0.0254 -1.822 -1.58 3.402 -0.65 -0.564 1.214 -0.608 -0.527 1.135 6 C 13 0.4762 0.1697 0.8628 0.8792 -0.1112 -0.4633 0.0173 0.9792 -0.2022 -0.0031 -0.0016 0.0047 -1.658 -0.841 2.499 -0.592 -0.3 0.892 -0.553 -0.281 0.834 7 H 1 0.6953 0.4891 0.5266 -0.508 -0.1838 0.8415 -0.5084 0.8526 -0.1207 -0.0015 -4.0E-4 0.0018 -0.779 -0.187 0.966 -0.278 -0.067 0.345 -0.26 -0.062 0.322 8 H 1 -0.0042 0.6531 0.7573 0.1632 0.7476 -0.6438 0.9866 -0.1209 0.1098 -8.0E-4 -5.0E-4 0.0012 -0.41 -0.249 0.659 -0.146 -0.089 0.235 -0.137 -0.083 0.22 9 H 1 -0.5305 0.8477 -1.0E-4 -0.094 -0.0588 0.9938 0.8424 0.5273 0.1109 -0.0015 -6.0E-4 0.0021 -0.823 -0.319 1.142 -0.294 -0.114 0.408 -0.275 -0.106 0.381 10 H 1 -0.3519 -0.2659 0.8975 -0.4568 0.8857 0.0833 0.817 0.3807 0.4331 -0.1255 0.0514 0.0741 -4.841 1.983 2.858 -1.727 0.708 1.02 -1.615 0.661 0.953 11 N 14 -0.0171 0.9913 0.1304 0.9911 -4.0E-4 0.133 -0.1319 -0.1316 0.9825 -0.1715 -0.1632 0.3346 -6.614 -6.292 12.906 -2.36 -2.245 4.605 -2.206 -2.099 4.305 12 N 14 0.762 -0.6458 0.0493 0.6377 0.7614 0.1166 -0.1128 -0.0574 0.992 -0.0669 -0.0625 0.1295 -2.581 -2.411 4.993 -0.921 -0.86 1.782 -0.861 -0.804 1.665 13 N 14 -0.1348 -0.6561 0.7426 -0.2208 0.7505 0.6229 0.9659 0.08 0.2461 -0.0081 0.0015 0.0066 -1.089 0.2 0.889 -0.389 0.072 0.317 -0.363 0.067 0.296 14 C 13 -0.5151 0.5276 0.6755 0.7195 -0.1622 0.6753 0.4659 0.8338 -0.2961 -0.0049 -0.0029 0.0077 -0.655 -0.383 1.038 -0.234 -0.137 0.371 -0.219 -0.128 0.346 15 C 13 0.2531 0.2608 0.9316 0.9609 -0.1799 -0.2106 0.1127 0.9485 -0.2962 -0.0051 -0.002 0.007 -0.678 -0.265 0.943 -0.242 -0.094 0.336 -0.226 -0.088 0.314 16 C 13 0.1921 0.7637 -0.6163 -0.1655 0.6442 0.7467 0.9673 -0.0415 0.2501 -0.0043 0.0014 0.0029 -0.58 0.19 0.39 -0.207 0.068 0.139 -0.194 0.063 0.13 17 C 13 -0.1003 -0.634 0.7668 0.8228 -0.4862 -0.2943 0.5594 0.6014 0.5704 -9.0E-4 -3.0E-4 0.0013 -0.506 -0.174 0.68 -0.18 -0.062 0.243 -0.169 -0.058 0.227 18 H 1 0.1601 0.7769 -0.6089 -0.0232 0.6196 0.7845 0.9868 -0.1115 0.1173 -0.0043 0.0014 0.0029 -0.578 0.188 0.389 -0.206 0.067 0.139 -0.193 0.063 0.13 19 C 13 0.0439 0.8748 -0.4824 0.3881 0.43 0.8152 0.9206 -0.223 -0.3206 -0.0016 -8.0E-4 0.0024 -0.857 -0.423 1.28 -0.306 -0.151 0.457 -0.286 -0.141 0.427 20 H 1 -0.0926 0.6891 0.7188 0.9775 -0.0743 0.1972 0.1893 0.7209 -0.6667 -0.0043 -0.0029 0.0072 -0.574 -0.394 0.968 -0.205 -0.14 0.345 -0.192 -0.131 0.323 21 C 13 -0.0868 -0.6655 0.7414 -0.1971 0.7409 0.642 0.9765 0.0904 0.1955 -4.0E-4 -2.0E-4 6.0E-4 -0.204 -0.115 0.318 -0.073 -0.041 0.114 -0.068 -0.038 0.106 22 H 1 0.0757 0.8908 -0.448 0.0314 0.4469 0.894 0.9966 -0.0817 0.0059 -4.0E-4 -4.0E-4 8.0E-4 -0.227 -0.188 0.415 -0.081 -0.067 0.148 -0.076 -0.063 0.138 23 H 1 -0.0472 0.6485 0.7597 0.1057 0.7596 -0.6418 0.9933 -0.05 0.1044 -7.0E-4 -2.0E-4 9.0E-4 -0.391 -0.114 0.505 -0.14 -0.041 0.18 -0.131 -0.038 0.169 24 H 1 0.2854 0.9518 0.112 0.8461 -0.3051 0.437 -0.4501 0.0299 0.8925 -0.0623 -0.058 0.1203 -10.667 -9.923 20.591 -3.806 -3.541 7.347 -3.558 -3.31 6.868 25 B 11 0.1797 0.9355 0.3042 0.9608 -0.1006 -0.2583 0.211 -0.3387 0.9169 -0.0125 -0.0011 0.0136 -6.681 -0.586 7.266 -2.384 -0.209 2.593 -2.228 -0.195 2.424 26 H 1 0.7645 -0.0331 0.6438 0.4998 0.6612 -0.5595 -0.4072 0.7495 0.522 -0.0097 -0.0026 0.0124 -5.198 -1.41 6.608 -1.855 -0.503 2.358 -1.734 -0.47 2.204 27 H 1 -0.3359 0.027 0.9415 -0.1786 0.9796 -0.0918 0.9248 0.199 0.3243 -0.0365 0.0061 0.0304 -4.899 0.824 4.075 -1.748 0.294 1.454 -1.634 0.275 1.359 28 C 13 -0.5118 0.8577 0.0496 -0.1125 -0.1242 0.9859 0.8517 0.4989 0.16 -0.0047 -0.0021 0.0068 -2.529 -1.1 3.629 -0.903 -0.392 1.295 -0.844 -0.367 1.211 29 H 1 0.9498 0.2084 0.2333 -0.1834 0.9751 -0.1244 -0.2535 0.0754 0.9644 -0.3308 -0.3237 0.6545 -44.393 -43.433 87.826 -15.841 -15.498 31.339 -14.808 -14.488 29.296 30 C 13 0.9373 -0.2195 0.2706 -0.2605 0.0741 0.9626 0.2314 0.9728 -0.0123 -0.0419 -0.0029 0.0448 -22.35 -1.546 23.896 -7.975 -0.552 8.527 -7.455 -0.516 7.971 31 H 1 0.4214 0.9066 -0.0229 0.1473 -0.0435 0.9881 0.8949 -0.4197 -0.1519 -0.0132 -0.0031 0.0163 -1.765 -0.417 2.182 -0.63 -0.149 0.778 -0.589 -0.139 0.728 32 C 13 0.9106 0.3878 0.143 -0.3409 0.9003 -0.2707 -0.2337 0.1978 0.952 -0.0346 -0.0218 0.0565 2.505 1.58 -4.086 0.894 0.564 -1.458 0.836 0.527 -1.363 33 O 17 0.7495 0.6598 0.0541 -0.6382 0.7418 -0.2062 -0.1762 0.12 0.977 -0.3091 -0.3063 0.6154 22.366 22.166 -44.532 7.981 7.909 -15.89 7.461 7.394 -14.854 34 O 17 0.8096 0.2072 0.5492 -0.5432 -0.0904 0.8348 -0.2226 0.9741 -0.0394 -0.0023 -0.0014 0.0036 -0.302 -0.182 0.484 -0.108 -0.065 0.173 -0.101 -0.061 0.161 35 C 13 0.0908 -0.0723 0.9932 0.9085 0.4145 -0.0529 -0.4078 0.9072 0.1033 -0.0023 -0.0016 0.0039 -1.25 -0.84 2.089 -0.446 -0.3 0.746 -0.417 -0.28 0.697 36 H 1 0.1107 0.1463 0.983 0.9766 0.1673 -0.1349 -0.1842 0.975 -0.1243 -0.0016 -0.0011 0.0027 -0.845 -0.597 1.442 -0.302 -0.213 0.515 -0.282 -0.199 0.481 37 H 1 -0.1858 0.3962 0.8992 0.9233 0.3834 0.0218 -0.3361 0.8343 -0.4371 -0.0024 -0.0015 0.0039 -1.292 -0.803 2.095 -0.461 -0.286 0.748 -0.431 -0.268 0.699 38 H 1 3.86479736e+00 2.32347633e+00 3.24014155e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 6 6 6 6 6 6 1 1 1 1 7 7 7 6 6 6 6 1 6 1 6 1 1 1 5 1 1 6 1 6 1 6 8 8 6 1 1 1 1 0.000001358 -0.000006443 0.000003632 0.000000367 0.000000793 0.000000819 -0.000004423 0.000004181 -0.000000554 -0.000001347 -0.000003019 -0.000000133 0.000003007 -0.000001186 0.000000431 -0.000001042 0.000004052 -0.000002048 -0.000000101 -0.000000943 0.000000859 0.000000582 0.000001315 -0.000000735 0.000000205 0.000000022 -0.000000486 -0.000000737 0.000000132 0.000000812 0.000011980 -0.000008652 0.000004124 -0.000011845 0.000003758 -0.000003671 0.000000423 0.000004566 -0.000003314 0.000001489 -0.000000654 0.000004614 -0.000002750 -0.000000068 -0.000003000 -0.000000415 -0.000001856 0.000000737 0.000001257 -0.000001939 0.000000158 0.000000999 0.000000010 0.000000980 -0.000000681 -0.000001167 -0.000000324 0.000000214 -0.000000283 0.000000073 0.000000339 0.000001024 0.000001660 -0.000000355 -0.000000098 0.000000415 -0.000000414 -0.000000365 0.000000525 -0.000000068 -0.000000751 0.000000472 -0.013144331 0.000106706 0.028335517 -0.000000705 -0.000002470 0.000000508 -0.000002658 -0.000000433 -0.000001635 0.013143258 -0.000101176 -0.028332993 0.000000458 -0.000000233 -0.000000820 0.000000926 0.000001688 -0.000001766 -0.000000813 0.000000410 -0.000000954 0.000011515 0.000001189 0.000004686 0.000001841 -0.000002585 -0.000003975 -0.000007869 -0.000000865 -0.000001931 -0.000002036 0.000005126 -0.000000296 -0.000000492 -0.000000565 -0.000000389 0.000000463 0.000000335 0.000000372 0.000000473 0.000000547 -0.000000852 0.000001927 -0.000000105 -0.000001517 0.028335517 0.004083740 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.8057 0.8046 0.8055 0.8056 0.8053 0.8051 0.8054 0.8054 0.8054 0.8054 0.8055 0.8055 open 1 1 1 -958.410599993733 -958.410600511081 -0.000000517348 -958.410600555058 -0.000000043977 -958.410600556736 -0.000000001678 -958.410600557631 -0.000000000895 -958.410600557670 -0.000000000039 -958.410600557717 -0.000000000047 -958.410600557736 -0.000000000019 -958.410600557753 -0.000000000016 -958.410600557743 0.000000000010 -958.410600557758 -0.000000000016 -958.410600558 11 0.8055 9.486742005745e+02 -5.562082605091e+03 1.986325797466e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572509232 LenY= 1572336566 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. 0.8055 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C C C C C H H H H N N N C C C C H C H C H H H B H H C H C H C O O C H H H H 13 13 13 13 13 13 1 1 1 1 14 14 14 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 13 17 17 13 1 1 1 1 -0.01701 0.00604 -0.00545 0.00869 -0.00817 0.01102 0.00025 -0.00070 0.00041 -0.00084 -0.02745 0.13781 0.02980 -0.01069 0.00743 0.00562 -0.00382 -0.00039 -0.00442 -0.00044 0.00522 0.00024 0.00027 -0.00041 0.06047 -0.00381 -0.00401 -0.04968 0.00499 0.06665 -0.00551 -0.02329 -0.00146 0.02927 -0.00064 0.00036 0.00000 0.00033 0.00423 -19.11839 6.78873 -6.13153 9.76706 -9.17929 12.38317 1.12040 -3.11314 1.84354 -3.74378 -8.87077 44.52784 9.62848 -12.01643 8.35223 6.31825 -4.29153 -1.75199 -4.96716 -1.95558 5.86535 1.05315 1.19814 -1.83559 86.73499 -17.04749 -17.93410 -55.85357 22.32580 74.92679 -24.62687 -26.18312 0.88274 -17.74292 -0.72447 1.61495 0.01489 1.47980 18.92336 -6.82192 2.42239 -2.18788 3.48513 -3.27540 4.41862 0.39979 -1.11085 0.65782 -1.33587 -3.16531 15.88864 3.43568 -4.28776 2.98028 2.25451 -1.53132 -0.62515 -1.77241 -0.69780 2.09290 0.37579 0.42753 -0.65498 30.94920 -6.08297 -6.39933 -19.92994 7.96640 26.73574 -8.78748 -9.34279 0.31498 -6.33111 -0.25851 0.57625 0.00531 0.52803 6.75232 -6.37721 2.26448 -2.04526 3.25794 -3.06188 4.13058 0.37373 -1.03843 0.61494 -1.24879 -2.95897 14.85289 3.21172 -4.00825 2.78600 2.10754 -1.43150 -0.58440 -1.65687 -0.65231 1.95647 0.35129 0.39966 -0.61229 28.93168 -5.68643 -5.98217 -18.63074 7.44708 24.99289 -8.21464 -8.73375 0.29445 -5.91840 -0.24166 0.53869 0.00497 0.49361 6.31215 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.015812 -0.011238 0.006907 -0.020445 0.012788 -0.025929 -0.000550 0.000070 0.001381 0.002254 -0.006514 -0.401908 -0.139537 0.014551 -0.005871 -0.008197 0.006842 -0.000517 0.007649 0.004476 -0.009732 0.001148 0.001683 0.002588 -0.026662 0.003975 -0.003408 0.068174 0.009158 -0.195096 -0.024210 0.009529 -0.014410 -0.159607 -0.000599 -0.000032 -0.000164 0.000078 0.003504 0.036849 -0.009347 0.010068 -0.020495 0.014086 -0.026490 0.002801 0.000831 -0.000371 -0.001227 0.002773 -0.469548 -0.149217 -0.004855 0.012360 0.018696 -0.004981 0.000404 -0.005350 -0.002883 0.004764 -0.000528 -0.000906 -0.001266 -0.050424 -0.006983 0.004321 0.050511 -0.008799 -0.195277 0.025668 -0.000588 -0.012558 -0.159839 0.001432 0.001110 0.001195 0.001172 -0.004206 -0.052661 0.020585 -0.016976 0.040940 -0.026874 0.052419 -0.002251 -0.000901 -0.001010 -0.001027 0.003741 0.871456 0.288754 -0.009696 -0.006488 -0.010499 -0.001862 0.000112 -0.002298 -0.001593 0.004968 -0.000620 -0.000777 -0.001322 0.077086 0.003008 -0.000912 -0.118684 -0.000359 0.390373 -0.001458 -0.008940 0.026968 0.319445 -0.000833 -0.001077 -0.001031 -0.001250 0.000702 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.005941 -0.001720 -0.001627 0.002193 -0.002629 0.003704 -0.001813 -0.003499 -0.000488 0.003049 -0.029727 0.072244 0.023081 -0.004748 0.014633 0.007800 -0.005028 0.000454 -0.004547 -0.002881 0.007712 -0.000284 -0.000352 -0.000407 0.006224 -0.003799 0.001486 -0.001585 0.001147 0.011124 0.008944 -0.004165 -0.002620 0.002137 -0.000869 -0.001165 -0.000693 -0.001193 0.008990 0.020207 -0.010772 0.003046 -0.017741 0.011374 -0.019115 -0.000061 -0.000568 0.000522 0.001071 0.076273 -0.376319 -0.107170 0.010294 -0.005186 -0.004522 0.004690 0.000873 0.004490 -0.001202 -0.007287 0.000364 0.000489 0.000653 -0.043742 0.004500 -0.002910 0.042120 -0.001251 -0.103597 -0.003267 -0.001301 -0.011729 -0.029626 -0.000515 -0.000588 -0.000230 0.000339 -0.002219 0.016061 -0.007382 0.004430 -0.013906 0.006878 -0.012472 -0.000478 -0.000885 -0.000097 0.000707 0.046110 -0.263328 -0.070942 0.013625 -0.014527 -0.014683 0.009618 0.002138 0.009613 0.001557 -0.020722 0.000191 0.000039 -0.001100 -0.014024 -0.007102 0.006954 0.033976 -0.002212 -0.079133 0.004612 0.000179 -0.000100 -0.038415 0.000455 0.000794 0.000192 -0.000735 -0.000365 -0.2625 -0.1715 0.9495 0.9573 0.0775 0.2787 -0.1214 0.9821 0.1439 -0.0611 0.0212 0.0399 -8.206 2.847 5.359 -2.928 1.016 1.912 -2.737 0.95 1.788 1 C 13 0.7949 0.5094 0.3296 -0.5431 0.8396 0.0121 -0.2706 -0.1886 0.9441 -0.0168 -0.0083 0.0251 -2.255 -1.119 3.374 -0.805 -0.399 1.204 -0.752 -0.373 1.126 2 C 13 -0.1296 -0.1613 0.9784 0.9506 0.2605 0.1689 -0.2821 0.9519 0.1196 -0.0181 0.007 0.0111 -2.43 0.94 1.49 -0.867 0.335 0.532 -0.811 0.313 0.497 3 C 13 0.824 0.4702 0.3161 -0.5084 0.8599 0.0463 -0.25 -0.1988 0.9476 -0.026 -0.0225 0.0485 -3.489 -3.025 6.513 -1.245 -1.079 2.324 -1.164 -1.009 2.173 4 C 13 -0.2567 -0.1601 0.9532 0.5219 0.8071 0.2761 0.8135 -0.5683 0.1236 -0.0311 0.0147 0.0164 -4.172 1.978 2.194 -1.489 0.706 0.783 -1.392 0.66 0.732 5 C 13 0.9264 -0.3399 0.1622 0.3029 0.9283 0.2155 -0.2238 -0.1505 0.9629 -0.0306 -0.0282 0.0588 -4.111 -3.781 7.892 -1.467 -1.349 2.816 -1.371 -1.261 2.632 6 C 13 0.1929 0.1581 0.9684 0.8975 0.3705 -0.2392 -0.3966 0.9153 -0.0704 -0.0023 -0.0013 0.0036 -1.249 -0.684 1.933 -0.446 -0.244 0.69 -0.417 -0.228 0.645 7 H 1 0.6827 0.6311 0.3684 -0.3129 -0.2031 0.9278 -0.6603 0.7487 -0.0588 -0.0035 -5.0E-4 0.004 -1.852 -0.275 2.127 -0.661 -0.098 0.759 -0.618 -0.092 0.709 8 H 1 -0.2058 -0.0079 0.9786 0.2364 0.97 0.0575 0.9496 -0.2431 0.1978 -0.0011 -5.0E-4 0.0016 -0.597 -0.264 0.862 -0.213 -0.094 0.307 -0.199 -0.088 0.287 9 H 1 -0.4949 0.8679 -0.0426 -0.2228 -0.0793 0.9716 0.8399 0.4903 0.2326 -0.003 -0.0013 0.0043 -1.601 -0.71 2.31 -0.571 -0.253 0.824 -0.534 -0.237 0.771 10 H 1 -0.63 -0.4475 0.6347 -0.4849 0.865 0.1286 0.6066 0.2268 0.762 -0.1045 0.0263 0.0782 -4.029 1.014 3.015 -1.438 0.362 1.076 -1.344 0.338 1.006 11 N 14 -0.0625 0.9836 0.1693 0.9637 0.0154 0.2665 -0.2595 -0.1798 0.9489 -0.5195 -0.5048 1.0243 -20.035 -19.469 39.504 -7.149 -6.947 14.096 -6.683 -6.494 13.177 12 N 14 0.809 -0.5794 0.0996 0.5414 0.8003 0.2578 -0.229 -0.1547 0.961 -0.1693 -0.1565 0.3257 -6.528 -6.034 12.562 -2.329 -2.153 4.482 -2.177 -2.013 4.19 13 N 14 -0.2733 -0.5974 0.7539 -0.2205 0.8018 0.5554 0.9363 0.0144 0.3509 -0.0242 0.0059 0.0183 -3.251 0.79 2.46 -1.16 0.282 0.878 -1.084 0.264 0.821 14 C 13 -0.54 0.5874 0.6028 0.7292 -0.0311 0.6836 0.4203 0.8087 -0.4115 -0.016 -0.0114 0.0274 -2.147 -1.524 3.671 -0.766 -0.544 1.31 -0.716 -0.508 1.225 15 C 13 0.1733 0.3436 0.923 0.9537 -0.2925 -0.0702 0.2459 0.8924 -0.3784 -0.0168 -0.0103 0.0271 -2.256 -1.376 3.633 -0.805 -0.491 1.296 -0.753 -0.459 1.212 16 C 13 0.2964 0.7246 -0.6222 -0.1047 0.6722 0.7329 0.9493 -0.1521 0.2751 -0.0153 0.0063 0.009 -2.053 0.844 1.209 -0.732 0.301 0.431 -0.685 0.282 0.403 17 C 13 -0.2521 -0.6204 0.7426 0.926 -0.3776 -0.0011 0.2812 0.6874 0.6697 -0.002 -7.0E-4 0.0027 -1.051 -0.375 1.426 -0.375 -0.134 0.509 -0.351 -0.125 0.476 18 H 1 0.2674 0.729 -0.6301 -0.118 0.6738 0.7295 0.9563 -0.1207 0.2662 -0.0153 0.0059 0.0095 -2.057 0.786 1.271 -0.734 0.28 0.454 -0.686 0.262 0.424 19 C 13 0.2352 0.8865 -0.3986 0.3303 0.3128 0.8905 0.9141 -0.3411 -0.2193 -0.0043 -0.0015 0.0058 -2.32 -0.796 3.116 -0.828 -0.284 1.112 -0.774 -0.266 1.039 20 H 1 -0.0943 0.7225 0.6849 0.959 -0.1187 0.2572 -0.2671 -0.6811 0.6817 -0.0159 -0.0126 0.0285 -2.132 -1.696 3.828 -0.761 -0.605 1.366 -0.711 -0.566 1.277 21 C 13 -0.2224 -0.6026 0.7664 -0.0013 0.7863 0.6179 0.975 -0.1364 0.1756 -9.0E-4 -4.0E-4 0.0013 -0.467 -0.202 0.669 -0.167 -0.072 0.239 -0.156 -0.067 0.223 22 H 1 0.204 0.8158 -0.5411 -0.0817 0.565 0.8211 0.9756 -0.1233 0.1819 -0.001 -8.0E-4 0.0018 -0.544 -0.426 0.97 -0.194 -0.152 0.346 -0.182 -0.142 0.324 23 H 1 -0.0387 0.688 0.7246 0.2428 0.7099 -0.6611 0.9693 -0.1503 0.1945 -0.0024 -4.0E-4 0.0028 -1.281 -0.203 1.485 -0.457 -0.073 0.53 -0.427 -0.068 0.495 24 H 1 -0.1367 0.9887 0.061 0.9297 0.1068 0.3525 -0.342 -0.1049 0.9338 -0.0521 -0.0425 0.0947 -8.929 -7.282 16.211 -3.186 -2.598 5.784 -2.978 -2.429 5.407 25 B 11 0.1001 0.8977 0.4291 0.7763 0.1993 -0.5981 0.6224 -0.393 0.6769 -0.0108 -5.0E-4 0.0113 -5.763 -0.249 6.012 -2.056 -0.089 2.145 -1.922 -0.083 2.005 26 H 1 0.5764 -0.453 0.6801 0.8164 0.3565 -0.4544 -0.0366 0.8171 0.5753 -0.008 -0.0011 0.0091 -4.274 -0.608 4.882 -1.525 -0.217 1.742 -1.426 -0.203 1.628 27 H 1 -0.2021 -0.1792 0.9628 -0.274 0.9542 0.1201 0.9402 0.2395 0.242 -0.1339 0.0552 0.0786 -17.961 7.413 10.549 -6.409 2.645 3.764 -5.991 2.473 3.519 28 C 13 -0.0445 0.9717 0.2321 0.1584 -0.2225 0.962 0.9864 0.0795 -0.144 -0.0094 -1.0E-4 0.0094 -5.005 -0.029 5.033 -1.786 -0.01 1.796 -1.669 -0.01 1.679 29 H 1 0.9369 0.2878 0.1984 -0.3069 0.9489 0.0727 -0.1673 -0.129 0.9774 -0.2136 -0.2049 0.4186 -28.665 -27.501 56.166 -10.229 -9.813 20.042 -9.562 -9.173 18.735 30 C 13 0.9703 -0.1808 0.1604 -0.1815 -0.1068 0.9776 0.1596 0.9777 0.1364 -0.0264 -0.0014 0.0278 -14.095 -0.723 14.818 -5.029 -0.258 5.287 -4.702 -0.241 4.943 31 H 1 0.0733 0.015 0.9972 0.3338 0.9419 -0.0387 0.9398 -0.3357 -0.064 -0.009 -0.0021 0.0111 -1.212 -0.278 1.49 -0.433 -0.099 0.532 -0.404 -0.093 0.497 32 C 13 0.8912 0.3909 0.2303 -0.3748 0.9203 -0.1119 -0.2557 0.0134 0.9667 -0.0186 -0.0115 0.0301 1.345 0.831 -2.176 0.48 0.296 -0.776 0.449 0.277 -0.726 33 O 17 0.1457 0.9855 0.0874 0.9874 -0.1503 0.0488 -0.0613 -0.0792 0.995 -0.1629 -0.1614 0.3243 11.79 11.679 -23.468 4.207 4.167 -8.374 3.933 3.896 -7.828 34 O 17 0.6884 0.1007 0.7183 -0.6286 -0.4113 0.6601 -0.3619 0.9059 0.2198 -0.0013 -6.0E-4 0.0019 -0.17 -0.084 0.254 -0.06 -0.03 0.09 -0.057 -0.028 0.085 35 C 13 0.2543 -0.1833 0.9496 0.8201 0.5613 -0.1113 -0.5126 0.8071 0.293 -0.0014 -7.0E-4 0.0021 -0.741 -0.4 1.141 -0.264 -0.143 0.407 -0.247 -0.133 0.38 36 H 1 0.2333 -0.0111 0.9723 0.89 0.4053 -0.2089 -0.3918 0.9141 0.1044 -0.0011 -4.0E-4 0.0015 -0.581 -0.227 0.808 -0.207 -0.081 0.288 -0.194 -0.076 0.27 37 H 1 -0.0055 0.2671 0.9637 0.8556 0.5001 -0.1337 -0.5176 0.8238 -0.2312 -0.0015 -7.0E-4 0.0021 -0.776 -0.359 1.135 -0.277 -0.128 0.405 -0.259 -0.12 0.379 38 H 1 PT23155.400S Tue Oct 1 11:26:55 2024 -19.29420 -19.23083 -14.55112 -14.52975 -14.51611 -10.41289 -10.36955 -10.36890 -10.35831 -10.35015 -10.33252 -10.32798 -10.32781 -10.32697 -10.32396 -10.32297 -10.32200 -10.32131 -10.31951 -10.31315 -10.30996 -6.84907 -1.22149 -1.19285 -1.09716 -1.05693 -0.98668 -0.96880 -0.89841 -0.88983 -0.87983 -0.86514 -0.85760 -0.80939 -0.78755 -0.76080 -0.74842 -0.71998 -0.71267 -0.69615 -0.65904 -0.64782 -0.63867 -0.63326 -0.60914 -0.59482 -0.59143 -0.57520 -0.57206 -0.56399 -0.55481 -0.55178 -0.54938 -0.53853 -0.52726 -0.52389 -0.50575 -0.49795 -0.48950 -0.47930 -0.47753 -0.47460 -0.46379 -0.46090 -0.45513 -0.45153 -0.44331 -0.43580 -0.42407 -0.39829 -0.38249 -0.37376 -0.36075 -0.35960 -0.35366 -0.35325 -0.32685 -0.20943 -0.02814 0.02795 0.03993 0.05495 0.07203 0.12451 0.13265 0.13731 0.15147 0.15765 0.16955 0.17559 0.18292 0.18916 0.19096 0.19945 0.20612 0.20748 0.21355 0.21758 0.22360 0.22778 0.23093 0.23464 0.24514 0.25183 0.25298 0.25753 0.29541 0.29760 0.30462 0.31605 0.32811 0.33415 0.34098 0.34903 0.35451 0.35673 0.36268 0.36934 0.38185 0.38544 0.39796 0.39872 0.41110 0.41675 0.42111 0.43558 0.45442 0.47681 0.48123 0.48435 0.49038 0.49615 0.50403 0.51660 0.51857 0.52818 0.53508 0.53907 0.54367 0.55343 0.55525 0.55939 0.56696 0.57349 0.57760 0.58291 0.58553 0.60230 0.60794 0.62309 0.62672 0.62972 0.63354 0.63852 0.64690 0.66116 0.67254 0.67657 0.68778 0.69163 0.70681 0.71197 0.71596 0.72067 0.72608 0.72910 0.73840 0.74019 0.74107 0.74492 0.75363 0.75889 0.76203 0.76569 0.77147 0.77826 0.78207 0.78443 0.78721 0.79315 0.79774 0.81060 0.81566 0.82018 0.82685 0.83633 0.84824 0.85900 0.86714 0.87429 0.88076 0.88643 0.89331 0.91279 0.91509 0.92144 0.93126 0.93413 0.95813 0.97309 0.99702 1.00116 1.01061 1.03486 1.03632 1.06558 1.08898 1.09412 1.10617 1.12407 1.12768 1.14143 1.15370 1.16457 1.17173 1.19033 1.19736 1.21314 1.22590 1.24732 1.26386 1.26655 1.27817 1.28608 1.29595 1.30275 1.30698 1.31824 1.32130 1.33271 1.34895 1.35474 1.36101 1.36756 1.37459 1.37834 1.39082 1.40110 1.42686 1.44014 1.45274 1.47816 1.49854 1.51068 1.52989 1.54447 1.57503 1.58030 1.59939 1.61394 1.63716 1.64381 1.66378 1.67962 1.73207 1.73757 1.74399 1.75026 1.75773 1.76437 1.76855 1.77489 1.78233 1.79505 1.80290 1.80744 1.81330 1.81806 1.82428 1.82555 1.82970 1.83836 1.84879 1.85304 1.85865 1.86243 1.86853 1.87363 1.87925 1.88641 1.89438 1.91457 1.92965 1.93199 1.94576 1.96481 1.97133 1.98899 1.99308 2.00904 2.01145 2.01449 2.02265 2.02653 2.02890 2.04926 2.05467 2.05716 2.06457 2.06928 2.07615 2.09785 2.10391 2.12894 2.14211 2.14742 2.16880 2.18472 2.19923 2.20685 2.21739 2.23292 2.23752 2.24772 2.24886 2.25679 2.27703 2.29634 2.30990 2.31301 2.33262 2.33986 2.35578 2.36144 2.36977 2.37297 2.38454 2.39146 2.39862 2.40353 2.42379 2.42511 2.44601 2.45522 2.47515 2.49403 2.50455 2.52384 2.57188 2.59035 2.59430 2.62657 2.63160 2.64830 2.66133 2.67572 2.68386 2.70031 2.70980 2.73222 2.73621 2.74738 2.77515 2.78894 2.79817 2.79925 2.80275 2.80669 2.80849 2.83635 2.85058 2.86930 2.88506 2.90104 2.92895 2.94127 2.94806 2.95342 2.96251 2.97521 2.99357 3.04634 3.07357 3.08257 3.08686 3.12870 3.14276 3.16417 3.19330 3.20000 3.26180 3.28650 3.30675 3.32097 3.36577 3.39441 3.42600 3.55635 3.62430 3.73336 3.74656 3.75261 3.77750 -19.29404 -19.22886 -14.54873 -14.53058 -14.50803 -10.41329 -10.37031 -10.36925 -10.35794 -10.35016 -10.33182 -10.32821 -10.32818 -10.32662 -10.32414 -10.32241 -10.32216 -10.32098 -10.31918 -10.31195 -10.30858 -6.84739 -1.21357 -1.19176 -1.09404 -1.05369 -0.98451 -0.96805 -0.89357 -0.88413 -0.87818 -0.86432 -0.85673 -0.80922 -0.78275 -0.75852 -0.74721 -0.71571 -0.71143 -0.69509 -0.65809 -0.64620 -0.63737 -0.63012 -0.59872 -0.59246 -0.58782 -0.57379 -0.56978 -0.56279 -0.55348 -0.55038 -0.54777 -0.53807 -0.52695 -0.52309 -0.50368 -0.49396 -0.48667 -0.47809 -0.47404 -0.46634 -0.46244 -0.45862 -0.45338 -0.44865 -0.43895 -0.43493 -0.41215 -0.39658 -0.37688 -0.36035 -0.35874 -0.35243 -0.35063 -0.34122 -0.31782 -0.01564 0.00979 0.03153 0.04071 0.05852 0.08716 0.12535 0.13300 0.14919 0.15239 0.16209 0.16969 0.17824 0.18351 0.18985 0.19122 0.19994 0.20726 0.20926 0.21438 0.21874 0.22432 0.22843 0.23169 0.23635 0.24714 0.25441 0.25591 0.25851 0.29691 0.30014 0.30659 0.31648 0.33121 0.33480 0.34225 0.34957 0.35551 0.35859 0.36417 0.37017 0.38486 0.38765 0.39983 0.40138 0.41164 0.41831 0.42222 0.43607 0.45558 0.47775 0.48158 0.48630 0.49206 0.50060 0.50528 0.51785 0.52017 0.52951 0.53584 0.53949 0.54476 0.55431 0.55586 0.55987 0.56919 0.57472 0.57829 0.58426 0.58689 0.60357 0.60904 0.62442 0.62800 0.63042 0.63353 0.63932 0.64820 0.66287 0.67513 0.67824 0.68937 0.69354 0.70825 0.71463 0.71675 0.72130 0.72727 0.73043 0.73956 0.74058 0.74167 0.74585 0.75502 0.76074 0.76234 0.76708 0.77300 0.78042 0.78315 0.78691 0.78837 0.79509 0.79871 0.81130 0.81623 0.82164 0.82757 0.83658 0.84952 0.86050 0.86838 0.87623 0.88245 0.88907 0.89494 0.91343 0.91654 0.92383 0.93636 0.93938 0.96043 0.97552 0.99909 1.00299 1.01156 1.03701 1.03923 1.07117 1.09319 1.09787 1.10786 1.12583 1.13023 1.14248 1.15705 1.16807 1.17612 1.19333 1.19904 1.21531 1.22770 1.24913 1.26456 1.26815 1.27891 1.28759 1.29722 1.30415 1.30767 1.31896 1.32210 1.33345 1.34941 1.35641 1.36216 1.36907 1.37516 1.37931 1.39314 1.40418 1.43011 1.44157 1.45716 1.48061 1.50031 1.51462 1.53089 1.54636 1.57525 1.58310 1.59950 1.61648 1.63879 1.64447 1.66468 1.68038 1.73262 1.73849 1.74452 1.75089 1.75909 1.76534 1.76960 1.77520 1.78307 1.79586 1.80398 1.80819 1.81397 1.81837 1.82471 1.82617 1.83012 1.83947 1.84990 1.85496 1.85943 1.86285 1.87005 1.87457 1.87987 1.88839 1.89529 1.91981 1.93035 1.93650 1.94691 1.96849 1.97241 1.99026 1.99411 2.01071 2.01259 2.01524 2.02459 2.02762 2.03321 2.04991 2.05553 2.06011 2.06873 2.07178 2.07802 2.10092 2.10544 2.13049 2.14257 2.15008 2.17020 2.18546 2.20015 2.21081 2.21778 2.23358 2.23950 2.24849 2.25019 2.25691 2.27886 2.29813 2.31174 2.31754 2.33578 2.34412 2.35686 2.36342 2.37129 2.37383 2.38700 2.39285 2.40041 2.40464 2.42473 2.42783 2.44989 2.45939 2.47693 2.49521 2.50616 2.52576 2.57409 2.59285 2.59676 2.63088 2.63654 2.65096 2.66258 2.67697 2.68478 2.70253 2.71100 2.73719 2.73944 2.74774 2.77641 2.79228 2.79847 2.80185 2.80531 2.80803 2.81006 2.83874 2.85752 2.87071 2.88663 2.90186 2.93630 2.94218 2.95056 2.95683 2.96595 2.97706 2.99510 3.04668 3.07650 3.08414 3.08798 3.12933 3.14368 3.16753 3.19364 3.20900 3.26253 3.28720 3.30896 3.32430 3.36740 3.39705 3.42871 3.55773 3.62649 3.73413 3.74714 3.75385 3.77937 2-A. 1.94888291e+00 1.67365092e+00 6.00631635e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.9536 4.2540 1.5267 6.7056 -129.8982 -122.2766 -130.5725 -15.7379 2.2705 1.8062 -2.3158 5.3058 -2.9900 -15.7379 2.2705 1.8062 179.4698 32.5310 15.3104 -4.0423 68.8046 19.0342 -2.7694 0.9942 7.4297 17.1804 -9034.8626 -1960.2701 -570.4907 -694.2872 100.9734 -9.7690 11.6443 -27.8684 6.6088 -1818.5496 -1518.7123 -474.9524 87.1323 -23.7989 -3.1006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -958.4106006 0.805451 0. 0.751014 7.254E-9 1.398E-6 -1.6693022,4.0165792,-2.3472769,-11.6032491,2.3435316,0.9751611 C01 [X(C16H17B1N3O2)] 1.9436968 1.7098611 0.5083582 -0.000000600 -0.000000309 0.000001064 0.000000278 -0.000000890 -0.000000113 0.000000203 0.000000871 -0.000000804 0.000000063 -0.000001058 -0.000000843 -0.000000012 -0.000000110 -0.000000796 -0.000000076 0.000000344 -0.000000997 0.000000730 -0.000000544 -0.000000153 -0.000000363 -0.000000357 -0.000001119 -0.000000360 0.000000027 -0.000001319 -0.000000274 0.000000284 -0.000000862 -0.000001396 -0.000001821 -0.000002555 -0.000001508 0.000002748 -0.000001140 0.000000016 -0.000000974 -0.000001814 -0.000000291 0.000000178 0.000000959 0.000000169 0.000001288 -0.000000596 -0.000000071 -0.000000310 0.000000677 -0.000000119 0.000000864 -0.000000099 0.000000042 0.000000660 -0.000000321 0.000000194 0.000000481 0.000000409 0.000000218 -0.000000119 0.000000508 0.000000219 0.000000738 0.000000205 -0.000000027 0.000001178 -0.000000304 0.000000212 0.000000268 0.000000614 0.000000083 0.000000953 0.000000171 0.000006632 0.000002575 0.000002085 -0.000000687 -0.000000895 0.000001057 0.000000385 -0.000000912 0.000002206 0.000003622 -0.000000126 0.000000076 -0.000000456 -0.000000052 -0.000000446 -0.000004485 0.000001233 0.000002091 0.000000263 -0.000000288 0.000001517 0.000001597 -0.000004260 -0.000003445 -0.000001821 0.000000891 0.000004945 -0.000000624 0.000000146 0.000000737 -0.000000866 -0.000000652 -0.000001776 0.000000636 0.000000626 0.000000565 -0.000000178 -0.000000184 -0.000001471 -0.000000681 -0.000001477 0.000000482 -0.000000668 -0.000001015 0.000000605 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0506,1.0816,-.309;-.244,.7534,-.7256;-1.2472,1.713,-.8467;-.8928,3.0308,-.579;.4195,3.3704,-.2063;1.4148,2.4101,-.061;-2.2601,1.4254,-1.1271;-1.6449,3.817,-.6634;.6661,4.4177,-.021;2.4298,2.686,.2218;-.2546,-.6222,-.9404;.9374,-1.1435,-.6609;1.7271,-.1195,-.2718;3.0791,-.3766,.0455;3.711,.3383,1.0668;3.7714,-1.3667,-.6586;5.0485,.0806,1.3589;3.1532,1.0711,1.6512;5.1019,-1.6246,-.3448;3.2544,-1.9247,-1.4396;5.7485,-.8982,.6559;5.5402,.6404,2.1571;5.6412,-2.3983,-.8949;6.7947,-1.1009,.8924;-1.4358,-1.451,-1.2337;-2.3432,-.8387,-1.7388;-1.2056,-2.5976,-1.5173;-2.0351,-1.6257,.7732;-1.8774,-.5841,1.0661;-3.3268,-2.0675,.6275;-3.5608,-3.1268,.5041;-4.4838,-1.1731,.4999;-4.1402,.1318,.5067;-5.6295,-1.5432,.3984;-5.2066,1.0545,.4043;-5.9096,.9414,1.2428;-4.7537,2.0529,.4274;-5.7635,.9122,-.5336;-1.2414,-2.3346,1.0241; Gaussian 16 GINC-NODO02 NSF coments ES64L-G16RevC.02 111 C1[X(C16H17BN3O2)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0506,1.0816,-.309;-.244,.7534,-.7256;-1.2472,1.713,-.8467;-.8928,3.0308,-.579;.4195,3.3704,-.2063;1.4148,2.4101,-.061;-2.2601,1.4254,-1.1271;-1.6449,3.8171,-.6634;.6661,4.4177,-.021;2.4298,2.686,.2218;-.2546,-.6222,-.9404;.9374,-1.1435,-.6609;1.7271,-.1195,-.2718;3.0791,-.3766,.0455;3.711,.3383,1.0668;3.7714,-1.3667,-.6586;5.0485,.0806,1.3589;3.1532,1.0711,1.6512;5.1019,-1.6246,-.3448;3.2544,-1.9247,-1.4396;5.7485,-.8982,.6559;5.5402,.6404,2.1571;5.6412,-2.3983,-.8949;6.7947,-1.1009,.8924;-1.4359,-1.451,-1.2337;-2.3432,-.8387,-1.7388;-1.2056,-2.5976,-1.5173;-2.0351,-1.6257,.7732;-1.8774,-.5841,1.0661;-3.3268,-2.0675,.6275;-3.5608,-3.1268,.5041;-4.4838,-1.1731,.4999;-4.1402,.1318,.5067;-5.6295,-1.5432,.3984;-5.2066,1.0545,.4043;-5.9096,.9414,1.2428;-4.7537,2.0529,.4274;-5.7635,.9122,-.5336;-1.2414,-2.3346,1.0241; coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 12 12 12 12 12 12 1 1 1 1 14 14 14 12 12 12 12 1 12 1 12 1 1 1 11 1 1 12 1 12 1 12 16 16 12 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 2 2 2 0 0 0 0 1 0 1 0 1 1 1 3 1 1 0 1 0 1 0 0 0 0 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "38_COOMe_TS.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 1 1 2 2 3 3 4 4 5 5 6 11 11 12 13 14 14 15 15 16 16 17 17 19 19 21 25 25 25 28 28 28 30 30 32 32 33 35 35 35 2 6 13 3 11 4 7 5 8 6 9 10 12 25 13 14 15 16 17 18 19 20 21 22 21 23 24 26 27 28 29 30 39 31 32 33 34 35 36 37 38 1.3991 1.3996 1.379 1.3936 1.3924 1.3906 1.0896 1.4058 1.0914 1.3906 1.0918 1.0892 1.3307 1.4724 1.3505 1.4124 1.3977 1.3983 1.3931 1.0907 1.3911 1.0902 1.3937 1.0919 1.3954 1.0919 1.0916 1.2055 1.2035 2.1017 1.0934 1.3729 1.0934 1.0919 1.4679 1.3494 1.2082 1.4139 1.1001 1.0965 1.1001 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 2 2 12 11 1 1 12 13 13 15 14 14 17 14 14 19 15 15 21 16 16 21 17 17 19 11 11 11 26 26 27 25 25 25 29 29 30 28 28 31 30 30 33 32 33 33 33 36 36 37 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 11 11 11 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 19 19 19 21 21 21 25 25 25 25 25 25 28 28 28 28 28 28 30 30 30 32 32 32 33 35 35 35 35 35 35 6 13 13 3 11 11 4 7 7 5 8 8 6 9 9 5 10 10 12 25 25 13 12 14 14 15 16 16 17 18 18 19 20 20 21 22 22 21 23 23 19 24 24 26 27 28 27 28 28 29 30 39 30 39 39 31 32 32 33 34 34 35 36 37 38 37 38 38 121.0786 104.93 133.9703 122.0381 106.5458 131.4116 116.8925 120.6482 122.4551 121.189 119.4819 119.3286 121.9379 119.1793 118.8824 116.7882 121.9343 121.2742 110.3529 126.3631 122.6823 106.6955 111.4597 129.3643 119.1067 120.2519 119.3229 120.418 119.5165 120.2637 120.1941 119.4162 119.232 121.351 120.4223 119.3913 120.1771 120.5654 119.349 120.084 119.6422 120.165 120.1909 113.6673 115.4488 94.8964 121.9477 103.1619 101.5616 97.7819 101.1643 93.7837 118.0803 116.8402 119.9124 121.7265 123.6905 114.3537 112.8328 124.6152 122.5519 116.0207 111.0815 106.3289 111.0472 109.9721 108.2421 110.1727 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 6 6 13 13 2 2 13 13 2 2 6 6 1 1 11 11 1 1 3 3 2 2 7 7 3 3 8 8 4 4 9 9 2 25 2 2 2 12 12 12 11 11 1 1 12 12 13 13 16 16 13 13 15 15 14 14 18 18 14 14 20 20 15 15 22 22 16 16 23 23 11 11 11 26 26 26 27 27 27 25 25 29 29 39 39 28 28 31 31 30 34 32 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 11 11 11 11 11 11 11 11 12 12 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 25 25 25 25 25 25 25 25 25 28 28 28 28 28 28 30 30 30 30 32 32 33 33 33 2 2 2 2 6 6 6 6 13 13 13 13 3 3 3 3 11 11 11 11 4 4 4 4 5 5 5 5 6 6 6 6 12 12 25 25 25 25 25 25 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 21 21 21 21 21 21 21 21 28 28 28 28 28 28 28 28 28 30 30 30 30 30 30 32 32 32 32 33 33 35 35 35 3 11 3 11 5 10 5 10 12 14 12 14 4 7 4 7 12 25 12 25 5 8 5 8 6 9 6 9 1 10 1 10 13 13 26 27 28 26 27 28 1 14 15 16 15 16 17 18 17 18 19 20 19 20 21 22 21 22 21 23 21 23 19 24 19 24 17 24 17 24 29 30 39 29 30 39 29 30 39 31 32 31 32 31 32 33 34 33 34 35 35 36 37 38 -3.3998 177.2922 178.05 -1.2581 2.0563 -177.2854 -179.8902 0.7681 1.1529 178.0484 -177.1218 -0.2263 2.2223 -177.0491 -178.6622 2.0665 0.9903 172.2296 -178.2276 -6.9883 0.0987 179.8437 179.3558 -0.8992 -1.3366 178.9204 178.918 -0.825 0.2402 179.5866 179.984 -0.6696 -0.2822 -171.9032 24.8216 172.8588 -81.8611 -164.9465 -16.9092 88.3708 -0.5631 -177.8163 38.3798 -142.5884 -144.9273 34.1045 -179.4244 2.414 1.5545 -176.6071 -179.7932 -0.1103 -0.763 178.9198 -1.1158 179.9913 177.0472 -1.8457 -0.4763 179.9708 179.8478 0.2949 -0.1067 -179.6192 178.7775 -0.735 0.9111 -179.5766 -179.5393 -0.0269 43.4418 164.1869 -74.3159 -72.267 48.478 169.9753 160.6829 -78.572 42.9252 85.3273 -88.8576 -169.5007 16.3145 -15.6923 170.1229 1.5954 -178.4145 -172.9765 7.0137 -179.2308 0.7788 60.2406 179.8699 -60.2775 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.07047 0.00128 0.00267 0.00534 0.00629 0.00682 0.00832 0.01058 0.01416 0.01438 0.01741 0.01761 0.01804 0.01842 0.01863 0.01927 0.01990 0.02018 0.02114 0.02385 0.02499 0.02519 0.02574 0.02765 0.02857 0.02982 0.03003 0.03037 0.03067 0.03115 0.03210 0.03579 0.03925 0.04258 0.05249 0.05950 0.06610 0.06879 0.07232 0.08121 0.08238 0.08470 0.10948 0.11005 0.11151 0.11226 0.11397 0.11742 0.11993 0.12231 0.12237 0.12525 0.13222 0.15079 0.15848 0.17623 0.18441 0.18714 0.18968 0.19191 0.19296 0.19328 0.19433 0.19722 0.20842 0.21246 0.23168 0.23767 0.24352 0.24500 0.25692 0.26618 0.27685 0.28231 0.29927 0.32172 0.33576 0.34413 0.34465 0.35361 0.36015 0.36280 0.36466 0.36501 0.36513 0.36676 0.36686 0.36831 0.36874 0.37035 0.37060 0.37288 0.38597 0.39971 0.40027 0.41168 0.42028 0.42490 0.43612 0.45459 0.45530 0.47532 0.48046 0.49324 0.49576 0.49736 0.50263 0.51676 0.53308 0.54180 0.90629 R30 R14 R32 R13 D83 1 -0.73538 0.19721 0.19451 -0.18379 0.17534 D84 D38 D82 D85 D35 Angle between quadratic step and forces= 75.73 degrees. 1 2 0.00081300 0.00000025 0.00000014 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 2.64384 2.64486 2.60591 2.63343 2.63117 2.62791 2.05907 2.65654 2.06235 2.62793 2.06318 2.05825 2.51466 2.78252 2.55200 2.66900 2.64120 2.64233 2.63251 2.06113 2.62881 2.06016 2.63363 2.06335 2.63683 2.06334 2.06281 2.27806 2.27422 3.97170 2.06620 2.59449 2.06629 2.06331 2.77398 2.54999 2.28323 2.67192 2.07884 2.07217 2.07885 2.11322 1.83137 2.33822 2.12997 1.85957 2.29356 2.04016 2.10571 2.13724 2.11515 2.08535 2.08268 2.12822 2.08007 2.07489 2.03834 2.12815 2.11663 1.92602 2.20545 2.14121 1.86219 1.94534 2.25783 2.07880 2.09879 2.08258 2.10169 2.08596 2.09900 2.09778 2.08421 2.08099 2.11797 2.10177 2.08377 2.09749 2.10426 2.08303 2.09586 2.08815 2.09728 2.09773 1.98387 2.01496 1.65625 2.12839 1.80052 1.77258 1.70662 1.76565 1.63684 2.06089 2.03925 2.09287 2.12453 2.15881 1.99585 1.96930 2.17495 2.13893 2.02494 1.93874 1.85579 1.93814 1.91937 1.88918 1.92288 -0.05934 3.09433 3.10756 -0.02196 0.03589 -3.09421 -3.13968 0.01341 0.02012 3.10753 -3.09136 -0.00395 0.03879 -3.09009 -3.11824 0.03607 0.01728 3.00597 -3.11066 -0.12197 0.00172 3.13886 3.13035 -0.01569 -0.02333 3.12275 3.12271 -0.01440 0.00419 3.13438 3.14131 -0.01169 -0.00493 -3.00028 0.43322 3.01696 -1.42875 -2.87886 -0.29512 1.54236 -0.00983 -3.10348 0.66985 -2.48864 -2.52946 0.59524 -3.13155 0.04213 0.02713 -3.08238 -3.13798 -0.00193 -0.01332 3.12274 -0.01947 3.14144 3.09006 -0.03221 -0.00831 3.14108 3.13894 0.00515 -0.00186 -3.13495 3.12026 -0.01283 0.01590 -3.13420 -3.13355 -0.00047 0.75820 2.86560 -1.29706 -1.26130 0.84610 2.96663 2.80445 -1.37134 0.74919 1.48924 -1.55086 -2.95834 0.28474 -0.27388 2.96920 0.02785 -3.11392 -3.01901 0.12241 -3.12817 0.01359 1.05140 3.13932 -1.05204 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 -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 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 -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 0.00002 -0.00002 0.00007 0.00004 -0.00016 0.00004 -0.00011 0.00008 0.00004 0.00001 0.00003 -0.00004 -0.00002 0.00004 -0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00000 0.00002 0.00002 -0.00000 -0.00000 -0.00000 0.00009 0.00001 0.00011 0.00001 0.00001 0.00001 0.00000 0.00001 0.00004 0.00001 0.00005 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00005 0.00006 0.00013 0.00020 0.00010 0.00017 0.00024 0.00001 -0.00008 -0.00017 -0.00018 -0.00007 -0.00008 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00059 0.00059 0.00057 0.00058 0.00058 0.00056 0.00059 0.00059 0.00057 0.00011 0.00011 0.00003 0.00003 0.00003 0.00003 -0.00012 -0.00011 -0.00013 -0.00011 -0.00006 -0.00008 0.00081 0.00078 0.00080 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 -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 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 -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 0.00002 -0.00002 0.00007 0.00004 -0.00016 0.00004 -0.00011 0.00008 0.00004 0.00001 0.00003 -0.00004 -0.00002 0.00004 -0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00000 0.00002 0.00002 -0.00000 -0.00000 -0.00000 0.00009 0.00001 0.00011 0.00001 0.00001 0.00001 0.00000 0.00001 0.00004 0.00001 0.00005 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00005 0.00006 0.00013 0.00020 0.00010 0.00017 0.00024 0.00001 -0.00008 -0.00017 -0.00018 -0.00007 -0.00008 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00059 0.00059 0.00057 0.00058 0.00058 0.00056 0.00059 0.00059 0.00057 0.00011 0.00011 0.00003 0.00003 0.00003 0.00003 -0.00012 -0.00011 -0.00013 -0.00011 -0.00006 -0.00008 0.00081 0.00078 0.00080 2.64384 2.64486 2.60591 2.63343 2.63116 2.62791 2.05907 2.65654 2.06235 2.62793 2.06318 2.05825 2.51466 2.78250 2.55199 2.66900 2.64120 2.64233 2.63251 2.06113 2.62881 2.06016 2.63362 2.06335 2.63683 2.06334 2.06281 2.27806 2.27422 3.97172 2.06620 2.59449 2.06629 2.06331 2.77397 2.54999 2.28324 2.67192 2.07884 2.07217 2.07884 2.11322 1.83137 2.33823 2.12997 1.85958 2.29356 2.04016 2.10571 2.13725 2.11515 2.08535 2.08268 2.12822 2.08007 2.07489 2.03834 2.12816 2.11663 1.92602 2.20547 2.14120 1.86219 1.94534 2.25784 2.07880 2.09880 2.08257 2.10169 2.08596 2.09900 2.09778 2.08421 2.08099 2.11797 2.10177 2.08377 2.09749 2.10427 2.08303 2.09586 2.08815 2.09728 2.09773 1.98389 2.01494 1.65632 2.12843 1.80036 1.77262 1.70650 1.76573 1.63687 2.06090 2.03927 2.09282 2.12451 2.15884 1.99583 1.96932 2.17493 2.13893 2.02493 1.93873 1.85580 1.93815 1.91935 1.88919 1.92289 -0.05936 3.09431 3.10755 -0.02196 0.03590 -3.09420 -3.13968 0.01340 0.02012 3.10762 -3.09134 -0.00384 0.03880 -3.09008 -3.11824 0.03607 0.01729 3.00602 -3.11065 -0.12192 0.00173 3.13887 3.13036 -0.01569 -0.02334 3.12274 3.12270 -0.01441 0.00419 3.13438 3.14131 -0.01169 -0.00493 -3.00032 0.43328 3.01708 -1.42855 -2.87875 -0.29495 1.54260 -0.00982 -3.10356 0.66968 -2.48882 -2.52953 0.59516 -3.13155 0.04213 0.02713 -3.08237 -3.13798 -0.00192 -0.01332 3.12274 -0.01947 3.14144 3.09005 -0.03222 -0.00831 3.14108 3.13894 0.00515 -0.00187 -3.13495 3.12025 -0.01283 0.01590 -3.13420 -3.13355 -0.00047 0.75879 2.86619 -1.29649 -1.26072 0.84668 2.96719 2.80503 -1.37075 0.74976 1.48935 -1.55075 -2.95831 0.28477 -0.27385 2.96923 0.02772 -3.11403 -3.01914 0.12230 -3.12823 0.01351 1.05220 3.14010 -1.05124 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.003695 0.000813 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -6.666713e-09 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 415 A 393 A 393 669 415 78 77 1668.7006896388 39 39 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0286831456 0.000000 1.399059 0.000000 2.442924 1.393552 0.000000 2.765668 2.372538 1.390628 0.000000 2.376376 2.749254 2.436150 1.405782 0.000000 1.399601 2.436775 2.861733 2.445080 1.390639 0.000000 3.427571 2.162714 1.089613 2.178849 3.436713 3.951064 0.000000 3.856690 3.369333 2.149122 1.091351 2.161071 3.421144 2.512692 0.000000 3.370453 3.840782 3.414333 2.159814 1.091786 2.143029 4.328950 2.472678 0.000000 2.181253 3.432446 3.950786 3.435024 2.166289 1.089180 5.040191 4.320397 2.483568 0.000000 2.237299 1.392353 2.539198 3.725934 4.115122 3.571444 2.872198 4.660158 5.205163 4.416022 0.000000 2.255648 2.235672 3.600967 4.558638 4.566183 3.635356 4.128016 5.592468 5.604453 4.203772 1.330701 0.000000 1.378987 2.202972 3.540493 4.108790 3.727321 2.557435 4.360700 5.198069 4.666270 2.933948 2.151055 1.350459 0.000000 2.523287 3.593713 4.886710 5.270331 4.601832 3.247611 5.755814 6.356566 5.367703 3.135671 3.485141 2.382047 1.412372 0.000000 3.085956 4.362042 5.489598 5.581516 4.652814 3.291965 6.453615 6.616769 5.205429 2.804931 4.547278 3.587969 2.436654 1.397661 0.000000 3.676817 4.541189 5.891201 6.410801 5.820590 4.491615 6.662847 7.497156 6.596068 4.358841 4.103908 2.842736 2.425744 1.398261 2.426422 0.000000 4.446018 5.727893 6.867742 6.910715 5.890693 4.543840 7.836094 7.927972 6.318214 3.865096 5.822722 4.741236 3.705537 2.410933 1.393066 2.792135 0.000000 2.874614 4.158314 5.100560 5.018414 4.026222 2.783281 6.094964 5.993328 4.492410 2.274768 4.604052 3.893597 2.673784 2.163252 1.090704 3.414661 2.158379 0.000000 4.872089 5.863263 7.190421 7.593593 6.847837 5.472961 8.007015 8.673612 7.502621 5.103151 5.481889 4.204044 3.695893 2.408531 2.789201 1.391109 2.410983 3.879098 0.000000 3.895199 4.463219 5.817959 6.518889 6.131448 4.906578 6.459856 7.587674 6.995472 4.969755 3.776039 2.566122 2.637247 2.152322 3.407529 1.090190 3.882183 4.305518 2.168359 0.000000 5.188531 6.367611 7.616855 7.814636 6.882041 5.499074 8.527341 8.867742 7.385643 4.903998 6.217847 4.994064 4.199844 2.787499 2.418489 2.419991 1.393654 3.406487 1.395350 3.415414 0.000000 5.141240 6.463719 7.499480 7.388040 6.265780 5.007051 8.499780 8.346974 6.539781 4.195789 6.690914 5.684080 4.584359 3.398515 2.150769 3.883949 1.091875 2.477680 3.403132 4.973947 2.159699 0.000000 5.790209 6.678116 8.022186 8.501020 7.811371 6.455873 8.780920 9.579739 8.483663 6.116407 6.157671 4.873902 4.571815 3.396408 3.881056 2.148558 3.402304 4.970814 1.091875 2.493562 2.160234 4.307930 0.000000 6.261101 7.456533 8.695710 8.850614 7.864027 6.494585 9.615081 9.891116 8.297537 5.817505 7.299392 6.059904 5.291428 3.879088 3.407461 3.408340 2.159336 4.307387 2.161137 4.318616 1.091592 2.491058 2.491618 0.000000 3.667637 2.556917 3.193133 4.561765 5.267154 4.940532 2.993996 5.302917 6.350551 5.846024 1.472445 2.460673 3.564038 4.814101 5.914704 5.239545 7.149421 5.978538 6.600136 4.718591 7.449210 8.033422 7.148199 8.507914 0.000000 4.153312 2.822750 2.916910 4.292092 5.262822 5.243286 2.346745 4.829119 6.295731 6.248908 2.246418 3.466558 4.385960 5.727018 6.775692 6.231633 8.067104 6.734244 7.615077 5.709781 8.438795 8.917004 8.178919 9.512771 1.205496 0.000000 4.481906 3.575028 4.362700 5.714673 6.322700 5.836466 4.177171 6.486168 7.413267 6.645098 2.267008 2.727696 4.036506 5.072888 6.282531 5.198330 7.386446 6.519080 6.488879 4.511135 7.481317 8.336148 6.877909 8.488315 1.203464 2.106391 0.000000 4.245270 3.333884 3.793654 4.981589 5.651992 5.374461 3.601483 5.642639 6.667020 6.231361 2.667147 3.335406 4.185093 5.314646 6.079569 5.986008 7.309752 5.912898 7.224000 5.741493 7.818410 8.027145 7.893375 8.846191 2.101736 2.650349 2.622879 0.000000 3.638477 2.768953 3.054907 4.091842 4.746831 4.590597 2.999041 4.734460 5.715640 5.473390 2.580850 3.349363 3.872733 5.064772 5.664011 5.957786 6.963913 5.328166 7.196026 5.866037 7.643371 7.596716 7.979085 8.689213 2.497016 2.854609 3.343568 1.093384 0.000000 5.473190 4.392293 4.559624 5.776921 6.655857 6.557842 4.051723 6.254839 7.643369 7.476547 3.739719 4.549405 5.490505 6.650885 7.450625 7.247704 8.677327 7.272552 8.496114 6.899665 9.150379 9.396598 9.102331 10.171018 2.723910 2.841907 3.062808 1.372944 2.119829 0.000000 6.295830 5.250692 5.531850 6.797637 7.652520 7.465461 5.007491 7.297329 8.663817 8.352008 4.392101 5.052189 6.132573 7.201622 8.074852 7.629605 9.227116 8.001075 8.832862 7.188201 9.573578 9.987630 9.336239 10.558983 3.216171 3.427576 3.148531 2.157251 3.100844 1.091856 0.000000 6.030604 4.815570 4.540794 5.633186 6.721952 6.924404 3.787392 5.857866 7.619045 7.922628 4.501589 5.544180 6.346756 7.618362 8.352303 8.338323 9.652746 8.042804 9.633400 8.012886 10.237198 10.320638 10.293812 11.285576 3.517481 3.115428 4.104306 2.505127 2.731468 1.467924 2.160743 0.000000 5.339675 4.133465 3.563888 4.486530 5.638066 6.030816 2.806667 4.601828 6.461253 7.054779 4.214318 5.363916 5.924054 7.251912 7.873890 8.136101 9.228323 7.442230 9.445915 7.918129 9.943324 9.833238 10.200073 11.010930 3.584319 3.035311 4.489782 2.755193 2.438385 2.347968 3.309691 1.349396 0.000000 7.212064 5.961664 5.599771 6.656826 7.816588 8.090803 4.742604 6.762876 8.679981 9.103248 5.615150 6.663767 7.523008 8.793514 9.551533 9.461731 10.843417 9.248815 10.757353 9.080029 11.399167 11.516193 11.376829 12.441874 4.500969 3.982894 4.934842 3.614818 3.929877 2.372692 2.607365 1.208236 2.243927 0.000000 6.297795 5.098524 4.204195 4.845792 6.114647 6.774703 3.341345 4.632177 6.780852 7.810834 5.398341 6.611715 7.064810 8.416085 8.970833 9.359266 10.345413 8.452341 10.677211 9.157715 11.130622 10.896656 11.457949 12.203093 4.814459 4.046768 5.747960 4.168687 3.769172 3.651088 4.494683 2.343936 1.413918 2.631937 0.000000 7.132517 6.000811 5.167163 5.731814 6.932381 7.583136 4.378339 5.485517 7.544657 8.580900 6.260256 7.406265 7.857428 9.163459 9.641147 10.132339 10.992544 9.073010 11.417417 9.969391 11.816972 11.490210 12.212496 12.872220 5.645447 4.977771 6.501621 4.671428 4.314785 4.012851 4.755302 2.656314 2.080451 2.639076 1.100074 0.000000 5.930887 4.832751 3.746206 4.108016 5.375786 6.198058 3.004695 3.737171 5.930177 7.214220 5.410079 6.617387 6.870842 8.209840 8.660249 9.249286 10.041961 8.061088 10.547580 9.134310 10.911328 10.533311 11.384856 11.980315 5.103350 4.343302 6.164277 4.587167 3.954069 4.365045 5.315846 3.238109 2.018261 3.701327 1.096543 1.799058 0.000000 6.819962 5.525169 4.597432 5.311767 6.661797 7.348144 3.590216 5.041620 7.341050 8.417085 5.733097 7.010342 7.565886 8.954860 9.625909 9.804256 11.007915 9.181931 11.159199 9.496927 11.714083 11.622740 11.880995 12.798274 4.980323 4.027033 5.836236 4.695747 4.460958 4.020511 4.716206 2.656061 2.080036 2.629778 1.100078 1.782688 1.801264 0.000000 4.324472 3.686783 4.459082 5.610644 6.067900 5.544788 4.450057 6.391690 7.093947 6.271189 2.786628 3.000809 3.924046 4.843391 5.627808 5.375476 6.745991 5.595068 6.527971 5.142916 7.145422 7.491576 7.145371 8.131278 2.432323 3.329439 2.555248 1.093432 1.862972 2.139582 2.505582 3.483871 3.841116 4.502618 5.252970 5.707269 5.651801 5.780893 0.000000 C16H17BN3O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0535,1.0976,-.2454;-.2426,.7966,-.6777;-1.2435,1.764,-.7427;-.8852,3.0637,-.4018;.4285,3.3785,-.0128;1.4215,2.4091,.0765;-2.2575,1.4951,-1.0372;-1.6355,3.8553,-.4404;.678,4.4131,.2309;2.4376,2.6661,.3727;-.2571,-.5647,-.9696;.934,-1.1039,-.7219;1.727,-.1053,-.2771;3.0789,-.3833,.0228;3.7142,.2713,1.0818;3.7674,-1.3339,-.7371;5.0515,-.0058,1.3566;3.1592,.9714,1.7075;5.0977,-1.6123,-.4406;3.2478,-1.8456,-1.5474;5.7478,-.9451,.5983;5.5458,.5069,2.1842;5.6342,-2.3551,-1.0344;6.7938,-1.1635,.8213;-1.4409,-1.3726,-1.3071;-2.3474,-.7307,-1.7754;-1.214,-2.5021,-1.6554;-2.0375,-1.6587,.6878;-1.8766,-.6357,1.0385;-3.3305,-2.0884,.5195;-3.5675,-3.1385,.337;-4.4854,-1.1854,.4446;-4.1384,.1162,.5243;-5.6322,-1.5463,.3243;-5.2026,1.0459,.4759;-5.9046,.8874,1.3079;-4.7471,2.0402,.5545;-5.7614,.9581,-.4676;-1.2451,-2.3827,.8969; 0.5788415 0.1423685 0.1224617 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= 408 408 408 408 408 MxSgAt= 39 MxSgA2= 39. 1 open 1 1 1 -958.410600557772 -958.410600558 1 0.8055 9.486742004249e+02 -5.562082606436e+03 1.986325798961e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572509232 LenY= 1572336566 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. 0.8055 Using compressed storage, NAtomX= 39. Will process 40 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11861 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 117 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 4.89D-14 1.00D-09 XBig12= 5.71D+02 1.70D+01. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 4.89D-14 1.00D-09 XBig12= 6.98D+01 1.45D+00. 117 vectors produced by pass 2 Test12= 4.89D-14 1.00D-09 XBig12= 2.80D+00 2.85D-01. 117 vectors produced by pass 3 Test12= 4.89D-14 1.00D-09 XBig12= 6.52D-02 3.33D-02. 117 vectors produced by pass 4 Test12= 4.89D-14 1.00D-09 XBig12= 8.87D-04 3.97D-03. 117 vectors produced by pass 5 Test12= 4.89D-14 1.00D-09 XBig12= 9.16D-06 2.57D-04. 117 vectors produced by pass 6 Test12= 4.89D-14 1.00D-09 XBig12= 9.99D-08 1.84D-05. 77 vectors produced by pass 7 Test12= 4.89D-14 1.00D-09 XBig12= 8.87D-10 1.43D-06. 17 vectors produced by pass 8 Test12= 4.89D-14 1.00D-09 XBig12= 6.32D-12 1.28D-07. 3 vectors produced by pass 9 Test12= 4.89D-14 1.00D-09 XBig12= 5.03D-14 1.26D-08. 1 vectors produced by pass 10 Test12= 4.89D-14 1.00D-09 XBig12= 5.43D-16 1.22D-09. InvSVY: IOpt=1 It= 1 EMax= 5.54D-15 Solved reduced A of dimension 917 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 322.76 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 558.471 94.501 268.374 -15.198 6.609 141.435 385.221 24.672 266.241 5.703 24.772 175.638 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C C C C C H H H H N N N C C C C H C H C H H H B H H C H C H C O O C H H H H 13 13 13 13 13 13 1 1 1 1 14 14 14 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 13 17 17 13 1 1 1 1 -0.01701 0.00604 -0.00545 0.00869 -0.00817 0.01102 0.00025 -0.00070 0.00041 -0.00084 -0.02745 0.13781 0.02980 -0.01069 0.00743 0.00562 -0.00382 -0.00039 -0.00442 -0.00044 0.00522 0.00024 0.00027 -0.00041 0.06047 -0.00381 -0.00401 -0.04968 0.00499 0.06665 -0.00551 -0.02329 -0.00146 0.02927 -0.00064 0.00036 0.00000 0.00033 0.00423 -19.11841 6.78871 -6.13151 9.76706 -9.17929 12.38319 1.12039 -3.11315 1.84354 -3.74379 -8.87077 44.52786 9.62849 -12.01644 8.35225 6.31824 -4.29154 -1.75200 -4.96717 -1.95558 5.86534 1.05315 1.19815 -1.83559 86.73497 -17.04747 -17.93409 -55.85346 22.32577 74.92669 -24.62684 -26.18307 0.88274 -17.74289 -0.72447 1.61495 0.01489 1.47980 18.92333 -6.82192 2.42238 -2.18787 3.48513 -3.27540 4.41863 0.39978 -1.11085 0.65782 -1.33588 -3.16531 15.88865 3.43569 -4.28776 2.98029 2.25451 -1.53133 -0.62516 -1.77241 -0.69780 2.09290 0.37579 0.42753 -0.65498 30.94919 -6.08296 -6.39933 -19.92990 7.96639 26.73571 -8.78747 -9.34277 0.31498 -6.33111 -0.25851 0.57625 0.00531 0.52803 6.75231 -6.37721 2.26447 -2.04525 3.25794 -3.06188 4.13059 0.37372 -1.03843 0.61494 -1.24879 -2.95897 14.85289 3.21172 -4.00825 2.78601 2.10754 -1.43150 -0.58440 -1.65687 -0.65231 1.95647 0.35129 0.39966 -0.61229 28.93167 -5.68643 -5.98217 -18.63071 7.44708 24.99285 -8.21463 -8.73373 0.29445 -5.91839 -0.24166 0.53869 0.00497 0.49361 6.31214 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.015812 -0.011238 0.006907 -0.020445 0.012788 -0.025929 -0.000550 0.000070 0.001381 0.002254 -0.006514 -0.401908 -0.139537 0.014551 -0.005871 -0.008197 0.006842 -0.000517 0.007649 0.004476 -0.009732 0.001148 0.001683 0.002588 -0.026662 0.003975 -0.003408 0.068174 0.009158 -0.195096 -0.024210 0.009529 -0.014410 -0.159607 -0.000599 -0.000032 -0.000164 0.000078 0.003504 0.036849 -0.009347 0.010068 -0.020495 0.014086 -0.026490 0.002801 0.000831 -0.000371 -0.001227 0.002773 -0.469548 -0.149217 -0.004855 0.012360 0.018696 -0.004981 0.000404 -0.005350 -0.002883 0.004764 -0.000528 -0.000906 -0.001266 -0.050424 -0.006983 0.004321 0.050510 -0.008799 -0.195277 0.025668 -0.000588 -0.012558 -0.159838 0.001432 0.001110 0.001195 0.001172 -0.004206 -0.052661 0.020585 -0.016975 0.040940 -0.026874 0.052419 -0.002251 -0.000901 -0.001010 -0.001027 0.003741 0.871456 0.288754 -0.009696 -0.006488 -0.010499 -0.001862 0.000112 -0.002298 -0.001593 0.004968 -0.000620 -0.000777 -0.001322 0.077086 0.003008 -0.000912 -0.118684 -0.000359 0.390372 -0.001458 -0.008940 0.026968 0.319445 -0.000833 -0.001077 -0.001031 -0.001250 0.000702 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.005941 -0.001720 -0.001627 0.002193 -0.002629 0.003704 -0.001813 -0.003499 -0.000488 0.003049 -0.029727 0.072244 0.023081 -0.004748 0.014633 0.007800 -0.005028 0.000454 -0.004547 -0.002881 0.007712 -0.000284 -0.000352 -0.000407 0.006224 -0.003799 0.001486 -0.001585 0.001147 0.011123 0.008944 -0.004165 -0.002620 0.002137 -0.000869 -0.001165 -0.000693 -0.001193 0.008990 0.020207 -0.010772 0.003046 -0.017741 0.011374 -0.019115 -0.000061 -0.000568 0.000522 0.001071 0.076273 -0.376319 -0.107170 0.010294 -0.005186 -0.004522 0.004690 0.000873 0.004490 -0.001202 -0.007287 0.000364 0.000489 0.000653 -0.043742 0.004500 -0.002910 0.042120 -0.001251 -0.103597 -0.003267 -0.001301 -0.011729 -0.029626 -0.000515 -0.000588 -0.000230 0.000339 -0.002219 0.016061 -0.007382 0.004430 -0.013906 0.006878 -0.012472 -0.000478 -0.000885 -0.000097 0.000707 0.046110 -0.263328 -0.070942 0.013625 -0.014527 -0.014683 0.009618 0.002138 0.009613 0.001557 -0.020722 0.000191 0.000039 -0.001100 -0.014024 -0.007102 0.006954 0.033976 -0.002212 -0.079133 0.004612 0.000179 -0.000100 -0.038414 0.000455 0.000794 0.000192 -0.000735 -0.000365 -0.2625 -0.1715 0.9495 0.9573 0.0775 0.2787 -0.1214 0.9821 0.1439 -0.0612 0.0212 0.0399 -8.206 2.847 5.359 -2.928 1.016 1.912 -2.737 0.95 1.788 1 C 13 0.7949 0.5094 0.3296 -0.5431 0.8396 0.0121 -0.2706 -0.1886 0.9441 -0.0168 -0.0083 0.0251 -2.255 -1.119 3.374 -0.805 -0.399 1.204 -0.752 -0.373 1.126 2 C 13 -0.1296 -0.1613 0.9784 0.9506 0.2605 0.1689 -0.2821 0.9519 0.1196 -0.0181 0.007 0.0111 -2.43 0.94 1.49 -0.867 0.335 0.532 -0.811 0.313 0.497 3 C 13 0.824 0.4702 0.3161 -0.5084 0.8599 0.0463 -0.25 -0.1988 0.9476 -0.026 -0.0225 0.0485 -3.489 -3.025 6.513 -1.245 -1.079 2.324 -1.164 -1.009 2.173 4 C 13 -0.2567 -0.1601 0.9532 0.5219 0.8071 0.2761 0.8135 -0.5683 0.1236 -0.0311 0.0147 0.0164 -4.172 1.978 2.194 -1.489 0.706 0.783 -1.392 0.66 0.732 5 C 13 0.9264 -0.3399 0.1622 0.3029 0.9283 0.2155 -0.2238 -0.1505 0.9629 -0.0306 -0.0282 0.0588 -4.111 -3.781 7.892 -1.467 -1.349 2.816 -1.371 -1.261 2.632 6 C 13 0.1929 0.1581 0.9684 0.8975 0.3705 -0.2392 -0.3966 0.9153 -0.0704 -0.0023 -0.0013 0.0036 -1.249 -0.684 1.933 -0.446 -0.244 0.69 -0.417 -0.228 0.645 7 H 1 0.6827 0.6311 0.3684 -0.3129 -0.2031 0.9278 -0.6603 0.7487 -0.0588 -0.0035 -5.0E-4 0.004 -1.852 -0.275 2.127 -0.661 -0.098 0.759 -0.618 -0.092 0.709 8 H 1 -0.2058 -0.0079 0.9786 0.2364 0.97 0.0575 0.9496 -0.2431 0.1978 -0.0011 -5.0E-4 0.0016 -0.597 -0.264 0.862 -0.213 -0.094 0.307 -0.199 -0.088 0.287 9 H 1 -0.4949 0.8679 -0.0426 -0.2228 -0.0793 0.9716 0.8399 0.4903 0.2326 -0.003 -0.0013 0.0043 -1.601 -0.71 2.31 -0.571 -0.253 0.824 -0.534 -0.237 0.771 10 H 1 -0.63 -0.4475 0.6347 -0.4849 0.865 0.1286 0.6066 0.2268 0.762 -0.1045 0.0263 0.0782 -4.029 1.014 3.015 -1.438 0.362 1.076 -1.344 0.338 1.006 11 N 14 -0.0625 0.9836 0.1693 0.9637 0.0154 0.2665 -0.2595 -0.1798 0.9489 -0.5195 -0.5048 1.0243 -20.035 -19.469 39.504 -7.149 -6.947 14.096 -6.683 -6.494 13.177 12 N 14 0.809 -0.5794 0.0996 0.5414 0.8003 0.2578 -0.229 -0.1547 0.961 -0.1693 -0.1565 0.3257 -6.528 -6.034 12.562 -2.329 -2.153 4.482 -2.177 -2.013 4.19 13 N 14 -0.2733 -0.5974 0.7539 -0.2205 0.8018 0.5554 0.9363 0.0144 0.3509 -0.0242 0.0059 0.0183 -3.251 0.79 2.46 -1.16 0.282 0.878 -1.084 0.264 0.821 14 C 13 -0.54 0.5874 0.6028 0.7292 -0.0311 0.6836 0.4203 0.8087 -0.4115 -0.016 -0.0114 0.0274 -2.147 -1.524 3.671 -0.766 -0.544 1.31 -0.716 -0.508 1.225 15 C 13 0.1733 0.3436 0.923 0.9537 -0.2925 -0.0702 0.2459 0.8924 -0.3784 -0.0168 -0.0103 0.0271 -2.256 -1.376 3.633 -0.805 -0.491 1.296 -0.753 -0.459 1.212 16 C 13 0.2964 0.7246 -0.6222 -0.1047 0.6722 0.7329 0.9493 -0.1521 0.2751 -0.0153 0.0063 0.009 -2.053 0.844 1.209 -0.732 0.301 0.431 -0.685 0.282 0.403 17 C 13 -0.2521 -0.6204 0.7426 0.926 -0.3776 -0.0011 0.2812 0.6874 0.6697 -0.002 -7.0E-4 0.0027 -1.051 -0.375 1.426 -0.375 -0.134 0.509 -0.351 -0.125 0.476 18 H 1 0.2674 0.729 -0.6301 -0.118 0.6738 0.7295 0.9563 -0.1207 0.2662 -0.0153 0.0059 0.0095 -2.057 0.786 1.271 -0.734 0.28 0.454 -0.686 0.262 0.424 19 C 13 0.2352 0.8865 -0.3986 0.3303 0.3128 0.8905 0.9141 -0.3411 -0.2193 -0.0043 -0.0015 0.0058 -2.32 -0.796 3.116 -0.828 -0.284 1.112 -0.774 -0.266 1.039 20 H 1 -0.0943 0.7225 0.6849 0.959 -0.1187 0.2572 -0.2671 -0.6811 0.6817 -0.0159 -0.0126 0.0285 -2.132 -1.696 3.828 -0.761 -0.605 1.366 -0.711 -0.566 1.277 21 C 13 -0.2224 -0.6026 0.7664 -0.0013 0.7863 0.6179 0.975 -0.1364 0.1756 -9.0E-4 -4.0E-4 0.0013 -0.467 -0.202 0.669 -0.167 -0.072 0.239 -0.156 -0.067 0.223 22 H 1 0.204 0.8158 -0.5411 -0.0817 0.565 0.8211 0.9756 -0.1233 0.1819 -0.001 -8.0E-4 0.0018 -0.544 -0.426 0.97 -0.194 -0.152 0.346 -0.182 -0.142 0.324 23 H 1 -0.0387 0.688 0.7246 0.2428 0.7099 -0.6611 0.9693 -0.1503 0.1945 -0.0024 -4.0E-4 0.0028 -1.281 -0.203 1.485 -0.457 -0.073 0.53 -0.427 -0.068 0.495 24 H 1 -0.1367 0.9887 0.061 0.9297 0.1068 0.3525 -0.342 -0.1049 0.9338 -0.0521 -0.0425 0.0947 -8.929 -7.282 16.211 -3.186 -2.598 5.784 -2.978 -2.429 5.407 25 B 11 0.1001 0.8977 0.4291 0.7763 0.1993 -0.5981 0.6224 -0.393 0.6769 -0.0108 -5.0E-4 0.0113 -5.763 -0.249 6.012 -2.056 -0.089 2.145 -1.922 -0.083 2.005 26 H 1 0.5764 -0.453 0.6801 0.8164 0.3565 -0.4544 -0.0366 0.8171 0.5753 -0.008 -0.0011 0.0091 -4.274 -0.608 4.882 -1.525 -0.217 1.742 -1.426 -0.203 1.628 27 H 1 -0.2021 -0.1792 0.9628 -0.274 0.9542 0.1201 0.9402 0.2395 0.242 -0.1338 0.0552 0.0786 -17.961 7.413 10.549 -6.409 2.645 3.764 -5.991 2.473 3.519 28 C 13 -0.0445 0.9717 0.2321 0.1584 -0.2225 0.962 0.9864 0.0795 -0.144 -0.0094 -1.0E-4 0.0094 -5.005 -0.029 5.033 -1.786 -0.01 1.796 -1.669 -0.01 1.679 29 H 1 0.9369 0.2878 0.1984 -0.3069 0.9489 0.0727 -0.1673 -0.129 0.9774 -0.2136 -0.2049 0.4186 -28.665 -27.501 56.166 -10.229 -9.813 20.042 -9.562 -9.173 18.735 30 C 13 0.9703 -0.1808 0.1604 -0.1815 -0.1068 0.9776 0.1596 0.9777 0.1364 -0.0264 -0.0014 0.0278 -14.095 -0.723 14.818 -5.029 -0.258 5.287 -4.702 -0.241 4.943 31 H 1 0.0733 0.015 0.9972 0.3338 0.9419 -0.0387 0.9398 -0.3357 -0.064 -0.009 -0.0021 0.0111 -1.212 -0.278 1.49 -0.433 -0.099 0.532 -0.404 -0.093 0.497 32 C 13 0.8912 0.3909 0.2303 -0.3748 0.9203 -0.1119 -0.2557 0.0134 0.9667 -0.0186 -0.0115 0.0301 1.345 0.831 -2.176 0.48 0.296 -0.776 0.449 0.277 -0.726 33 O 17 0.1457 0.9855 0.0874 0.9874 -0.1503 0.0488 -0.0613 -0.0792 0.995 -0.1629 -0.1614 0.3243 11.79 11.679 -23.468 4.207 4.167 -8.374 3.933 3.896 -7.828 34 O 17 0.6884 0.1007 0.7183 -0.6286 -0.4113 0.6601 -0.3619 0.9059 0.2198 -0.0013 -6.0E-4 0.0019 -0.17 -0.084 0.254 -0.06 -0.03 0.09 -0.057 -0.028 0.085 35 C 13 0.2543 -0.1833 0.9496 0.8201 0.5613 -0.1113 -0.5126 0.8071 0.293 -0.0014 -7.0E-4 0.0021 -0.741 -0.4 1.141 -0.264 -0.143 0.407 -0.247 -0.133 0.38 36 H 1 0.2333 -0.0111 0.9723 0.89 0.4053 -0.2089 -0.3918 0.9141 0.1044 -0.0011 -4.0E-4 0.0015 -0.581 -0.227 0.808 -0.207 -0.081 0.288 -0.194 -0.076 0.27 37 H 1 -0.0055 0.2671 0.9637 0.8556 0.5001 -0.1337 -0.5176 0.8238 -0.2312 -0.0015 -7.0E-4 0.0021 -0.776 -0.359 1.135 -0.277 -0.128 0.405 -0.259 -0.12 0.379 38 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT9522.700S Tue Oct 1 11:40:27 2024 -19.29420 -19.23083 -14.55112 -14.52975 -14.51611 -10.41289 -10.36955 -10.36890 -10.35831 -10.35015 -10.33252 -10.32798 -10.32781 -10.32697 -10.32396 -10.32297 -10.32200 -10.32131 -10.31951 -10.31315 -10.30996 -6.84907 -1.22149 -1.19285 -1.09716 -1.05693 -0.98668 -0.96880 -0.89841 -0.88983 -0.87983 -0.86514 -0.85760 -0.80939 -0.78755 -0.76080 -0.74842 -0.71998 -0.71267 -0.69615 -0.65904 -0.64782 -0.63867 -0.63326 -0.60914 -0.59482 -0.59143 -0.57520 -0.57206 -0.56399 -0.55481 -0.55178 -0.54938 -0.53853 -0.52726 -0.52389 -0.50575 -0.49795 -0.48950 -0.47930 -0.47753 -0.47460 -0.46379 -0.46090 -0.45513 -0.45153 -0.44331 -0.43580 -0.42407 -0.39829 -0.38249 -0.37376 -0.36075 -0.35960 -0.35366 -0.35325 -0.32685 -0.20943 -0.02814 0.02795 0.03993 0.05495 0.07203 0.12451 0.13265 0.13731 0.15147 0.15765 0.16955 0.17559 0.18292 0.18916 0.19096 0.19945 0.20612 0.20748 0.21355 0.21758 0.22360 0.22778 0.23093 0.23464 0.24514 0.25183 0.25298 0.25753 0.29541 0.29760 0.30462 0.31605 0.32811 0.33415 0.34098 0.34903 0.35451 0.35673 0.36268 0.36934 0.38185 0.38544 0.39796 0.39872 0.41110 0.41675 0.42111 0.43558 0.45442 0.47681 0.48123 0.48435 0.49038 0.49615 0.50403 0.51660 0.51857 0.52818 0.53508 0.53907 0.54367 0.55343 0.55525 0.55939 0.56696 0.57349 0.57760 0.58291 0.58553 0.60230 0.60794 0.62309 0.62672 0.62972 0.63354 0.63852 0.64690 0.66116 0.67254 0.67657 0.68778 0.69163 0.70681 0.71197 0.71596 0.72067 0.72608 0.72910 0.73840 0.74019 0.74107 0.74492 0.75363 0.75889 0.76203 0.76569 0.77147 0.77826 0.78207 0.78443 0.78721 0.79315 0.79774 0.81060 0.81566 0.82018 0.82685 0.83633 0.84824 0.85900 0.86714 0.87429 0.88076 0.88643 0.89331 0.91279 0.91509 0.92144 0.93126 0.93413 0.95813 0.97309 0.99702 1.00116 1.01061 1.03486 1.03632 1.06558 1.08898 1.09412 1.10617 1.12407 1.12768 1.14143 1.15370 1.16457 1.17173 1.19033 1.19736 1.21314 1.22590 1.24732 1.26386 1.26655 1.27817 1.28608 1.29595 1.30275 1.30698 1.31824 1.32130 1.33271 1.34895 1.35474 1.36101 1.36756 1.37459 1.37834 1.39082 1.40110 1.42686 1.44014 1.45274 1.47816 1.49854 1.51068 1.52989 1.54447 1.57503 1.58030 1.59939 1.61394 1.63716 1.64381 1.66378 1.67962 1.73207 1.73757 1.74399 1.75026 1.75773 1.76437 1.76855 1.77489 1.78233 1.79505 1.80290 1.80744 1.81330 1.81806 1.82428 1.82555 1.82970 1.83836 1.84879 1.85304 1.85865 1.86243 1.86853 1.87363 1.87925 1.88641 1.89438 1.91457 1.92965 1.93199 1.94576 1.96481 1.97133 1.98899 1.99308 2.00904 2.01145 2.01449 2.02265 2.02653 2.02890 2.04926 2.05467 2.05716 2.06457 2.06928 2.07615 2.09785 2.10391 2.12894 2.14211 2.14742 2.16880 2.18472 2.19923 2.20685 2.21739 2.23292 2.23752 2.24772 2.24886 2.25679 2.27703 2.29634 2.30990 2.31301 2.33262 2.33986 2.35578 2.36144 2.36977 2.37297 2.38454 2.39146 2.39862 2.40353 2.42379 2.42511 2.44601 2.45522 2.47515 2.49403 2.50455 2.52384 2.57188 2.59035 2.59430 2.62657 2.63160 2.64830 2.66133 2.67572 2.68386 2.70031 2.70980 2.73222 2.73621 2.74738 2.77515 2.78894 2.79817 2.79925 2.80275 2.80669 2.80849 2.83635 2.85058 2.86930 2.88506 2.90104 2.92895 2.94127 2.94806 2.95342 2.96251 2.97521 2.99357 3.04634 3.07357 3.08257 3.08686 3.12870 3.14276 3.16417 3.19330 3.20000 3.26180 3.28650 3.30675 3.32097 3.36577 3.39441 3.42600 3.55635 3.62430 3.73336 3.74656 3.75261 3.77750 -19.29404 -19.22886 -14.54873 -14.53058 -14.50803 -10.41329 -10.37031 -10.36925 -10.35794 -10.35016 -10.33182 -10.32821 -10.32818 -10.32662 -10.32414 -10.32241 -10.32216 -10.32098 -10.31918 -10.31195 -10.30858 -6.84739 -1.21357 -1.19176 -1.09404 -1.05369 -0.98451 -0.96805 -0.89357 -0.88413 -0.87818 -0.86432 -0.85673 -0.80922 -0.78275 -0.75852 -0.74721 -0.71571 -0.71143 -0.69509 -0.65809 -0.64620 -0.63737 -0.63012 -0.59872 -0.59246 -0.58782 -0.57379 -0.56978 -0.56279 -0.55348 -0.55038 -0.54777 -0.53807 -0.52695 -0.52309 -0.50368 -0.49396 -0.48667 -0.47809 -0.47404 -0.46634 -0.46244 -0.45862 -0.45338 -0.44865 -0.43895 -0.43493 -0.41215 -0.39658 -0.37688 -0.36035 -0.35874 -0.35243 -0.35063 -0.34122 -0.31782 -0.01564 0.00979 0.03153 0.04071 0.05852 0.08716 0.12535 0.13300 0.14919 0.15239 0.16209 0.16969 0.17824 0.18351 0.18985 0.19122 0.19994 0.20726 0.20926 0.21438 0.21874 0.22432 0.22843 0.23169 0.23635 0.24714 0.25441 0.25591 0.25851 0.29691 0.30014 0.30659 0.31648 0.33121 0.33480 0.34225 0.34957 0.35551 0.35859 0.36417 0.37017 0.38486 0.38765 0.39983 0.40138 0.41164 0.41831 0.42222 0.43607 0.45558 0.47775 0.48158 0.48630 0.49206 0.50060 0.50528 0.51785 0.52017 0.52951 0.53584 0.53949 0.54476 0.55431 0.55586 0.55987 0.56919 0.57472 0.57829 0.58426 0.58689 0.60357 0.60904 0.62442 0.62800 0.63042 0.63353 0.63932 0.64820 0.66287 0.67513 0.67824 0.68937 0.69354 0.70825 0.71463 0.71675 0.72130 0.72727 0.73043 0.73956 0.74058 0.74167 0.74585 0.75502 0.76074 0.76234 0.76708 0.77300 0.78042 0.78315 0.78691 0.78837 0.79509 0.79871 0.81130 0.81623 0.82164 0.82757 0.83658 0.84952 0.86050 0.86838 0.87623 0.88245 0.88907 0.89494 0.91343 0.91654 0.92383 0.93636 0.93938 0.96043 0.97552 0.99909 1.00299 1.01156 1.03701 1.03923 1.07117 1.09319 1.09787 1.10786 1.12583 1.13023 1.14248 1.15705 1.16807 1.17612 1.19333 1.19904 1.21531 1.22770 1.24913 1.26456 1.26815 1.27891 1.28759 1.29722 1.30415 1.30767 1.31896 1.32210 1.33345 1.34941 1.35641 1.36216 1.36907 1.37516 1.37931 1.39314 1.40418 1.43011 1.44157 1.45716 1.48060 1.50031 1.51462 1.53089 1.54636 1.57525 1.58310 1.59950 1.61648 1.63879 1.64447 1.66468 1.68038 1.73262 1.73849 1.74452 1.75089 1.75909 1.76534 1.76960 1.77520 1.78307 1.79586 1.80398 1.80819 1.81397 1.81837 1.82471 1.82617 1.83012 1.83947 1.84990 1.85496 1.85943 1.86285 1.87005 1.87457 1.87987 1.88839 1.89529 1.91981 1.93035 1.93650 1.94691 1.96849 1.97241 1.99026 1.99411 2.01071 2.01259 2.01524 2.02459 2.02762 2.03321 2.04991 2.05553 2.06011 2.06873 2.07178 2.07802 2.10092 2.10544 2.13049 2.14257 2.15008 2.17020 2.18546 2.20015 2.21081 2.21778 2.23358 2.23950 2.24849 2.25019 2.25691 2.27886 2.29813 2.31174 2.31754 2.33578 2.34412 2.35686 2.36342 2.37129 2.37383 2.38700 2.39285 2.40041 2.40464 2.42473 2.42783 2.44989 2.45939 2.47693 2.49521 2.50616 2.52576 2.57409 2.59285 2.59676 2.63088 2.63654 2.65096 2.66258 2.67697 2.68478 2.70253 2.71100 2.73719 2.73944 2.74774 2.77641 2.79228 2.79847 2.80185 2.80531 2.80803 2.81006 2.83874 2.85752 2.87071 2.88663 2.90186 2.93630 2.94218 2.95056 2.95683 2.96595 2.97706 2.99510 3.04668 3.07650 3.08414 3.08798 3.12933 3.14368 3.16753 3.19364 3.20900 3.26253 3.28720 3.30896 3.32430 3.36740 3.39705 3.42871 3.55773 3.62649 3.73413 3.74714 3.75385 3.77937 2-A. 1.94888302e+00 1.67365045e+00 6.00631806e-01 5.58471125e+02 9.45010166e+01 2.68374101e+02 -1.51984704e+01 6.60938042e+00 1.41435125e+02 -794.0297 -0.0003 0.0007 0.0009 2.0801 2.7751 6.7743 14.7269 23.8569 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -794.0297 14.6304 23.8340 40.9509 48.8353 64.5475 70.0010 85.3017 107.8979 128.9128 151.1796 179.9793 223.6968 241.3715 249.0504 256.6192 284.8880 322.0126 348.3796 350.4764 409.7518 425.7165 440.8031 509.3557 531.3980 540.7456 578.3115 590.6402 611.9991 618.8866 626.1974 634.9143 656.5905 689.6005 722.2579 732.6485 748.7776 769.6326 785.7731 788.5317 794.2416 814.7546 832.4768 865.8970 883.6765 887.5028 941.1200 948.1805 951.3658 977.2946 983.7804 1012.5700 1013.3118 1021.5167 1022.9708 1037.2081 1040.3484 1052.3417 1061.6765 1107.0869 1113.8202 1149.6291 1155.1319 1160.1737 1179.2385 1184.7445 1187.7505 1199.2295 1216.1422 1221.5985 1239.9144 1275.0133 1283.5201 1319.9442 1332.4804 1351.2026 1374.2594 1384.5734 1403.5050 1416.3218 1441.5473 1468.0947 1472.5808 1490.3892 1504.9125 1520.2915 1539.8409 1558.0579 1579.2884 1677.6243 1691.6746 1696.5045 1702.0694 1840.6110 2581.8441 2683.9051 3057.8342 3145.7843 3154.9149 3190.7217 3209.5432 3215.0241 3218.6123 3228.8629 3229.5274 3229.6985 3236.9949 3245.3528 3251.0333 3252.9837 3260.0574 7.8848 4.6012 5.5728 4.6159 4.6972 4.9997 5.2249 4.5950 4.3860 1.7396 1.8964 3.6381 3.4633 4.5285 4.2126 3.8776 3.3338 4.0953 3.7710 4.5615 5.5434 2.9434 3.1070 3.4733 3.5602 4.9385 4.8148 3.9056 4.9051 3.5222 2.6626 6.2430 2.7690 5.2435 1.7837 1.5293 1.4446 1.3250 2.6177 2.8187 3.0992 3.4473 2.8680 1.2609 1.6741 3.0363 1.6976 1.2798 1.4777 1.3966 3.7321 1.3136 1.3738 2.4807 1.8326 1.3369 1.2474 1.8588 2.0986 2.4537 1.5964 3.3976 1.5222 1.6948 1.1025 1.2976 1.3257 1.1408 1.5542 1.6318 2.7768 2.2016 1.9635 2.5028 1.8755 1.9162 3.9581 4.3038 2.2061 3.2360 3.5022 1.0411 1.1840 1.1106 2.5849 3.0434 3.4827 3.0867 3.2946 6.6777 6.7805 8.0128 6.9701 11.4143 1.0521 1.1339 1.0319 1.0573 1.1075 1.1079 1.0869 1.0886 1.0917 1.0952 1.0934 1.0953 1.0984 1.0969 1.0955 1.0972 1.1173 2.9290 0.0006 0.0019 0.0046 0.0066 0.0123 0.0151 0.0197 0.0301 0.0170 0.0255 0.0694 0.1021 0.1554 0.1539 0.1505 0.1594 0.2502 0.2697 0.3301 0.5484 0.3143 0.3557 0.5309 0.5923 0.8508 0.9488 0.8028 1.0824 0.7948 0.6152 1.4828 0.7033 1.4692 0.5482 0.4837 0.4772 0.4624 0.9523 1.0326 1.1519 1.3483 1.1710 0.5570 0.7702 1.4091 0.8859 0.6779 0.7880 0.7859 2.1281 0.7935 0.8311 1.5252 1.1299 0.8474 0.7954 1.2128 1.3937 1.7719 1.1668 2.6457 1.1967 1.3440 0.9033 1.0731 1.1019 0.9666 1.3543 1.4347 2.5153 2.1087 1.9058 2.5692 1.9620 2.0612 4.4043 4.8612 2.5604 3.8246 4.2880 1.3221 1.5127 1.4534 3.4492 4.1444 4.8654 4.4149 4.8414 11.0731 11.4325 13.5876 11.8971 22.7837 4.1321 4.8123 5.6848 6.1643 6.4949 6.6457 6.5967 6.6297 6.6635 6.7274 6.7190 6.7316 6.7811 6.8069 6.8222 6.8404 6.9966 8677.7471 0.2645 0.0755 1.5102 1.4287 0.2540 1.2755 1.6984 0.0902 7.6069 8.3166 2.9830 21.6241 0.9856 9.0754 16.5497 9.7254 5.7125 9.0004 0.6981 4.2494 2.2201 3.4486 4.1096 89.7490 11.8729 3.9798 32.9438 36.9663 14.0947 6.4524 5.6803 24.5223 169.3222 270.5068 676.2558 356.0834 103.2608 26.7564 4.5713 17.3303 137.9630 27.9990 0.2554 5.7851 26.8445 34.6860 14.9997 2.3494 1.4289 16.5621 41.2708 9.2877 0.1051 0.4212 0.1019 18.3243 10.9053 6.0280 5.4206 81.5178 74.5345 331.1798 573.9388 4.2681 3.2903 267.6835 53.1513 10.4957 202.8898 834.2357 19.8501 168.4682 221.8301 73.1301 32.6204 11.3954 18.9451 227.2781 27.0652 78.7135 5.8423 81.3008 19.2500 14.5893 105.6677 8.2360 556.0694 77.3596 3.2180 131.7457 14.4302 59.4191 1165.6919 89.8621 91.2571 52.6533 15.2042 14.1703 5.3891 2.9789 1.2959 5.8683 21.7056 11.7773 4.7323 1.7061 0.1010 0.9495 2.0844 2.5953 -0.01 0.01 0.00 -0.04 0.03 -0.00 0.02 -0.01 0.01 0.02 0.05 0.01 -0.03 0.02 -0.00 -0.01 -0.03 -0.01 0.01 0.05 -0.04 0.01 0.04 -0.00 -0.01 0.02 0.01 -0.01 -0.03 -0.00 -0.15 -0.01 -0.05 0.07 -0.16 0.01 0.04 0.01 0.02 -0.02 0.02 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.02 -0.00 0.02 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.23 0.15 -0.45 -0.19 -0.05 0.17 -0.11 -0.09 0.23 -0.23 -0.10 0.46 -0.01 0.09 -0.26 0.13 0.00 -0.02 0.11 0.01 -0.08 -0.03 0.07 -0.00 -0.01 -0.03 -0.00 0.04 -0.02 0.00 -0.01 0.02 -0.00 0.02 0.00 0.01 0.03 -0.00 -0.00 0.02 0.00 -0.01 0.08 0.03 -0.33 -0.04 -0.01 -0.03 -0.03 -0.02 -0.07 -0.04 -0.03 -0.09 -0.06 -0.03 -0.07 -0.07 -0.02 -0.03 -0.07 -0.01 -0.01 -0.02 -0.04 -0.12 -0.06 -0.04 -0.09 -0.09 -0.02 -0.02 -0.08 -0.01 0.02 -0.01 -0.02 -0.08 -0.01 -0.01 -0.06 -0.03 -0.01 -0.03 -0.04 0.01 0.01 -0.08 -0.00 0.04 -0.00 0.02 0.02 -0.08 0.01 0.08 -0.11 -0.02 0.04 -0.01 0.03 0.06 0.03 0.03 0.00 -0.05 0.03 0.10 -0.12 0.00 0.11 0.02 0.05 0.07 -0.05 0.03 0.13 0.01 -0.04 -0.10 -0.00 -0.04 -0.09 0.03 -0.02 -0.13 0.04 -0.13 -0.10 0.11 -0.16 -0.03 0.01 -0.04 -0.10 -0.06 -0.01 -0.18 0.06 0.04 0.02 0.15 0.01 0.11 0.04 0.12 0.03 0.21 0.08 0.23 0.24 0.06 0.25 0.28 0.05 0.29 0.16 0.19 0.25 0.01 -0.19 -0.18 -0.03 -0.07 0.06 -0.03 -0.10 0.07 -0.05 -0.13 0.08 -0.09 -0.12 0.08 -0.09 -0.08 0.07 -0.06 -0.06 0.06 -0.05 -0.16 0.09 -0.11 -0.14 0.09 -0.12 -0.08 0.07 -0.07 -0.03 0.05 0.01 -0.10 0.07 0.02 -0.07 0.07 -0.00 -0.05 0.06 0.02 0.00 0.00 0.03 0.02 -0.01 0.04 0.05 -0.04 0.06 0.08 -0.07 0.02 -0.02 0.02 0.06 0.11 -0.10 0.03 0.04 -0.03 0.07 0.13 -0.12 0.07 0.09 -0.09 0.08 0.15 -0.14 0.10 0.18 -0.17 0.02 -0.12 0.06 0.03 -0.14 0.02 0.04 -0.13 0.11 -0.06 -0.06 0.06 -0.01 -0.07 0.05 -0.08 0.02 0.02 -0.15 0.03 0.04 -0.02 0.09 -0.05 0.07 0.07 -0.08 -0.04 0.17 -0.09 0.13 0.15 -0.15 0.09 0.22 -0.17 0.20 0.12 -0.15 0.16 0.16 -0.17 -0.12 -0.11 0.10 -0.01 -0.02 -0.03 0.00 -0.01 -0.05 -0.00 -0.02 -0.03 -0.01 -0.03 0.03 -0.02 -0.04 0.05 -0.01 -0.03 0.03 -0.00 -0.01 -0.04 -0.01 -0.03 0.05 -0.02 -0.04 0.10 -0.02 -0.05 0.05 0.01 -0.01 -0.08 0.01 -0.01 -0.09 -0.00 -0.02 -0.06 -0.01 -0.01 -0.03 -0.09 -0.13 0.10 0.07 0.12 -0.11 -0.10 -0.12 0.15 -0.16 -0.22 0.15 0.06 0.12 -0.07 0.14 0.21 -0.21 -0.03 0.01 0.06 -0.17 -0.21 0.24 0.13 0.22 -0.13 -0.03 0.01 0.10 -0.00 -0.01 -0.03 -0.02 -0.02 -0.02 -0.02 -0.03 0.00 0.04 0.09 0.00 0.04 0.11 -0.08 0.04 0.05 0.10 0.05 0.03 0.21 0.02 0.02 0.09 0.01 0.04 -0.11 0.02 -0.01 0.24 -0.01 0.01 -0.15 0.06 0.11 -0.06 -0.02 0.03 -0.32 -0.09 -0.13 -0.09 0.06 0.11 0.03 0.03 -0.04 0.01 0.03 -0.02 -0.00 0.07 0.02 -0.08 0.11 0.02 -0.14 0.11 -0.00 -0.11 0.07 -0.04 -0.04 0.06 0.04 -0.10 0.14 0.05 -0.20 0.13 -0.00 -0.16 0.07 -0.07 -0.01 0.00 -0.03 0.05 -0.01 -0.05 0.09 -0.00 -0.05 0.07 0.01 -0.03 0.04 -0.03 -0.11 0.12 0.07 0.12 -0.08 -0.01 -0.05 0.08 -0.09 -0.22 0.20 0.09 0.18 -0.12 0.10 0.18 -0.14 0.05 0.10 -0.05 -0.04 -0.11 0.14 0.14 0.29 -0.22 0.07 0.15 -0.08 -0.01 -0.01 0.02 0.02 0.01 0.00 -0.02 -0.01 0.03 -0.08 -0.01 0.01 -0.08 -0.01 0.03 -0.07 0.00 -0.03 -0.07 0.01 -0.08 -0.08 -0.00 -0.02 -0.09 -0.01 0.11 -0.07 -0.00 -0.11 -0.10 -0.01 0.15 -0.13 -0.10 0.11 -0.11 -0.01 0.26 -0.06 0.07 0.12 -0.08 -0.01 0.01 0.03 -0.03 0.02 0.05 -0.03 -0.02 0.04 -0.04 -0.03 0.02 -0.04 0.01 0.00 -0.04 0.05 0.01 -0.03 0.06 0.05 -0.04 -0.06 0.01 -0.05 0.01 -0.01 -0.04 0.07 -0.00 -0.02 0.08 0.06 -0.02 -0.04 0.05 -0.02 -0.01 0.04 -0.03 0.03 0.04 -0.01 0.03 0.06 0.06 -0.03 0.04 -0.05 0.08 0.08 0.11 -0.05 0.07 0.09 -0.05 0.05 -0.01 0.06 0.02 -0.11 0.12 0.07 0.07 -0.01 0.09 0.17 -0.10 0.04 -0.04 0.09 0.08 0.11 -0.03 0.07 -0.00 -0.12 0.11 0.01 -0.17 0.07 -0.01 -0.11 -0.09 -0.00 -0.16 -0.07 -0.01 -0.14 -0.10 0.02 -0.14 -0.12 0.03 -0.14 -0.11 0.02 0.00 -0.10 0.03 -0.13 -0.13 0.01 0.25 -0.12 0.02 0.12 0.12 0.06 0.33 -0.11 0.02 -0.07 -0.39 -0.05 0.28 -0.10 -0.02 -0.17 -0.04 0.01 0.12 -0.02 0.05 0.01 0.04 0.10 -0.13 0.06 0.10 -0.15 0.03 0.05 -0.02 -0.02 0.01 0.12 0.06 0.14 -0.24 0.11 0.13 -0.27 0.06 0.05 -0.03 -0.04 -0.03 0.21 -0.04 0.05 0.04 -0.08 0.01 0.13 -0.08 -0.01 0.18 -0.06 -0.02 0.10 0.01 -0.03 0.06 -0.12 0.00 0.03 0.04 -0.02 -0.06 0.06 -0.05 0.12 -0.09 0.01 -0.09 -0.18 0.01 0.06 -0.01 0.00 -0.14 0.11 -0.03 -0.09 -0.13 0.03 -0.16 0.01 0.02 -0.24 -0.03 0.05 -0.02 -0.04 0.06 0.01 -0.01 0.07 -0.08 0.03 -0.09 -0.04 0.03 -0.11 0.01 0.02 -0.08 -0.04 0.01 -0.07 -0.06 0.04 -0.06 0.01 0.10 -0.06 -0.11 0.02 -0.03 0.14 0.14 -0.02 -0.12 0.20 0.10 -0.04 0.19 -0.03 -0.26 0.05 -0.10 -0.06 0.03 -0.10 -0.09 -0.04 -0.04 0.06 0.01 -0.03 -0.09 0.01 -0.04 -0.17 -0.04 -0.05 -0.08 -0.09 -0.06 0.11 -0.09 -0.05 0.17 0.05 -0.03 -0.30 -0.04 -0.05 -0.13 -0.13 -0.07 0.20 -0.13 -0.05 0.31 0.03 -0.03 -0.10 0.01 -0.03 -0.02 -0.03 -0.04 0.08 -0.02 -0.03 0.05 0.02 -0.01 0.01 -0.04 -0.04 0.04 0.04 0.02 -0.05 0.04 -0.01 0.03 -0.03 -0.02 -0.02 -0.07 -0.06 0.07 0.02 0.02 -0.07 0.07 0.04 -0.09 -0.04 -0.02 -0.03 0.03 0.04 -0.12 0.02 -0.04 -0.04 0.03 -0.07 -0.10 0.00 -0.07 0.05 0.10 0.20 -0.01 0.06 0.24 -0.09 0.12 0.13 0.05 0.17 0.11 0.11 0.06 0.06 0.01 -0.04 0.08 0.09 0.10 -0.02 -0.09 -0.11 -0.00 0.05 -0.17 -0.12 -0.02 -0.20 0.03 0.16 -0.02 0.02 -0.00 0.14 0.26 0.04 0.01 -0.08 -0.01 -0.01 -0.00 -0.01 0.04 0.06 0.04 0.12 0.03 0.08 0.14 -0.05 0.06 0.09 -0.11 0.01 0.03 0.13 0.04 0.16 0.07 0.13 0.21 -0.07 0.08 0.11 -0.17 -0.02 -0.07 0.01 -0.06 -0.09 -0.06 -0.08 -0.05 -0.11 -0.04 -0.07 -0.10 0.01 -0.11 0.01 -0.03 0.00 -0.11 0.07 -0.08 0.18 -0.05 -0.17 -0.02 -0.05 0.04 0.06 0.07 0.04 -0.21 0.12 0.01 0.22 -0.01 -0.12 0.29 -0.09 0.10 0.06 0.11 0.04 0.36 -0.04 -0.12 0.07 -0.03 -0.12 0.13 0.05 -0.18 0.08 -0.11 0.02 0.01 -0.02 0.02 0.00 -0.01 0.02 -0.01 0.03 0.02 -0.01 0.03 0.02 -0.01 0.03 0.02 -0.01 0.05 0.02 -0.01 -0.00 0.03 -0.00 -0.07 -0.09 -0.02 -0.18 0.03 -0.01 0.02 0.17 0.03 -0.15 0.04 0.01 -0.06 -0.01 -0.01 -0.00 -0.02 -0.01 0.02 -0.02 -0.01 0.05 0.00 -0.00 0.02 0.02 -0.00 -0.03 0.01 -0.01 -0.04 -0.03 -0.01 0.09 0.00 -0.00 0.04 0.03 -0.00 -0.05 0.02 -0.02 -0.07 -0.03 -0.01 0.03 -0.03 -0.02 0.02 -0.02 -0.02 0.01 -0.02 -0.02 0.01 -0.03 -0.01 0.01 -0.02 -0.01 0.00 -0.02 0.01 -0.00 -0.03 -0.02 0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.02 -0.01 -0.02 0.01 -0.00 -0.00 0.02 -0.01 -0.01 0.04 -0.02 -0.03 -0.00 0.03 -0.02 -0.00 0.02 -0.04 -0.01 0.04 0.04 0.05 0.04 0.01 0.05 0.04 0.06 0.03 -0.03 0.09 0.03 -0.05 0.05 0.01 -0.07 0.02 0.02 -0.10 0.06 -0.01 -0.06 -0.01 -0.01 0.09 0.35 0.21 0.45 0.01 0.02 -0.36 -0.42 -0.28 0.36 0.05 0.07 0.06 -0.01 -0.01 0.00 -0.02 -0.01 0.03 -0.03 -0.02 0.07 -0.02 -0.01 0.03 0.01 0.00 -0.06 0.01 0.00 -0.06 -0.04 -0.03 0.13 -0.02 -0.02 0.05 0.02 0.01 -0.11 0.02 0.01 -0.11 -0.01 -0.01 0.03 -0.02 -0.02 0.04 -0.02 -0.01 0.03 -0.02 -0.01 0.02 -0.01 -0.01 0.02 -0.02 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.02 0.03 -0.02 0.01 -0.01 -0.03 0.00 0.01 -0.01 0.01 -0.02 0.00 -0.01 0.00 -0.02 0.02 -0.03 -0.00 0.01 -0.03 -0.00 -0.00 -0.01 0.01 -0.00 -0.03 -0.00 -0.00 0.00 0.04 0.05 -0.01 0.02 0.05 0.01 0.06 0.04 -0.07 0.08 0.04 -0.10 0.04 0.02 -0.05 0.02 0.03 -0.13 0.04 -0.01 0.07 -0.02 -0.01 0.05 -0.21 -0.43 -0.19 -0.09 -0.02 0.60 0.20 0.39 -0.12 0.05 0.06 -0.00 -0.01 -0.00 0.01 -0.01 -0.02 0.04 -0.05 -0.05 0.13 -0.05 -0.04 0.06 -0.01 0.01 -0.11 0.01 0.02 -0.12 -0.07 -0.09 0.23 -0.07 -0.06 0.12 0.00 0.03 -0.21 0.03 0.05 -0.21 0.01 -0.01 -0.01 -0.00 -0.02 0.06 -0.02 -0.01 0.08 -0.01 -0.01 0.07 0.01 -0.03 0.06 -0.04 -0.00 0.04 0.02 -0.02 0.01 0.03 -0.03 0.08 -0.02 0.01 -0.02 -0.06 0.01 0.05 0.01 0.00 -0.04 0.05 -0.03 -0.00 -0.04 0.03 -0.06 0.02 0.02 -0.09 0.04 0.03 -0.14 0.07 0.05 -0.16 0.04 0.04 -0.18 0.07 0.00 -0.15 0.11 -0.02 -0.08 0.05 0.05 -0.10 0.03 0.07 -0.18 0.03 0.04 0.07 -0.03 0.05 0.20 0.05 0.01 0.03 -0.06 -0.00 -0.13 -0.10 0.23 -0.11 -0.10 0.04 -0.41 -0.01 -0.32 -0.13 0.06 -0.03 -0.25 0.03 0.04 -0.09 0.03 0.03 -0.10 -0.01 -0.01 0.01 -0.05 -0.02 0.10 -0.02 0.01 -0.00 0.02 0.05 -0.11 -0.01 -0.04 0.06 -0.09 -0.05 0.22 -0.05 0.01 0.03 0.03 0.06 -0.14 0.03 0.02 -0.07 0.00 0.02 0.03 0.00 0.02 0.03 -0.02 -0.03 0.09 0.00 -0.06 0.10 -0.05 -0.04 0.08 0.03 -0.03 0.01 0.01 -0.07 0.12 -0.02 0.00 -0.02 -0.08 -0.04 0.10 0.03 0.04 -0.07 0.07 -0.03 -0.01 -0.03 0.03 -0.06 0.06 0.10 -0.16 0.04 0.01 -0.07 0.05 -0.01 -0.12 0.06 -0.01 0.01 -0.07 0.15 -0.06 -0.19 0.24 -0.26 -0.04 -0.04 0.14 0.04 -0.09 0.39 -0.06 -0.08 0.00 0.01 -0.10 -0.03 -0.07 -0.04 -0.05 0.15 0.04 0.05 0.16 0.10 0.07 0.28 -0.03 0.09 0.10 0.17 0.07 0.03 0.29 0.06 -0.06 -0.06 0.22 -0.06 -0.05 0.23 -0.05 -0.05 0.14 0.01 0.01 -0.15 0.01 0.01 -0.17 -0.05 -0.03 0.11 -0.04 -0.07 0.14 0.06 0.04 -0.36 0.07 0.05 -0.40 -0.05 -0.00 0.09 -0.00 0.01 -0.00 0.04 0.02 -0.18 0.00 -0.02 0.01 0.02 -0.00 -0.04 0.02 0.01 -0.04 0.05 0.01 -0.03 0.01 0.01 -0.00 0.02 0.02 -0.05 0.04 -0.01 0.02 0.07 -0.00 -0.04 0.02 -0.02 0.04 -0.01 0.01 0.00 0.05 -0.02 0.04 0.00 -0.05 0.09 -0.03 0.07 -0.08 -0.01 0.14 -0.03 -0.07 0.09 -0.15 -0.03 0.15 -0.06 -0.13 0.20 -0.18 -0.00 0.00 0.06 0.07 -0.04 0.20 -0.03 -0.05 0.00 0.00 -0.05 -0.00 -0.03 -0.04 -0.02 0.09 0.04 0.02 0.08 0.10 0.03 0.19 -0.01 0.03 0.07 0.11 0.02 0.05 0.25 -0.00 -0.00 -0.03 -0.04 0.00 -0.03 -0.04 0.03 -0.01 -0.05 0.03 -0.03 0.04 0.02 -0.05 0.07 0.02 -0.06 -0.01 0.02 0.03 -0.08 0.03 -0.02 0.08 0.02 -0.07 0.15 0.02 -0.08 -0.01 -0.03 -0.05 0.06 -0.06 -0.09 0.19 -0.02 -0.04 0.04 0.02 0.07 -0.08 0.02 0.12 -0.11 0.04 0.11 -0.10 -0.02 0.03 -0.01 0.03 0.15 -0.14 -0.01 0.01 0.00 0.06 0.14 -0.14 -0.06 -0.08 0.09 -0.04 0.02 0.01 -0.01 -0.02 0.04 -0.11 -0.21 0.22 -0.05 0.02 0.00 0.03 0.06 -0.08 -0.11 -0.01 0.06 -0.04 0.20 -0.03 -0.21 0.22 -0.02 0.04 0.03 -0.16 0.19 0.02 -0.28 -0.03 -0.05 -0.02 -0.01 -0.07 0.07 -0.03 -0.08 0.04 0.12 0.06 -0.02 0.06 0.21 -0.05 0.25 0.00 -0.07 0.16 0.08 -0.05 0.06 0.32 -0.02 -0.03 -0.04 0.04 -0.02 -0.04 0.00 0.03 0.02 0.04 0.11 -0.00 0.05 0.14 -0.02 -0.00 0.08 -0.06 0.00 0.01 0.08 0.06 0.14 0.03 0.07 0.18 -0.03 -0.04 0.11 -0.13 -0.05 0.03 -0.04 -0.05 0.02 -0.01 0.01 -0.04 -0.01 0.07 -0.03 0.11 -0.00 -0.02 0.14 -0.03 -0.09 0.13 -0.05 -0.04 0.05 -0.02 0.01 0.16 -0.03 -0.12 0.02 -0.02 -0.12 0.18 -0.06 -0.13 -0.05 0.03 -0.01 0.02 -0.03 -0.16 -0.01 -0.01 -0.16 -0.16 0.08 0.12 -0.15 -0.11 0.09 -0.24 -0.18 0.26 -0.15 -0.03 0.02 -0.05 -0.09 0.09 -0.01 -0.24 -0.03 -0.02 0.16 -0.11 -0.04 0.41 0.01 0.02 0.02 0.01 0.03 -0.04 0.01 0.04 -0.05 -0.04 -0.03 0.03 -0.01 -0.10 0.05 -0.10 -0.00 0.05 -0.08 -0.02 0.05 -0.00 -0.06 -0.02 0.00 -0.01 -0.02 0.01 0.00 -0.02 -0.01 -0.02 -0.03 -0.05 -0.02 0.01 -0.05 -0.02 0.00 -0.03 -0.00 -0.03 -0.01 -0.03 -0.03 -0.07 -0.04 0.04 -0.07 -0.02 0.03 -0.03 0.03 -0.03 -0.03 0.01 0.01 -0.08 -0.05 0.14 -0.02 -0.04 0.05 0.04 -0.00 -0.02 0.06 0.02 -0.05 0.09 0.03 -0.03 0.05 -0.00 0.00 0.07 0.05 -0.07 0.08 0.00 0.02 0.12 0.03 -0.06 0.05 -0.05 0.07 0.03 0.01 0.01 0.08 0.00 0.02 0.03 -0.11 0.13 -0.13 0.19 -0.10 -0.09 0.39 0.11 -0.31 0.23 -0.34 0.02 -0.07 -0.09 0.10 -0.06 -0.15 -0.02 -0.03 0.17 -0.11 -0.04 0.35 0.03 0.02 0.03 0.03 0.03 -0.06 0.03 0.05 -0.05 -0.05 -0.05 0.02 0.00 -0.16 0.05 -0.13 -0.02 0.06 -0.09 -0.05 0.05 0.03 -0.08 -0.16 0.03 0.05 0.02 0.01 0.04 0.08 0.01 0.04 0.01 -0.02 0.06 -0.05 -0.04 0.06 0.03 -0.03 0.07 0.06 0.02 0.00 -0.00 -0.02 0.06 -0.12 -0.06 0.06 0.06 -0.05 0.11 0.10 -0.01 0.02 0.13 -0.05 0.01 0.20 0.03 0.02 -0.06 0.00 -0.11 -0.13 -0.11 -0.10 -0.10 0.05 -0.14 -0.07 -0.12 0.01 -0.02 -0.22 -0.16 -0.13 0.06 -0.04 0.01 0.11 -0.22 -0.07 -0.02 0.07 0.00 -0.20 0.04 0.01 0.15 -0.03 0.08 -0.01 0.16 0.04 0.16 -0.10 -0.10 0.14 -0.24 -0.27 0.39 -0.09 0.04 -0.00 0.04 -0.09 -0.04 0.08 -0.21 -0.00 -0.01 0.04 -0.01 -0.03 0.17 0.02 0.00 0.01 0.03 0.00 0.01 0.01 0.03 -0.01 -0.01 -0.04 0.00 -0.00 -0.07 -0.00 -0.05 -0.02 -0.00 -0.01 -0.07 0.00 0.04 0.10 -0.04 -0.02 -0.01 -0.01 -0.02 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.03 0.01 0.01 0.02 0.02 0.03 -0.01 -0.01 0.00 -0.04 -0.02 -0.02 -0.00 -0.02 -0.00 0.00 -0.04 -0.01 -0.00 -0.00 0.00 0.01 0.02 0.03 0.01 0.01 0.01 0.02 0.02 0.03 -0.01 0.00 0.05 0.02 0.02 0.01 0.01 0.00 0.01 0.03 0.02 0.03 -0.01 0.00 0.04 -0.01 0.00 -0.01 0.00 -0.01 0.03 -0.03 -0.00 -0.02 -0.02 0.02 -0.01 -0.05 -0.05 -0.01 -0.05 0.12 -0.11 0.13 0.02 -0.32 0.19 -0.05 -0.03 -0.06 -0.07 0.05 -0.08 -0.07 0.04 -0.01 -0.02 0.16 -0.04 0.04 -0.04 0.25 0.03 -0.02 -0.27 -0.02 -0.01 -0.42 -0.04 -0.26 -0.16 -0.05 0.01 -0.46 -0.02 0.01 0.29 0.13 0.13 0.02 0.02 0.15 -0.04 0.04 0.09 -0.15 -0.01 0.00 -0.14 -0.05 -0.03 -0.05 -0.00 0.06 0.04 0.04 0.11 -0.24 -0.01 -0.04 -0.18 -0.09 -0.13 -0.03 0.00 0.03 0.13 0.07 0.14 -0.01 0.06 0.12 -0.01 0.02 0.08 0.02 -0.03 -0.01 0.01 -0.01 -0.12 0.03 0.02 -0.12 -0.01 -0.04 -0.14 0.04 -0.01 -0.19 -0.01 0.00 -0.14 -0.01 -0.04 -0.18 0.02 -0.02 -0.18 0.06 -0.06 -0.10 0.02 -0.02 -0.11 -0.01 -0.01 -0.17 0.08 -0.08 0.02 0.22 0.03 0.09 0.44 0.20 -0.22 0.24 -0.18 -0.02 0.02 0.03 -0.05 0.01 0.06 -0.01 -0.01 0.00 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.03 -0.01 -0.00 -0.01 0.05 0.00 -0.00 -0.05 -0.00 0.00 -0.08 -0.00 -0.04 -0.03 -0.00 -0.00 -0.08 0.00 -0.01 0.02 0.00 0.05 0.00 0.15 0.11 0.07 -0.10 0.04 0.00 -0.02 -0.08 -0.01 0.12 -0.03 0.06 -0.10 0.00 0.09 -0.03 0.07 -0.09 -0.02 -0.16 -0.07 0.26 -0.03 0.09 -0.24 -0.00 0.18 -0.08 0.07 0.10 -0.18 -0.00 0.03 -0.06 -0.07 -0.12 0.32 -0.02 -0.16 -0.02 -0.04 -0.02 -0.12 0.06 -0.04 -0.13 -0.06 0.07 -0.06 -0.11 -0.02 -0.19 0.06 0.01 -0.02 0.14 -0.02 -0.20 -0.06 -0.05 0.10 -0.10 0.17 -0.09 0.15 0.06 0.01 -0.10 -0.11 0.23 0.05 -0.00 0.09 -0.01 -0.13 0.01 0.13 -0.03 0.23 0.00 -0.03 0.09 0.02 -0.05 0.17 -0.01 -0.00 -0.02 0.01 0.01 -0.11 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.03 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.04 -0.07 0.11 -0.00 -0.01 0.03 -0.00 -0.01 0.03 0.02 0.00 -0.04 -0.00 -0.01 0.02 -0.00 -0.00 0.02 0.01 0.01 -0.03 0.04 0.02 -0.11 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.03 0.04 -0.11 0.00 -0.00 0.01 0.01 0.00 -0.02 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.05 0.15 -0.14 -0.06 -0.15 0.12 -0.07 -0.14 0.12 0.12 0.33 -0.28 0.06 0.15 -0.13 -0.13 -0.32 0.27 -0.01 -0.00 0.01 -0.15 -0.31 0.28 0.13 0.33 -0.29 -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 0.03 -0.14 0.05 0.03 -0.18 -0.04 -0.04 0.20 0.03 0.02 -0.07 0.04 0.03 -0.10 -0.05 -0.03 0.21 -0.14 -0.12 0.60 0.02 0.01 -0.05 0.04 0.03 -0.12 -0.14 -0.08 0.57 0.02 0.01 -0.09 -0.03 -0.02 0.08 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.04 -0.03 -0.01 -0.02 0.02 -0.01 -0.02 0.02 0.03 0.06 -0.04 0.01 0.03 -0.02 -0.02 -0.05 0.05 -0.00 -0.00 0.01 -0.02 -0.06 0.05 0.02 0.06 -0.05 -0.01 -0.01 0.01 -0.02 -0.00 0.02 -0.01 -0.01 -0.02 -0.05 -0.03 0.09 0.00 -0.01 0.02 0.02 -0.02 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.03 -0.00 0.11 0.01 -0.09 0.05 0.04 0.06 0.02 -0.02 0.03 -0.01 0.00 -0.09 -0.05 -0.03 0.06 0.03 0.03 -0.01 0.03 -0.12 0.08 -0.01 0.01 -0.16 -0.11 -0.04 0.19 -0.02 0.11 0.07 -0.07 0.05 0.10 -0.06 -0.00 -0.09 0.01 -0.06 -0.07 -0.07 -0.17 0.20 -0.00 0.04 0.03 -0.00 0.03 0.02 0.04 0.08 -0.08 0.11 0.25 -0.11 0.02 0.08 -0.08 0.05 0.25 -0.15 -0.06 -0.13 0.09 0.15 0.28 -0.26 0.08 0.28 -0.29 -0.08 -0.19 0.14 0.02 -0.01 -0.03 -0.02 -0.14 -0.14 0.21 0.01 0.05 -0.02 0.00 -0.02 -0.05 0.01 -0.03 -0.01 -0.01 0.00 -0.03 -0.01 0.03 0.02 0.01 0.00 0.01 0.02 0.00 0.03 -0.02 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.03 0.00 -0.01 -0.00 0.00 0.02 -0.04 -0.03 0.07 0.03 0.02 0.00 0.07 0.03 -0.01 0.11 -0.00 -0.06 0.04 -0.00 0.06 0.07 0.03 -0.06 0.01 0.02 0.03 0.10 -0.01 -0.06 0.03 0.01 0.02 -0.08 -0.01 0.06 -0.06 -0.02 0.01 -0.02 0.02 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.01 -0.00 -0.05 -0.02 0.05 -0.03 0.08 0.15 -0.22 -0.05 0.03 -0.20 -0.02 -0.07 -0.46 0.13 -0.40 -0.10 -0.12 -0.05 -0.30 -0.13 0.26 0.11 0.06 -0.05 0.04 0.10 0.04 0.18 -0.12 0.04 -0.03 0.06 0.00 -0.03 0.03 -0.01 -0.10 0.09 -0.02 0.00 -0.00 -0.01 -0.07 0.21 0.21 -0.04 -0.02 -0.02 -0.00 -0.12 0.01 0.13 0.09 0.07 0.01 0.18 0.02 -0.04 0.24 0.05 -0.16 0.08 -0.04 0.11 0.19 0.05 -0.10 0.07 -0.07 0.07 0.21 0.09 -0.14 0.04 -0.06 0.06 -0.20 -0.02 0.12 -0.13 0.00 0.04 -0.03 -0.03 0.00 -0.06 0.07 -0.03 0.01 0.03 0.00 -0.02 -0.00 -0.01 0.03 -0.03 -0.02 0.09 -0.05 0.01 0.00 -0.05 0.00 0.08 -0.06 -0.06 -0.04 0.02 0.05 0.10 -0.11 0.05 0.09 -0.11 -0.06 -0.03 0.03 -0.06 -0.07 -0.02 0.02 0.19 0.19 -0.39 -0.09 -0.20 0.12 0.02 -0.01 0.29 -0.03 0.05 0.07 0.08 0.02 0.18 0.06 -0.06 -0.07 -0.03 0.01 -0.03 -0.07 -0.02 -0.11 0.08 -0.02 0.02 -0.04 0.00 0.02 -0.02 0.01 0.06 -0.06 0.01 0.00 -0.01 0.01 0.05 -0.10 -0.14 0.03 0.02 -0.22 -0.03 0.00 -0.01 -0.05 0.01 0.09 0.03 0.07 -0.16 -0.04 -0.03 0.15 0.00 -0.01 -0.12 -0.11 -0.00 0.31 0.07 0.10 -0.24 -0.09 -0.11 0.51 -0.05 -0.07 0.10 -0.00 -0.04 0.15 0.08 0.03 -0.17 -0.08 -0.07 0.29 0.03 0.03 -0.08 0.03 -0.02 -0.05 -0.02 -0.02 -0.06 0.00 -0.01 0.05 -0.07 -0.17 0.02 -0.02 -0.00 0.04 -0.03 -0.17 0.04 0.01 0.06 -0.01 -0.08 -0.11 0.16 -0.03 -0.12 0.17 -0.00 -0.00 -0.00 0.05 0.03 -0.01 0.09 0.11 0.02 0.03 0.06 -0.13 0.01 0.01 -0.02 0.00 0.00 0.01 0.00 0.00 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 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.13 -0.05 -0.03 -0.13 0.03 -0.07 -0.17 0.10 -0.04 -0.03 0.06 0.03 0.04 -0.10 -0.04 -0.06 -0.16 -0.01 -0.20 0.20 -0.01 0.08 0.16 0.13 0.17 -0.13 -0.07 -0.03 -0.26 -0.02 0.13 -0.00 0.05 0.12 0.05 0.05 0.03 0.05 -0.01 -0.01 -0.09 0.06 -0.03 -0.03 0.00 0.01 -0.06 -0.00 -0.01 0.05 -0.05 -0.02 0.05 -0.08 0.04 0.02 -0.06 0.05 0.02 -0.08 -0.05 -0.05 0.05 0.03 0.18 -0.16 0.13 0.16 -0.15 -0.05 -0.03 0.08 0.18 0.12 0.08 0.24 0.33 0.27 0.03 0.16 -0.15 0.00 -0.01 0.00 -0.04 0.02 -0.06 0.00 -0.01 -0.02 -0.02 -0.03 0.12 0.01 -0.00 -0.04 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.01 0.03 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.02 0.01 0.15 -0.09 0.15 0.00 -0.09 -0.09 0.02 -0.06 -0.12 0.02 0.15 -0.15 -0.07 0.07 0.05 0.11 0.11 0.12 -0.01 -0.09 0.03 0.00 0.17 -0.14 -0.19 -0.14 0.09 0.15 0.17 -0.01 -0.07 0.03 -0.07 -0.12 0.04 0.13 0.08 -0.05 0.17 0.04 -0.08 -0.08 -0.00 0.01 -0.12 -0.07 -0.03 -0.06 -0.01 0.04 0.03 -0.04 0.04 -0.04 -0.14 0.01 0.08 0.02 0.10 -0.05 -0.11 0.04 -0.04 0.09 -0.02 0.22 -0.12 0.07 0.21 -0.09 0.05 -0.06 0.07 -0.10 -0.08 -0.08 -0.07 0.10 0.10 -0.30 -0.05 -0.30 0.00 -0.00 0.07 -0.03 0.03 -0.01 0.00 -0.00 -0.03 -0.01 -0.02 0.10 0.01 -0.00 -0.06 -0.00 0.00 0.02 -0.00 -0.00 0.02 -0.00 0.01 -0.00 -0.02 0.03 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.04 0.01 0.28 -0.04 0.04 -0.02 -0.00 -0.02 -0.10 0.02 -0.01 -0.10 0.02 -0.06 0.12 0.06 0.06 -0.11 -0.01 0.02 0.09 -0.02 0.03 0.00 -0.06 -0.12 0.34 0.04 0.09 -0.21 -0.03 -0.05 0.21 -0.05 -0.09 0.21 0.05 0.05 -0.09 -0.02 0.05 0.02 -0.03 -0.03 -0.01 0.02 -0.05 -0.03 -0.03 -0.02 -0.01 0.03 0.02 -0.00 0.01 -0.04 -0.04 -0.01 0.04 0.01 0.03 -0.03 -0.04 0.01 -0.01 0.04 -0.00 0.08 -0.02 0.01 0.08 -0.02 0.01 -0.04 0.02 -0.03 -0.02 -0.08 0.11 0.07 -0.22 -0.05 -0.03 -0.08 -0.06 0.05 -0.02 0.01 -0.08 0.33 -0.07 0.06 0.06 -0.03 0.13 -0.42 -0.01 0.02 0.14 0.05 0.02 -0.04 0.03 -0.06 -0.04 0.03 -0.03 -0.00 0.06 -0.10 0.01 -0.04 -0.00 0.02 0.01 -0.05 0.01 -0.06 -0.04 -0.35 0.03 0.01 -0.01 0.03 0.01 -0.05 0.04 -0.00 -0.07 -0.02 -0.03 0.08 0.02 0.02 -0.08 0.00 0.01 0.07 0.03 -0.03 -0.01 -0.07 -0.07 0.23 0.01 0.04 -0.14 -0.03 0.02 0.17 -0.07 -0.02 0.14 -0.02 0.00 -0.07 -0.02 -0.01 0.00 -0.01 0.00 -0.01 0.02 -0.02 -0.02 -0.02 0.01 -0.01 0.02 0.00 0.02 0.02 -0.03 0.00 -0.03 0.02 0.02 -0.01 -0.02 -0.00 0.02 0.01 0.01 -0.00 -0.00 0.04 -0.04 0.01 0.03 0.02 -0.02 -0.02 -0.01 -0.03 -0.04 -0.08 0.01 0.15 0.06 0.07 -0.29 0.09 -0.04 0.02 0.00 0.10 -0.34 0.09 -0.06 -0.05 0.08 -0.15 0.48 0.01 -0.03 -0.15 -0.07 -0.03 0.05 -0.04 0.08 0.05 -0.03 0.04 0.00 -0.07 0.13 -0.01 0.06 0.00 -0.02 -0.01 0.07 -0.02 0.08 0.06 0.44 -0.02 0.06 -0.02 -0.01 -0.01 -0.04 -0.01 -0.04 -0.02 0.05 -0.06 -0.00 0.03 0.03 0.01 0.04 0.05 0.02 -0.04 -0.01 0.06 0.03 -0.07 0.05 -0.05 0.04 0.03 0.03 0.01 0.06 -0.01 -0.03 0.06 0.02 0.04 -0.03 -0.06 0.02 0.09 -0.05 0.09 0.07 -0.22 0.15 0.05 0.21 0.10 0.19 -0.24 -0.13 -0.24 -0.08 0.14 0.18 0.24 -0.19 -0.09 0.12 0.11 0.25 0.05 -0.08 -0.10 -0.18 -0.22 -0.21 0.08 -0.27 -0.14 0.03 0.17 0.23 -0.01 -0.01 -0.04 0.02 0.06 -0.01 -0.02 0.02 -0.16 0.01 0.00 0.02 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 0.04 0.00 -0.00 -0.02 -0.00 0.00 0.01 -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 -0.02 -0.00 0.11 0.02 -0.01 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.02 0.02 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.02 0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 0.02 -0.01 -0.02 0.02 -0.00 0.00 -0.01 -0.00 -0.01 -0.03 0.00 0.02 0.00 0.03 0.04 -0.15 -0.02 -0.00 0.03 0.35 -0.03 -0.07 -0.09 0.25 -0.03 -0.18 0.19 0.44 -0.05 0.07 -0.14 0.09 -0.00 0.05 -0.02 -0.12 0.03 0.09 -0.11 0.00 0.07 -0.18 -0.02 -0.05 -0.05 -0.03 0.12 -0.23 -0.00 -0.38 -0.31 0.29 -0.03 0.00 0.00 0.03 -0.02 0.00 0.06 -0.04 0.02 0.03 -0.02 -0.00 -0.01 0.06 0.02 -0.02 0.02 -0.01 0.07 -0.02 -0.02 -0.03 -0.07 -0.06 -0.02 0.06 0.01 -0.01 -0.01 -0.03 0.06 0.00 0.01 -0.00 -0.13 -0.02 -0.11 -0.04 -0.06 -0.23 0.04 -0.05 -0.04 -0.12 -0.14 -0.07 0.13 0.11 -0.01 -0.11 -0.13 0.14 -0.06 -0.05 -0.07 0.14 0.15 0.13 0.05 0.04 0.23 -0.04 0.05 -0.24 0.03 -0.09 -0.28 0.11 -0.01 0.24 -0.05 0.00 0.18 0.13 0.15 0.13 0.09 0.22 0.16 0.07 0.34 -0.01 -0.01 -0.07 0.09 0.01 -0.20 0.01 0.04 -0.00 -0.01 0.02 0.11 -0.02 0.02 0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 0.00 0.02 -0.03 0.00 0.01 -0.02 0.00 0.01 -0.03 0.00 -0.00 -0.04 -0.23 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.04 -0.00 0.01 -0.00 0.02 -0.01 0.00 -0.01 0.02 -0.04 0.02 -0.01 -0.00 -0.01 0.02 0.01 -0.01 -0.01 -0.00 -0.04 -0.08 0.06 0.02 0.05 -0.06 0.02 0.05 -0.05 -0.04 -0.10 0.08 0.15 0.35 -0.29 -0.04 -0.09 0.09 0.15 0.33 -0.31 0.03 0.06 -0.04 0.01 0.08 -0.06 0.02 0.08 -0.05 0.16 0.39 -0.35 0.02 -0.02 -0.03 0.06 0.06 -0.00 0.05 0.06 -0.27 0.00 0.01 0.03 -0.07 -0.02 0.15 -0.02 -0.02 0.01 -0.01 -0.00 -0.09 0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.02 0.02 0.16 -0.02 0.04 -0.00 -0.03 -0.00 -0.02 -0.04 -0.03 -0.01 0.04 -0.04 0.01 0.01 0.02 0.01 0.02 0.02 0.02 -0.05 0.03 -0.05 0.06 -0.02 -0.03 -0.04 0.04 -0.04 0.04 -0.00 -0.02 -0.04 -0.00 0.03 0.04 -0.02 -0.02 0.01 0.03 0.03 0.02 -0.02 0.02 0.01 0.02 0.01 0.02 -0.02 -0.03 -0.01 -0.01 0.05 0.03 0.14 -0.11 0.01 -0.06 0.00 0.05 0.11 -0.14 -0.03 0.02 -0.01 0.06 0.08 -0.05 0.10 0.06 -0.06 0.03 0.18 -0.14 -0.03 0.06 0.06 -0.04 -0.08 -0.10 -0.15 -0.14 0.65 -0.00 -0.03 -0.06 0.15 0.02 -0.31 0.04 0.03 -0.01 0.01 -0.01 0.23 -0.01 0.02 -0.03 -0.01 -0.03 0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.03 -0.03 -0.00 0.01 -0.01 -0.00 0.05 -0.05 -0.35 0.03 0.03 -0.04 -0.02 0.02 0.03 -0.04 -0.01 -0.01 -0.01 -0.02 0.02 0.00 -0.01 -0.02 0.05 0.03 0.04 -0.01 0.02 -0.13 0.04 0.03 -0.05 -0.04 0.01 -0.08 0.03 0.06 0.08 -0.03 0.01 -0.02 -0.00 -0.03 -0.00 0.00 -0.01 0.02 0.00 -0.01 0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.00 0.01 -0.02 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.02 -0.01 0.00 -0.01 0.02 -0.01 0.05 -0.08 0.06 -0.29 -0.07 0.75 0.02 0.04 -0.34 -0.03 0.01 -0.04 0.04 0.08 -0.29 0.01 0.04 -0.02 0.02 0.05 -0.10 -0.02 0.02 0.07 0.01 -0.01 -0.02 -0.00 -0.01 -0.02 0.01 -0.01 -0.00 0.03 -0.04 0.01 -0.00 -0.01 0.01 0.00 -0.02 0.00 0.05 0.05 -0.21 -0.02 -0.02 0.10 -0.00 0.00 0.01 0.00 0.01 -0.05 0.02 0.01 -0.07 0.01 0.00 -0.04 0.03 0.01 -0.07 -0.10 -0.09 0.40 -0.13 -0.10 0.55 -0.14 -0.09 0.54 -0.07 -0.03 0.31 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.02 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.02 -0.01 -0.00 0.00 0.01 0.03 -0.02 0.02 0.04 -0.04 0.01 0.04 -0.03 0.00 -0.01 0.01 -0.06 -0.02 0.12 -0.02 -0.01 -0.00 -0.01 0.00 -0.01 0.02 0.02 -0.07 0.00 0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.06 -0.08 0.01 -0.03 -0.06 -0.05 0.01 -0.01 -0.05 -0.03 0.10 -0.10 0.01 0.04 0.14 0.02 -0.06 0.04 -0.01 -0.05 0.06 0.01 0.01 -0.18 0.05 -0.06 0.15 0.08 -0.04 -0.11 0.05 0.00 0.03 -0.01 -0.06 -0.02 -0.01 -0.03 -0.03 -0.05 -0.02 -0.12 0.10 0.05 0.08 -0.01 0.04 0.02 -0.07 0.04 0.04 0.05 -0.02 -0.04 0.07 0.02 -0.03 -0.03 -0.03 -0.06 0.01 -0.02 0.08 -0.07 -0.03 -0.35 0.34 -0.05 -0.35 0.30 -0.17 -0.31 0.25 0.10 0.08 0.04 0.08 0.04 0.03 0.28 0.14 -0.02 0.00 0.00 0.00 -0.03 -0.01 0.08 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.05 0.09 0.05 -0.09 -0.05 0.01 0.16 -0.10 0.07 -0.06 -0.09 0.06 0.04 0.01 -0.06 -0.09 0.12 0.04 0.05 -0.07 0.09 -0.20 0.00 0.15 0.19 -0.07 -0.08 0.09 -0.00 0.13 0.40 0.07 -0.05 -0.05 0.06 -0.04 0.01 0.02 -0.02 0.00 -0.05 -0.08 0.07 0.01 0.02 -0.07 -0.00 0.05 -0.01 -0.02 -0.02 -0.03 -0.01 -0.07 0.02 -0.03 0.03 0.03 0.01 0.02 0.00 0.05 0.04 -0.03 -0.15 -0.23 0.18 -0.14 -0.17 0.17 -0.04 -0.19 0.17 -0.06 -0.03 -0.03 0.12 0.07 -0.25 -0.36 -0.17 0.20 0.00 -0.00 0.01 0.01 -0.02 0.07 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.03 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.01 0.01 -0.20 -0.05 -0.08 0.22 0.11 -0.03 -0.04 0.03 -0.05 0.07 0.03 0.05 -0.10 -0.11 -0.06 -0.01 0.17 0.04 -0.28 -0.07 -0.15 0.14 0.02 -0.01 0.17 -0.22 -0.21 0.46 0.00 0.06 -0.08 -0.03 0.05 0.01 -0.02 0.01 0.06 0.03 0.07 -0.06 -0.01 -0.01 0.03 -0.00 -0.03 0.02 -0.01 -0.00 0.01 0.00 0.02 -0.01 0.01 -0.02 -0.00 0.02 0.03 -0.03 -0.03 -0.04 0.03 0.09 0.20 -0.17 0.11 0.19 -0.19 0.08 0.23 -0.18 0.02 0.05 0.02 -0.03 -0.07 -0.05 0.20 0.07 0.06 0.00 0.00 0.01 -0.02 -0.02 0.08 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.03 -0.01 -0.03 -0.00 0.05 -0.02 -0.00 0.18 -0.02 0.05 -0.00 0.03 0.00 -0.03 -0.09 -0.03 -0.12 -0.14 -0.06 0.22 -0.12 0.02 -0.06 -0.03 -0.02 0.14 -0.16 0.04 -0.12 -0.20 -0.04 -0.06 0.04 0.02 0.05 0.19 0.04 0.06 0.14 0.03 -0.05 -0.10 0.09 -0.01 0.00 -0.07 0.00 0.03 -0.03 -0.03 -0.02 -0.05 0.00 -0.00 -0.06 -0.01 0.02 0.02 0.02 0.03 -0.04 0.05 0.05 -0.03 -0.20 -0.22 0.17 -0.11 -0.20 0.20 -0.06 -0.22 0.25 -0.07 -0.04 -0.01 -0.24 -0.13 0.19 -0.13 -0.09 0.14 -0.02 -0.01 -0.01 0.07 0.06 -0.27 0.02 0.02 -0.03 0.01 0.01 0.08 -0.01 0.01 0.03 -0.01 -0.02 -0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 0.06 0.01 -0.21 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.01 0.02 -0.03 0.00 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.00 0.03 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.03 0.03 -0.01 0.10 0.05 -0.25 -0.02 -0.00 0.11 0.04 -0.05 0.03 -0.06 0.06 -0.27 0.03 0.05 -0.20 -0.13 -0.03 0.47 -0.03 -0.01 0.32 -0.01 -0.01 -0.06 0.00 0.01 -0.08 0.01 -0.01 -0.01 0.05 -0.05 0.02 0.02 -0.02 0.04 -0.04 0.04 0.02 -0.09 -0.02 0.64 0.01 0.00 -0.02 -0.01 -0.00 0.02 0.01 0.00 -0.02 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.02 0.09 -0.02 -0.01 0.10 0.01 -0.00 -0.02 0.02 0.04 -0.11 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.06 0.05 0.02 0.05 -0.05 -0.02 -0.05 0.04 0.17 0.41 -0.31 0.02 0.05 -0.04 -0.15 -0.36 0.32 -0.00 0.01 -0.00 0.12 0.31 -0.27 -0.12 -0.32 0.29 -0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 0.01 0.01 -0.02 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.07 0.02 0.01 -0.08 -0.02 -0.02 0.09 -0.01 -0.01 0.05 0.01 0.00 -0.04 0.03 0.02 -0.10 0.11 0.11 -0.48 0.10 0.07 -0.34 -0.07 -0.05 0.25 -0.16 -0.06 0.59 -0.00 -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.01 0.02 0.04 0.08 -0.05 0.01 0.01 -0.01 -0.04 -0.09 0.08 -0.01 0.00 0.00 0.04 0.09 -0.07 -0.02 -0.08 0.07 0.00 0.02 -0.01 0.00 -0.01 0.00 0.04 0.03 -0.03 0.01 0.02 -0.07 -0.03 0.01 -0.00 0.01 -0.02 0.06 -0.02 0.03 0.01 -0.06 0.04 -0.01 0.05 0.01 -0.00 -0.06 -0.05 -0.01 0.06 0.04 0.01 0.01 -0.03 -0.00 -0.00 0.06 0.01 0.15 -0.09 0.01 -0.00 0.06 -0.00 -0.08 -0.05 0.01 -0.01 -0.01 0.04 0.01 0.01 -0.05 -0.02 -0.01 0.05 -0.00 -0.01 0.04 0.00 0.00 -0.02 0.02 0.01 -0.07 0.07 0.07 -0.30 0.07 0.05 -0.24 -0.04 -0.03 0.14 -0.10 -0.05 0.38 -0.01 -0.00 0.02 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.05 -0.04 0.00 0.01 -0.01 -0.02 -0.05 0.04 -0.00 0.00 0.00 0.01 0.05 -0.04 -0.02 -0.05 0.04 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.03 -0.03 -0.02 0.00 -0.01 0.08 0.08 -0.03 0.01 -0.07 0.04 -0.13 0.05 -0.08 0.00 0.17 -0.11 -0.06 -0.13 -0.02 -0.01 0.18 0.15 0.02 -0.16 -0.11 -0.02 -0.02 0.08 0.00 0.00 -0.19 -0.03 -0.42 0.26 -0.02 0.00 -0.19 0.01 0.26 0.16 0.02 0.01 -0.02 -0.00 -0.01 -0.01 -0.01 -0.07 0.00 -0.01 0.01 -0.00 -0.00 0.02 0.04 0.01 -0.02 -0.00 -0.00 -0.09 0.06 -0.03 0.04 0.02 0.04 0.02 0.03 0.03 -0.01 -0.02 -0.02 0.02 0.01 0.00 0.10 -0.06 0.02 0.07 -0.01 0.02 0.04 -0.00 0.01 -0.01 -0.03 -0.01 -0.02 -0.00 0.02 -0.03 -0.02 -0.04 0.02 0.08 -0.10 -0.03 0.04 0.02 0.02 0.09 -0.05 0.02 0.01 -0.01 -0.08 -0.00 -0.03 -0.07 0.01 0.02 -0.02 -0.08 0.08 -0.13 0.07 -0.01 -0.44 -0.45 -0.13 0.59 0.23 -0.10 0.01 -0.01 -0.00 -0.05 0.02 -0.06 -0.01 0.01 0.02 -0.04 0.05 -0.14 -0.00 0.02 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 0.00 0.03 -0.02 0.00 0.01 -0.00 -0.00 0.02 0.04 0.11 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.02 0.01 0.02 -0.04 0.01 0.01 -0.01 -0.01 -0.00 0.03 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.06 -0.08 0.01 0.15 0.07 -0.16 -0.05 0.07 0.03 0.16 -0.10 0.43 0.01 -0.04 -0.08 0.13 -0.18 0.61 0.02 -0.05 0.01 0.03 0.01 0.00 0.00 0.01 -0.01 -0.03 0.04 -0.00 -0.03 0.03 -0.00 -0.05 0.05 -0.00 -0.03 0.03 -0.00 -0.13 -0.15 -0.46 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.02 -0.01 0.01 -0.00 -0.00 -0.02 -0.02 0.01 0.00 0.01 0.04 0.00 -0.06 -0.01 0.00 0.01 -0.02 -0.03 0.06 -0.00 0.05 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.03 0.01 0.01 0.01 0.06 -0.06 -0.02 -0.08 0.07 -0.02 -0.08 0.06 0.01 0.02 0.00 0.20 0.44 -0.31 0.02 -0.01 -0.01 0.18 0.37 -0.35 0.01 0.07 -0.06 -0.01 -0.07 0.07 0.04 -0.01 0.00 -0.17 -0.38 0.35 0.02 -0.01 0.01 0.07 0.06 -0.00 -0.04 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.03 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.02 -0.01 0.00 0.03 0.01 0.02 -0.11 -0.00 -0.02 0.07 -0.01 0.00 0.07 0.00 0.01 -0.09 -0.16 -0.11 0.57 0.12 0.07 -0.38 0.12 0.08 -0.41 -0.14 -0.06 0.44 0.00 0.01 -0.01 -0.00 0.00 0.00 0.02 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.02 0.04 -0.03 -0.01 0.01 0.00 0.02 0.05 -0.04 0.00 0.01 -0.01 0.00 0.03 -0.04 -0.02 -0.01 0.02 -0.02 -0.05 0.04 0.00 -0.01 -0.01 -0.02 0.01 0.05 -0.07 -0.04 0.06 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.00 0.00 0.00 -0.00 0.01 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.05 -0.10 0.10 -0.00 -0.00 -0.09 0.00 0.16 0.03 0.01 -0.11 0.10 0.01 -0.04 -0.14 -0.01 0.13 0.03 0.01 0.14 -0.13 0.22 -0.09 0.11 -0.09 0.03 -0.12 -0.17 0.08 0.03 0.18 0.02 -0.10 -0.02 0.04 -0.07 -0.00 -0.15 0.11 -0.02 -0.13 0.01 0.01 0.03 0.00 -0.02 0.03 -0.00 -0.02 0.06 0.06 0.09 0.01 -0.08 0.07 0.08 -0.09 -0.07 0.03 -0.10 0.03 -0.05 0.01 0.00 0.11 0.01 0.10 0.16 -0.10 -0.01 -0.02 0.10 -0.04 -0.03 0.10 0.04 -0.16 -0.19 -0.10 0.59 0.24 -0.04 0.00 -0.00 0.00 -0.02 0.01 -0.03 0.00 0.00 0.01 -0.01 0.01 -0.03 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -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 0.01 0.01 -0.00 -0.02 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 0.01 -0.07 -0.02 -0.02 0.10 0.01 0.01 -0.05 0.00 -0.01 0.02 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.03 0.01 0.01 0.03 -0.01 0.01 0.03 -0.02 0.05 0.09 -0.08 -0.00 -0.02 0.01 -0.04 -0.09 0.10 -0.02 -0.00 0.00 -0.06 -0.13 0.12 0.05 0.10 -0.10 -0.00 0.03 -0.03 0.02 0.03 -0.08 -0.29 -0.10 0.36 -0.07 -0.12 0.37 -0.01 0.04 -0.08 0.10 -0.08 0.22 0.00 -0.02 0.02 0.19 -0.04 -0.10 0.02 -0.05 0.01 0.03 -0.00 0.00 0.00 0.01 -0.00 -0.03 0.03 -0.00 -0.03 0.03 -0.00 -0.04 0.04 0.00 -0.03 0.04 -0.00 -0.37 -0.22 0.42 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.03 -0.01 -0.06 -0.04 -0.02 0.06 0.01 0.01 -0.03 0.02 -0.03 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.07 -0.03 -0.03 -0.07 0.03 -0.02 -0.07 0.06 -0.16 -0.29 0.24 0.02 0.06 -0.05 0.13 0.27 -0.29 0.03 0.01 -0.01 0.18 0.38 -0.34 -0.13 -0.31 0.27 -0.00 -0.08 0.06 0.01 0.01 -0.03 -0.10 -0.03 0.13 -0.03 -0.04 0.14 -0.00 0.02 -0.03 0.04 -0.03 0.09 0.00 -0.01 0.01 0.07 -0.01 -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 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.14 -0.08 0.15 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.03 -0.01 0.04 0.04 0.00 -0.09 -0.02 -0.01 0.09 -0.01 0.00 -0.05 0.04 0.08 -0.28 -0.10 -0.10 0.49 0.14 0.10 -0.51 -0.09 -0.03 0.24 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.08 -0.13 -0.12 0.07 0.10 0.16 0.01 0.02 0.04 0.01 -0.17 -0.17 0.01 -0.02 -0.03 0.02 0.17 0.16 -0.15 0.03 -0.04 -0.04 0.08 0.02 -0.06 -0.05 -0.04 -0.16 0.02 -0.03 -0.00 -0.01 -0.01 -0.02 -0.01 0.02 -0.06 -0.03 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.03 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.05 -0.03 -0.01 0.09 0.03 0.04 -0.09 -0.02 -0.02 0.05 -0.07 -0.11 0.26 0.11 0.09 -0.50 -0.12 -0.08 0.56 0.10 -0.03 -0.31 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.06 -0.08 -0.09 0.04 0.06 0.12 0.00 0.01 0.04 -0.04 -0.18 -0.07 0.01 -0.00 -0.03 0.04 0.17 0.06 -0.10 0.02 -0.02 -0.00 0.10 -0.03 -0.07 -0.11 0.03 -0.10 0.03 -0.04 -0.01 -0.01 0.01 0.02 0.00 -0.04 -0.02 0.00 -0.05 0.00 -0.01 0.01 -0.01 0.01 -0.04 -0.00 0.00 -0.00 -0.03 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.05 0.03 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.03 0.00 0.02 0.00 0.02 -0.01 -0.00 -0.02 -0.02 0.04 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.02 -0.04 0.03 0.02 0.05 -0.05 0.08 0.15 -0.09 0.03 0.08 -0.06 0.10 0.19 -0.19 -0.03 -0.07 0.06 -0.13 -0.33 0.27 -0.14 -0.39 0.38 0.16 0.41 -0.37 0.00 -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 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.00 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 0.02 0.01 -0.05 -0.18 -0.07 0.26 -0.06 -0.08 0.19 0.07 -0.02 -0.03 -0.41 -0.12 0.52 0.00 0.01 -0.02 -0.38 0.05 0.26 -0.02 0.06 -0.01 -0.04 0.02 -0.00 -0.01 -0.01 -0.00 0.05 -0.05 0.00 0.04 -0.05 -0.01 0.04 -0.04 -0.00 0.05 -0.06 0.00 0.31 0.24 -0.02 0.01 0.01 0.01 -0.02 -0.01 -0.01 0.05 0.09 0.02 0.14 -0.08 0.03 -0.08 -0.13 -0.05 -0.08 0.06 -0.00 -0.10 0.56 0.14 0.30 0.05 0.03 -0.30 -0.10 -0.03 -0.20 0.54 -0.05 -0.01 -0.01 -0.01 0.00 -0.02 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.02 -0.00 0.01 0.01 0.00 0.00 0.02 -0.12 -0.08 -0.02 -0.00 -0.01 -0.01 -0.05 0.03 0.03 0.02 -0.00 -0.00 -0.01 0.08 -0.01 -0.05 -0.01 -0.06 0.01 -0.04 0.01 -0.00 0.00 0.00 0.02 0.03 0.01 0.09 0.01 0.02 0.00 0.00 -0.00 -0.02 -0.01 0.04 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 0.01 0.02 -0.01 0.00 0.02 0.02 0.01 -0.03 -0.02 -0.01 -0.00 -0.00 -0.00 0.02 0.03 0.01 -0.01 -0.01 -0.01 -0.01 -0.09 -0.03 -0.00 0.00 0.01 0.08 0.02 0.01 -0.01 -0.05 0.01 0.01 0.01 0.01 0.02 0.00 0.00 0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.06 -0.01 -0.02 -0.07 0.02 0.00 0.02 0.11 0.12 -0.28 0.01 -0.25 0.03 -0.11 -0.12 -0.40 0.26 0.06 0.16 -0.03 0.04 -0.33 0.28 0.24 -0.27 -0.21 -0.31 0.19 0.00 0.05 -0.01 -0.01 -0.00 -0.03 -0.04 -0.02 -0.06 -0.02 -0.02 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.03 -0.00 -0.08 -0.14 -0.05 0.05 0.01 0.01 -0.07 0.04 -0.01 -0.02 0.01 -0.00 0.12 0.02 0.03 -0.03 0.26 0.06 -0.26 -0.14 -0.09 -0.12 0.05 -0.02 0.14 0.00 0.05 -0.09 -0.06 -0.04 -0.07 0.06 -0.01 0.08 -0.00 0.02 0.14 -0.02 0.03 0.05 -0.04 -0.02 -0.04 0.02 0.01 -0.06 -0.02 -0.06 0.05 -0.03 -0.04 -0.01 0.02 0.01 -0.42 0.28 0.09 0.02 0.02 0.03 -0.26 0.09 -0.02 -0.03 0.01 0.01 0.01 0.15 0.18 0.04 0.04 0.01 0.17 0.29 0.13 0.32 0.06 0.17 0.00 -0.00 -0.01 -0.03 -0.01 0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.04 -0.00 0.02 0.00 0.03 0.06 0.02 -0.01 0.00 -0.00 0.03 -0.02 0.00 -0.01 -0.01 -0.00 -0.04 -0.01 -0.01 0.02 -0.08 -0.01 0.10 0.05 0.04 -0.03 -0.01 -0.00 -0.03 -0.05 -0.04 0.01 0.03 0.01 0.01 -0.06 -0.01 -0.01 0.03 -0.01 -0.03 0.03 0.03 0.09 -0.03 -0.01 -0.08 -0.02 -0.05 -0.04 -0.03 -0.05 0.41 -0.04 0.27 0.05 -0.04 -0.02 -0.40 0.17 0.01 -0.01 0.05 0.05 -0.16 0.06 -0.05 0.31 0.00 0.14 -0.03 0.36 0.40 -0.00 -0.02 0.01 -0.01 -0.08 -0.08 -0.14 -0.01 -0.10 -0.00 0.00 -0.01 -0.02 -0.01 0.05 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.01 0.04 0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.02 -0.01 -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.02 -0.02 0.03 0.04 0.02 0.13 -0.03 0.03 -0.05 0.14 0.00 0.02 -0.02 0.00 -0.01 0.03 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.00 0.03 0.01 -0.00 -0.00 -0.03 0.02 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.04 0.00 0.02 -0.00 0.02 0.03 -0.01 0.00 -0.02 -0.02 0.06 0.09 0.09 -0.01 0.10 0.04 -0.03 0.02 -0.18 0.02 -0.02 -0.05 0.13 -0.01 -0.56 0.25 -0.00 0.04 -0.07 -0.01 0.21 -0.20 0.01 -0.00 0.01 0.00 -0.23 0.14 -0.01 -0.19 0.27 0.04 0.10 -0.02 -0.00 -0.15 0.25 -0.06 0.26 0.19 -0.09 0.05 -0.03 0.01 0.02 -0.06 -0.01 -0.07 -0.05 -0.02 0.00 0.04 0.01 0.06 -0.00 0.01 -0.06 0.04 -0.01 -0.03 -0.19 -0.07 0.16 0.19 0.08 0.54 -0.14 0.13 -0.19 0.54 0.01 0.02 -0.06 -0.00 -0.04 0.07 0.00 -0.03 -0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.00 0.00 -0.02 0.00 -0.00 0.01 -0.01 -0.00 0.05 -0.03 0.06 0.02 -0.01 0.00 -0.07 0.04 0.00 -0.01 0.01 0.00 0.05 -0.02 -0.02 0.09 0.01 0.05 -0.01 0.05 0.05 -0.01 0.02 -0.02 0.00 0.14 0.15 0.23 0.01 0.18 -0.00 0.00 0.02 0.10 0.03 -0.10 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 0.01 -0.02 0.00 -0.03 0.04 -0.00 0.00 0.00 0.00 0.04 -0.03 0.00 0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.02 -0.02 0.01 0.02 0.00 -0.08 0.03 -0.05 -0.00 0.02 0.01 0.01 -0.01 0.06 0.01 -0.04 -0.06 -0.02 0.01 0.03 0.01 0.02 -0.01 0.00 -0.15 0.56 0.07 -0.42 -0.42 -0.19 0.04 0.02 0.02 0.04 -0.04 0.00 0.08 0.01 0.03 0.03 0.07 0.02 -0.05 -0.07 -0.03 -0.07 0.02 -0.03 0.01 0.00 0.01 -0.02 -0.00 -0.01 0.01 0.01 0.02 0.20 0.03 0.15 0.03 -0.02 -0.01 0.02 -0.01 -0.03 -0.01 0.01 0.00 0.02 0.01 0.01 0.09 -0.01 0.03 -0.01 0.05 0.05 -0.05 -0.02 -0.05 -0.12 -0.01 0.10 0.05 -0.05 0.13 0.00 0.00 0.05 0.14 0.05 -0.17 -0.03 -0.00 -0.02 -0.06 0.00 -0.01 0.02 -0.04 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.00 -0.00 0.04 -0.00 0.01 -0.01 0.01 -0.01 0.03 0.00 0.07 0.03 -0.14 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 -0.01 0.03 0.01 -0.05 -0.05 -0.02 0.07 -0.02 0.02 -0.01 0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.03 -0.02 -0.01 -0.09 -0.02 -0.08 -0.04 -0.01 -0.03 0.20 -0.13 -0.05 -0.00 0.04 0.05 0.33 -0.21 -0.07 -0.44 -0.09 -0.29 -0.01 0.45 0.50 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.01 -0.00 0.03 0.03 0.01 -0.05 0.02 -0.01 0.01 -0.03 -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 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.07 0.00 0.00 -0.00 -0.01 -0.01 0.14 -0.51 0.36 -0.21 0.02 0.02 -0.33 0.54 -0.35 -0.15 -0.00 -0.00 -0.00 -0.02 0.02 -0.00 -0.02 0.01 -0.00 0.01 0.01 0.00 -0.03 -0.03 -0.01 0.05 -0.03 0.01 -0.01 0.02 0.00 -0.04 0.16 0.04 -0.35 -0.35 -0.16 0.56 -0.17 0.12 -0.09 0.30 0.02 -0.04 0.05 -0.00 0.01 -0.07 -0.01 0.02 0.05 0.02 0.02 -0.00 0.02 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.15 -0.03 -0.10 0.00 0.01 0.01 -0.07 0.03 0.02 0.00 -0.01 -0.01 0.02 -0.02 -0.01 0.10 0.03 0.08 0.00 -0.07 -0.08 0.04 0.00 0.03 0.01 -0.15 -0.13 -0.23 0.01 -0.17 -0.01 -0.01 -0.03 -0.10 -0.03 0.09 0.02 0.00 0.01 0.07 -0.01 0.01 -0.01 0.03 0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.04 0.01 -0.02 -0.01 0.01 -0.03 0.05 -0.05 -0.01 -0.05 -0.02 0.07 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.03 -0.01 0.03 0.03 0.01 -0.12 0.04 -0.03 0.02 -0.06 0.01 0.02 -0.00 0.01 0.01 0.02 0.00 -0.02 -0.02 -0.01 0.00 -0.01 -0.01 -0.05 -0.01 -0.02 -0.03 0.02 0.01 0.04 -0.02 -0.01 -0.40 -0.03 -0.30 0.03 0.01 0.03 -0.39 0.25 0.09 0.01 0.00 0.01 0.49 -0.30 -0.10 0.30 0.07 0.21 0.01 0.05 0.06 -0.00 0.00 -0.01 -0.05 -0.05 0.00 -0.03 -0.01 0.01 0.00 0.00 0.01 0.03 0.01 -0.03 -0.01 -0.00 -0.00 -0.02 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 0.00 -0.00 0.02 -0.00 0.02 0.01 -0.03 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.02 -0.03 -0.00 0.00 0.00 -0.00 0.02 -0.01 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.02 0.00 -0.03 -0.00 -0.02 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.03 -0.05 -0.01 -0.05 -0.00 -0.01 0.01 -0.00 0.00 0.05 -0.00 -0.00 -0.01 -0.02 -0.00 0.14 -0.06 0.01 -0.03 0.03 0.00 0.06 0.10 0.01 -0.03 -0.03 -0.00 -0.08 -0.14 -0.01 -0.02 0.45 0.15 0.54 -0.43 0.03 0.00 0.45 -0.11 0.03 0.02 0.01 0.03 0.05 0.01 0.06 0.08 0.03 -0.02 0.01 -0.01 -0.00 -0.03 -0.01 0.01 -0.01 0.00 -0.04 -0.02 -0.02 -0.05 0.11 0.01 -0.05 -0.08 -0.03 0.12 -0.04 0.02 0.03 -0.30 -0.03 -0.01 -0.00 -0.02 -0.01 -0.10 -0.02 0.03 0.09 0.03 -0.02 0.01 0.02 -0.02 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.12 -0.01 -0.09 0.00 -0.00 -0.00 0.02 -0.03 -0.00 0.00 -0.00 -0.00 0.04 -0.03 -0.00 0.08 0.01 0.05 0.01 -0.04 -0.05 -0.09 -0.08 -0.04 0.26 0.60 0.21 0.50 -0.05 0.22 0.00 0.00 -0.01 0.01 -0.01 0.04 0.00 -0.01 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 -0.01 -0.01 0.00 -0.00 0.02 0.01 0.04 -0.03 0.00 0.01 0.02 -0.01 -0.00 0.01 0.02 0.16 -0.10 0.03 -0.01 -0.06 -0.02 -0.05 -0.04 -0.02 0.01 0.03 0.01 -0.04 0.07 0.00 0.02 -0.06 -0.00 -0.14 0.22 0.04 0.03 0.06 0.02 -0.13 0.11 -0.02 -0.00 0.08 -0.00 -0.11 -0.00 -0.04 0.08 0.07 0.03 0.02 0.00 0.01 -0.16 0.03 -0.03 -0.03 0.00 -0.01 -0.03 0.01 -0.00 0.04 0.02 0.04 0.08 0.02 0.09 0.04 -0.03 -0.02 0.08 -0.06 -0.04 -0.00 0.00 0.00 0.21 -0.08 0.00 0.21 -0.01 0.09 0.00 -0.00 -0.00 0.01 0.00 0.04 0.13 0.09 -0.08 0.08 0.06 -0.09 -0.04 -0.06 -0.07 -0.44 -0.09 0.20 0.07 0.04 0.03 0.52 -0.06 0.08 -0.04 0.11 -0.00 0.03 -0.04 0.00 0.00 -0.01 -0.00 -0.04 0.01 -0.00 0.01 -0.01 0.03 0.10 -0.06 0.01 0.02 -0.00 -0.03 -0.08 -0.04 0.11 -0.13 -0.01 -0.04 -0.05 0.07 -0.00 0.05 0.04 0.02 0.01 -0.03 -0.00 0.03 -0.02 0.00 0.02 0.03 0.01 0.22 -0.50 -0.06 -0.10 -0.14 -0.05 -0.07 0.01 -0.02 -0.06 0.34 0.03 -0.02 0.08 0.00 0.14 0.02 0.04 -0.05 -0.12 -0.04 0.03 -0.02 -0.01 0.01 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.06 0.00 0.05 -0.01 0.01 0.01 -0.08 0.06 0.02 -0.00 0.00 0.00 -0.03 0.01 -0.00 -0.08 -0.00 -0.03 -0.00 0.02 0.02 -0.07 -0.06 -0.02 0.14 0.33 0.09 0.22 -0.05 0.09 -0.03 -0.06 -0.01 -0.29 -0.03 0.02 0.02 0.07 0.01 0.36 -0.01 0.05 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.02 -0.01 0.06 0.01 0.06 0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 -0.03 0.02 -0.00 -0.07 0.20 0.02 0.06 0.06 0.03 0.13 -0.06 0.02 0.05 -0.27 -0.02 0.10 -0.07 0.01 -0.11 0.01 -0.03 -0.01 0.01 -0.00 0.05 -0.02 -0.01 0.01 0.00 0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.01 -0.07 0.05 0.02 -0.00 -0.00 -0.00 -0.03 0.00 -0.01 -0.09 -0.00 -0.04 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.10 -0.15 -0.01 -0.03 0.01 -0.01 -0.05 -0.11 -0.01 -0.55 -0.02 -0.05 0.01 0.14 0.01 0.61 0.01 0.09 0.02 -0.07 -0.00 -0.01 0.02 0.00 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.02 -0.01 -0.05 0.03 0.00 -0.02 0.02 0.01 0.07 0.01 -0.11 -0.03 0.08 0.00 0.03 0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.03 -0.01 -0.02 0.04 0.00 -0.04 0.15 0.04 0.07 0.07 0.03 0.23 -0.10 0.04 0.05 -0.22 -0.02 0.04 -0.02 0.01 -0.01 0.04 0.01 -0.03 -0.06 -0.02 0.03 -0.08 -0.08 -0.00 0.02 0.02 0.03 -0.00 0.01 -0.04 0.02 0.01 0.24 0.06 0.18 0.02 0.03 0.04 -0.28 0.21 0.08 -0.00 0.00 -0.00 0.18 -0.10 -0.04 -0.29 -0.03 -0.16 -0.00 -0.06 -0.07 -0.01 -0.00 -0.01 -0.04 -0.01 0.02 0.02 -0.02 0.03 0.01 0.02 -0.00 0.30 -0.04 0.06 -0.03 -0.09 -0.01 0.29 -0.18 0.03 -0.06 0.24 0.01 0.02 -0.11 -0.00 0.02 -0.03 -0.00 -0.04 0.05 -0.00 0.04 -0.16 0.01 0.14 -0.05 0.01 0.04 -0.16 -0.02 0.10 0.13 0.09 -0.02 -0.06 -0.02 -0.01 0.03 0.00 -0.01 0.04 0.00 0.02 0.00 0.01 0.03 0.01 0.01 0.02 -0.04 -0.00 0.06 -0.19 -0.02 -0.14 -0.15 -0.06 -0.26 0.10 -0.05 -0.06 0.25 0.02 0.10 -0.04 0.02 -0.09 0.01 -0.02 -0.00 0.03 0.00 0.02 0.07 0.08 0.02 -0.01 0.00 -0.02 -0.00 -0.01 0.03 -0.03 -0.02 -0.30 -0.07 -0.23 -0.03 -0.01 -0.03 0.26 -0.18 -0.08 0.00 -0.01 -0.01 -0.26 0.14 0.04 0.24 0.04 0.15 -0.00 0.10 0.11 -0.01 0.01 -0.02 -0.09 -0.06 0.04 0.02 -0.01 0.05 -0.00 -0.01 0.01 0.15 -0.03 0.00 -0.05 -0.02 -0.01 0.35 -0.13 0.04 -0.03 0.12 0.01 0.01 -0.06 -0.00 0.02 -0.01 0.00 -0.02 0.03 -0.00 0.01 -0.09 -0.00 0.07 -0.02 0.01 0.01 -0.10 -0.00 0.15 0.14 0.02 -0.05 0.03 -0.01 0.03 -0.11 -0.01 0.03 -0.06 -0.00 -0.07 -0.01 -0.02 -0.01 -0.01 -0.01 0.00 0.08 0.01 -0.08 0.33 0.05 0.30 0.35 0.14 0.27 -0.09 0.05 0.10 -0.26 -0.01 -0.02 0.13 0.02 0.05 0.01 0.02 -0.02 -0.08 -0.03 0.01 0.06 0.06 0.02 -0.01 0.01 -0.02 0.01 -0.00 0.04 -0.03 -0.02 -0.25 -0.04 -0.20 -0.04 -0.01 -0.03 0.22 -0.14 -0.06 0.00 -0.01 -0.01 -0.24 0.13 0.05 0.25 0.04 0.16 -0.00 0.13 0.14 -0.01 -0.03 -0.02 0.03 0.07 0.03 -0.06 -0.05 0.01 -0.00 -0.00 0.00 0.04 -0.01 0.00 -0.02 -0.00 -0.00 0.07 -0.02 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.04 0.04 0.00 -0.02 -0.04 -0.01 0.00 -0.06 -0.01 0.01 -0.01 0.00 -0.03 0.00 -0.01 0.03 0.01 0.01 0.01 0.01 0.00 -0.01 0.04 0.00 0.06 0.10 0.03 -0.08 0.04 -0.01 -0.01 0.11 0.00 0.03 0.07 0.02 -0.03 -0.02 -0.01 0.02 0.02 0.02 -0.01 0.12 0.12 -0.19 -0.04 -0.13 0.20 -0.13 -0.05 0.13 -0.08 -0.03 0.37 0.06 0.26 -0.12 -0.03 -0.08 -0.33 0.22 0.07 -0.01 0.16 0.18 0.07 -0.06 -0.01 -0.09 -0.02 -0.06 0.01 -0.33 -0.38 -0.01 -0.02 -0.02 -0.01 0.01 0.03 -0.04 -0.03 0.02 -0.00 -0.01 0.01 0.06 -0.02 -0.00 -0.04 0.01 -0.01 0.13 -0.03 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.09 0.09 0.01 -0.05 -0.09 -0.03 -0.05 -0.18 -0.05 0.03 -0.04 -0.00 -0.05 0.05 -0.00 0.05 0.02 0.02 0.04 -0.02 0.01 0.00 0.04 -0.00 0.08 0.19 0.05 -0.26 0.12 -0.04 -0.05 0.36 0.04 0.12 0.24 0.07 -0.07 -0.12 -0.05 0.11 0.13 0.06 -0.07 -0.07 -0.08 0.03 0.00 0.01 -0.08 0.05 0.01 -0.09 0.07 0.04 0.16 0.01 0.13 0.11 0.00 0.05 -0.01 -0.03 0.01 0.01 -0.04 -0.04 0.33 -0.17 -0.06 -0.14 -0.05 -0.12 0.01 -0.07 -0.06 -0.05 -0.07 -0.05 -0.01 0.10 0.08 -0.07 -0.11 0.05 -0.00 -0.03 0.02 0.15 -0.04 -0.00 -0.09 0.03 -0.01 0.27 -0.05 0.03 0.01 -0.04 0.00 -0.01 0.01 -0.00 0.02 0.01 0.00 0.01 -0.00 0.00 -0.03 0.03 -0.02 -0.06 0.03 -0.00 -0.03 0.03 0.02 0.22 0.20 0.01 -0.01 0.05 0.01 -0.07 -0.01 -0.02 0.02 -0.10 -0.02 0.05 0.08 0.03 -0.07 0.03 -0.01 0.05 -0.08 -0.00 -0.04 0.10 0.02 -0.06 -0.02 -0.01 0.05 -0.01 0.01 -0.02 0.19 0.02 0.13 0.06 0.05 -0.05 -0.00 -0.01 -0.02 -0.02 -0.01 0.02 0.00 0.01 0.00 0.00 0.01 0.02 -0.01 -0.00 0.01 -0.01 -0.01 -0.03 -0.01 -0.02 -0.01 0.00 -0.00 -0.03 0.02 0.01 -0.00 0.01 0.00 -0.05 0.02 0.00 -0.02 0.00 -0.00 -0.01 0.00 0.00 -0.06 -0.04 -0.02 -0.02 0.06 0.02 0.05 -0.04 0.01 0.01 0.04 0.02 -0.45 0.16 -0.14 0.13 -0.04 0.02 -0.28 0.06 -0.05 -0.02 0.07 -0.00 0.01 -0.01 0.00 -0.03 -0.01 -0.00 -0.02 0.01 -0.00 0.05 -0.08 0.04 0.14 -0.07 0.01 0.06 -0.08 -0.04 -0.42 -0.48 -0.20 -0.08 -0.13 -0.05 0.13 -0.06 0.02 -0.03 0.16 0.02 -0.13 -0.12 -0.06 0.19 -0.04 0.04 -0.06 0.14 0.01 0.05 -0.11 -0.01 0.12 0.13 0.05 -0.25 0.08 -0.04 -0.00 -0.07 -0.00 -0.01 -0.02 -0.00 -0.04 0.02 -0.01 0.05 0.03 0.02 -0.03 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.01 0.01 0.01 0.05 0.01 0.03 0.02 -0.01 0.00 0.04 -0.03 -0.01 0.00 -0.00 -0.00 0.08 -0.04 -0.01 0.01 -0.01 -0.01 0.01 -0.02 -0.02 0.01 0.01 0.00 -0.01 -0.02 -0.00 -0.01 0.00 0.01 0.01 0.03 0.02 -0.39 0.14 -0.13 0.11 -0.04 0.01 -0.21 0.04 -0.04 -0.01 0.07 0.00 0.00 -0.01 0.00 -0.03 -0.01 -0.00 -0.03 0.02 -0.00 0.06 -0.13 0.03 0.19 -0.08 0.00 0.06 -0.12 -0.03 -0.36 -0.42 -0.18 -0.05 0.09 0.00 -0.12 -0.01 -0.04 0.02 0.06 0.02 0.07 -0.00 0.02 -0.07 -0.06 -0.03 -0.00 0.10 0.02 0.14 -0.34 -0.03 -0.09 -0.18 -0.06 0.29 -0.18 0.04 0.11 -0.27 -0.02 0.04 -0.03 0.01 -0.08 0.03 -0.02 0.27 -0.12 0.05 -0.11 0.02 -0.04 -0.09 -0.01 -0.06 -0.06 0.06 0.04 0.03 0.03 0.05 0.26 0.07 0.18 -0.04 -0.05 -0.07 0.24 -0.13 -0.03 0.04 -0.01 0.01 0.19 -0.06 0.03 0.36 0.03 0.19 0.05 0.06 0.09 -0.01 0.01 -0.00 -0.03 -0.03 -0.00 0.02 0.02 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 -0.00 0.00 0.00 0.01 -0.05 0.00 0.44 0.05 0.01 -0.06 0.71 -0.04 -0.54 0.04 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.01 0.00 0.01 -0.02 -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 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.02 0.01 -0.02 0.02 -0.00 0.01 0.01 0.00 0.03 -0.06 0.00 -0.00 0.05 0.00 -0.02 -0.00 -0.00 -0.03 0.07 0.01 -0.12 -0.49 -0.17 0.67 -0.26 -0.04 -0.13 -0.38 0.10 0.05 0.06 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 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.05 -0.02 0.01 -0.01 0.01 -0.00 0.00 0.01 0.00 0.02 -0.04 -0.00 -0.02 0.01 -0.00 -0.00 0.01 0.00 -0.07 0.03 -0.00 0.52 -0.15 0.44 0.03 -0.01 0.00 0.59 -0.11 -0.36 0.04 0.05 0.02 -0.00 0.03 0.01 0.04 -0.03 0.00 -0.02 -0.01 -0.01 -0.01 0.04 0.00 0.07 -0.02 0.01 -0.03 -0.03 -0.01 -0.04 0.04 -0.00 -0.09 -0.03 -0.03 -0.21 0.06 -0.04 -0.07 0.09 -0.01 -0.01 0.02 0.00 0.00 -0.02 -0.00 -0.00 0.04 0.02 -0.01 -0.11 -0.12 -0.11 0.06 0.02 0.12 0.00 0.06 0.15 -0.02 0.04 0.11 0.11 0.20 -0.14 0.05 -0.01 -0.16 0.19 0.14 -0.01 -0.10 -0.11 -0.27 0.24 0.16 0.19 0.13 0.23 -0.02 0.41 0.45 -0.00 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.03 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 0.01 0.02 -0.01 -0.00 0.01 -0.01 -0.01 0.02 0.03 0.02 0.18 -0.06 0.04 -0.09 -0.16 -0.06 -0.06 0.13 0.01 0.11 0.02 0.03 -0.06 -0.07 -0.03 -0.05 0.14 0.01 0.11 -0.47 -0.07 -0.17 -0.27 -0.09 0.11 -0.14 0.00 0.12 -0.48 -0.04 0.03 0.08 0.02 0.02 -0.02 0.00 -0.09 0.05 -0.01 -0.02 0.00 -0.01 0.03 0.02 0.04 0.04 -0.04 -0.02 0.04 -0.04 -0.02 -0.16 -0.00 -0.09 0.03 0.02 0.04 -0.15 0.08 0.02 -0.04 0.00 -0.01 -0.17 0.09 0.02 -0.16 -0.01 -0.08 -0.05 0.03 0.01 -0.00 -0.01 -0.02 -0.02 0.02 0.04 -0.02 -0.03 0.03 0.04 0.01 0.02 -0.14 0.07 -0.06 -0.04 -0.01 -0.01 0.07 -0.04 0.00 -0.00 0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.00 -0.04 0.02 0.01 -0.00 0.02 0.00 -0.04 -0.12 -0.09 -0.00 0.19 0.03 0.13 -0.13 0.01 -0.10 -0.08 -0.04 0.06 0.20 0.05 0.17 -0.14 0.02 -0.12 0.01 -0.03 -0.16 0.03 -0.04 -0.46 -0.28 -0.16 -0.56 0.05 -0.13 -0.14 -0.04 -0.04 -0.04 0.03 -0.00 0.01 0.02 0.01 0.00 -0.09 -0.02 0.02 0.03 0.03 0.03 -0.02 -0.01 -0.05 0.01 -0.00 -0.05 0.01 -0.01 -0.01 -0.03 -0.05 0.01 -0.03 -0.02 0.11 -0.08 -0.04 0.02 0.04 0.05 0.10 -0.08 -0.05 0.03 -0.03 -0.02 0.02 -0.12 -0.12 0.01 -0.00 0.00 0.03 0.01 0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.00 0.03 -0.02 0.02 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 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.03 0.02 0.06 -0.03 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.01 -0.01 0.00 0.02 -0.00 0.01 0.01 -0.05 -0.00 -0.02 0.01 -0.00 0.04 -0.03 0.00 -0.14 0.06 -0.02 0.20 -0.06 0.03 -0.06 -0.04 -0.08 -0.04 0.07 0.06 -0.10 0.09 0.05 0.36 0.01 0.20 -0.12 -0.04 -0.10 0.30 -0.13 0.00 0.10 -0.03 0.02 0.34 -0.17 -0.04 0.36 0.05 0.21 0.12 -0.00 0.05 0.02 0.01 -0.01 -0.01 0.00 0.03 -0.03 -0.02 0.03 0.11 0.03 0.04 -0.25 0.14 -0.10 -0.11 -0.02 -0.02 0.15 -0.09 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.02 0.01 -0.00 0.02 0.00 -0.01 -0.07 -0.23 -0.13 0.04 -0.06 0.00 -0.01 -0.04 -0.01 -0.01 0.04 0.00 0.02 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.05 0.01 0.03 -0.10 -0.01 -0.01 -0.04 -0.01 0.04 -0.03 0.01 0.04 -0.10 -0.00 0.08 0.03 0.02 -0.02 0.01 -0.01 -0.10 0.03 -0.02 0.10 -0.02 0.02 -0.01 -0.02 -0.03 -0.01 0.02 0.02 -0.05 0.04 0.02 0.12 -0.00 0.06 -0.06 -0.01 -0.04 0.12 -0.04 0.00 0.04 -0.01 0.01 0.13 -0.07 -0.02 0.14 0.02 0.09 0.05 -0.01 0.02 -0.04 -0.02 0.01 0.01 0.02 -0.03 0.04 0.01 -0.04 -0.24 -0.06 -0.07 0.46 -0.27 0.17 0.27 0.03 0.03 -0.30 0.18 -0.02 0.01 0.02 -0.00 0.01 0.00 0.00 -0.05 -0.01 -0.00 0.00 -0.01 0.00 -0.03 0.03 -0.02 -0.01 -0.00 0.00 -0.03 0.02 0.02 0.10 0.43 0.21 0.10 0.14 0.05 -0.09 -0.05 -0.03 0.04 0.09 0.03 -0.10 -0.11 -0.04 0.07 0.04 0.02 -0.03 -0.11 -0.03 0.10 -0.08 0.01 0.13 0.11 0.05 -0.05 0.08 0.00 -0.10 0.09 -0.01 0.02 0.01 0.01 0.00 -0.02 -0.00 -0.01 0.01 0.01 -0.00 -0.22 -0.24 0.09 0.11 0.17 -0.09 0.14 0.12 0.08 -0.15 -0.14 -0.27 0.06 -0.06 -0.07 -0.12 -0.16 0.22 -0.04 0.07 -0.01 0.24 0.26 -0.24 0.01 -0.08 0.22 -0.08 0.01 0.01 -0.26 -0.30 -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 -0.03 0.17 0.02 0.17 -0.20 0.01 -0.10 0.23 0.02 0.02 -0.11 -0.01 -0.13 0.10 -0.02 0.08 -0.20 -0.01 0.04 -0.27 -0.05 0.10 -0.05 0.02 0.17 0.03 0.05 -0.04 0.23 0.02 -0.02 0.02 0.00 -0.01 0.01 -0.00 0.03 -0.04 -0.00 -0.15 0.07 0.01 0.21 -0.02 0.07 0.23 -0.11 -0.02 -0.23 0.11 0.02 -0.16 -0.10 -0.19 -0.20 0.02 -0.07 -0.21 0.17 0.09 0.11 -0.06 -0.02 0.21 -0.15 -0.09 0.13 0.09 0.16 0.13 0.01 0.07 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.03 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.29 -0.26 -0.13 0.36 -0.03 0.09 -0.16 -0.03 -0.05 0.24 0.15 0.09 -0.27 0.01 -0.07 0.14 0.10 0.05 -0.20 -0.01 -0.06 -0.17 -0.26 -0.09 0.27 -0.16 0.04 0.20 0.01 0.07 -0.05 0.02 -0.01 0.00 0.01 0.00 0.02 0.09 0.03 0.01 -0.13 -0.12 0.01 0.05 0.07 -0.05 0.08 0.06 0.06 -0.07 -0.06 -0.08 0.04 0.02 -0.02 -0.05 -0.07 0.11 -0.02 0.04 -0.01 0.10 0.11 -0.12 0.02 -0.02 0.09 -0.04 0.00 -0.01 -0.10 -0.11 0.01 -0.01 0.00 0.03 0.01 0.00 -0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.21 0.03 0.16 -0.20 0.00 -0.09 0.23 0.02 0.01 -0.11 -0.02 -0.11 0.10 -0.01 0.07 -0.23 -0.02 0.04 -0.26 -0.05 0.11 -0.04 0.02 0.15 0.04 0.04 -0.06 0.23 0.02 -0.02 0.03 0.00 -0.01 -0.00 -0.00 -0.03 -0.03 -0.02 0.17 0.01 0.08 -0.23 -0.02 -0.13 -0.21 0.07 -0.02 0.19 -0.06 0.02 0.24 0.07 0.19 0.22 0.01 0.11 0.16 -0.18 -0.12 -0.10 -0.01 -0.06 -0.12 0.13 0.10 -0.18 -0.07 -0.16 -0.12 0.06 0.01 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.03 -0.01 0.01 -0.02 -0.00 0.00 0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.00 -0.01 0.01 -0.02 0.00 0.02 0.01 0.01 -0.02 0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.02 0.01 -0.01 -0.01 -0.01 0.01 -0.02 0.00 0.02 -0.00 -0.00 0.02 -0.03 0.03 -0.04 -0.09 0.01 -0.01 0.26 -0.04 0.01 0.74 0.21 0.08 -0.05 -0.04 -0.01 -0.46 -0.14 -0.05 0.02 -0.01 0.00 0.01 0.11 -0.02 -0.17 0.09 -0.01 0.00 0.11 0.03 -0.00 -0.01 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.02 -0.04 0.57 -0.40 0.28 -0.12 0.62 0.18 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 -0.10 0.00 -0.50 0.35 -0.25 -0.13 0.70 0.21 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.02 -0.00 0.39 0.09 -0.47 -0.20 -0.42 -0.03 0.31 0.05 0.55 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -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 -0.06 -0.02 -0.03 0.11 0.67 0.22 0.00 -0.00 -0.00 0.01 0.03 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.50 -0.47 0.13 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.09 -0.45 -0.12 0.53 0.00 0.01 -0.01 0.35 0.07 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 -0.07 -0.01 0.20 0.04 -0.25 0.38 0.80 0.06 0.15 0.02 0.28 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.02 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 0.01 -0.01 -0.01 0.00 0.00 0.01 0.02 0.02 0.04 -0.10 0.12 0.11 0.02 -0.03 -0.02 -0.05 -0.05 -0.08 -0.05 0.01 -0.01 -0.26 -0.27 -0.43 -0.24 0.33 0.27 0.59 -0.12 0.13 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.03 0.04 -0.00 -0.01 -0.07 -0.02 0.01 0.01 0.00 -0.10 -0.02 -0.03 0.38 -0.41 0.02 0.18 0.75 0.18 -0.16 -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.03 0.02 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.03 -0.03 -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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.03 -0.04 0.00 0.01 0.04 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 -0.01 0.02 0.01 0.00 0.01 0.01 -0.02 -0.03 -0.04 0.14 -0.18 -0.16 0.03 -0.04 -0.03 -0.08 -0.08 -0.13 -0.01 0.00 0.00 0.29 0.30 0.48 -0.34 0.47 0.37 0.09 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.03 0.03 -0.00 0.01 0.02 0.01 -0.01 -0.00 -0.00 -0.12 -0.03 -0.04 0.32 -0.34 0.02 -0.07 -0.27 -0.06 0.15 0.04 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.02 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.21 -0.27 -0.23 -0.01 0.02 0.02 0.08 0.08 0.12 -0.05 0.01 -0.01 0.05 0.06 0.10 0.17 -0.23 -0.19 0.53 -0.11 0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.05 -0.05 0.00 -0.01 -0.04 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.00 -0.02 -0.15 -0.05 -0.02 -0.08 -0.01 0.21 0.94 0.16 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.09 -0.08 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.04 -0.04 0.00 -0.01 -0.04 -0.01 0.01 0.00 0.00 0.17 0.04 0.05 -0.43 0.45 -0.02 0.11 0.43 0.10 -0.10 -0.03 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.12 -0.16 -0.14 -0.01 0.02 0.01 0.06 0.06 0.10 -0.04 0.01 -0.01 0.07 0.08 0.12 0.12 -0.17 -0.14 0.42 -0.09 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 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.05 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.03 -0.01 -0.01 0.04 -0.04 0.00 -0.02 -0.09 -0.02 -0.14 -0.04 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.05 -0.04 -0.01 -0.01 -0.01 -0.02 -0.02 -0.03 -0.40 0.51 0.44 -0.00 0.01 0.01 0.07 0.07 0.10 -0.03 0.01 -0.00 0.21 0.22 0.35 0.05 -0.08 -0.06 0.29 -0.06 0.06 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 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 -0.04 -0.04 -0.06 0.00 0.00 0.01 0.02 -0.02 -0.02 0.02 -0.02 -0.01 0.44 0.44 0.70 0.01 -0.00 0.00 -0.03 -0.03 -0.05 -0.14 0.20 0.15 -0.11 0.02 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.07 -0.02 -0.02 0.44 0.11 0.13 0.05 -0.05 0.00 0.04 0.17 0.04 0.78 0.20 0.23 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.09 0.11 0.10 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 0.03 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 -0.02 -0.02 -0.01 0.02 0.00 0.00 0.01 0.00 0.04 0.01 0.01 0.78 0.20 0.23 0.16 -0.17 0.01 -0.03 -0.14 -0.03 -0.42 -0.11 -0.12 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.05 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 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 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.09 -0.01 0.11 0.63 0.21 -0.00 -0.02 -0.00 0.05 0.20 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 -0.51 0.46 -0.13 6 6 6 6 6 6 1 1 1 1 7 7 7 6 6 6 6 1 6 1 6 1 1 1 5 1 1 6 1 6 1 6 8 8 6 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 6 6 6 6 6 6 1 1 1 1 7 7 7 6 6 6 6 1 6 1 6 1 1 1 5 1 1 6 1 6 1 6 8 8 6 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 11.00931 1.00783 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 294.14138 0.99996 -0.00886 0.00255 0.00883 0.99988 0.0128 -0.00266 -0.01277 0.99991 asymmetric 1 0.02778 0.00683 0.00588 0.57884 0.14237 0.12246 810941.3 21.05 34.29 58.92 70.26 92.87 100.72 122.73 155.24 185.48 217.51 258.95 321.85 347.28 358.33 369.22 409.89 463.30 501.24 504.26 589.54 612.51 634.22 732.85 764.56 778.01 832.06 849.80 880.53 890.44 900.96 913.50 944.69 992.18 1039.17 1054.12 1077.32 1107.33 1130.55 1134.52 1142.74 1172.25 1197.75 1245.83 1271.41 1276.92 1354.06 1364.22 1368.80 1406.11 1415.44 1456.86 1457.93 1469.73 1471.83 1492.31 1496.83 1514.08 1527.52 1592.85 1602.54 1654.06 1661.98 1669.23 1696.66 1704.58 1708.91 1725.42 1749.76 1757.61 1783.96 1834.46 1846.70 1899.11 1917.14 1944.08 1977.25 1992.09 2019.33 2037.77 2074.07 2112.26 2118.72 2144.34 2165.23 2187.36 2215.49 2241.70 2272.24 2413.73 2433.94 2440.89 2448.90 2648.23 3714.70 3861.54 4399.54 4526.08 4539.22 4590.74 4617.82 4625.70 4630.87 4645.61 4646.57 4646.82 4657.31 4669.34 4677.51 4680.32 4690.50 0.308871 0.328173 0.329117 0.257504 -958.101729 -958.082427 -958.081483 -958.153096 205.932 73.978 150.723 0.000 0.000 1.377 0.889 2.981 42.934 0.889 2.981 34.720 204.154 68.016 71.691 1 0.593 1.986 7.255 2 0.593 1.985 6.286 3 0.594 1.981 5.213 4 0.595 1.978 4.864 5 0.597 1.971 4.313 6 0.598 1.968 4.153 7 0.601 1.959 3.765 8 0.606 1.943 3.306 9 0.611 1.924 2.962 10 0.619 1.901 2.657 11 0.629 1.867 2.329 12 0.649 1.805 1.929 13 0.658 1.777 1.793 14 0.662 1.764 1.737 15 0.666 1.752 1.685 16 0.683 1.702 1.504 17 0.707 1.631 1.300 18 0.726 1.579 1.174 19 0.727 1.574 1.164 20 0.774 1.449 0.927 21 0.788 1.414 0.873 22 0.801 1.381 0.824 23 0.865 1.229 0.635 24 0.886 1.181 0.584 25 0.896 1.160 0.564 26 0.935 1.078 0.488 27 0.948 1.052 0.466 28 0.971 1.006 0.429 29 0.979 0.992 0.418 0.423831e+24 23.627193 54.403622 0.123707e+09 8.092393 18.633424 0.200000e+01 0.301030 0.693147 0.198284e+09 8.297288 19.105212 0.863935e+07 6.936481 15.971838 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.9536 4.2540 1.5267 6.7056 -129.8982 -122.2766 -130.5725 -15.7379 2.2705 1.8062 -2.3158 5.3058 -2.9900 -15.7379 2.2705 1.8062 179.4697 32.5310 15.3104 -4.0423 68.8045 19.0342 -2.7694 0.9942 7.4297 17.1804 -9034.8625 -1960.2701 -570.4906 -694.2871 100.9733 -9.7690 11.6443 -27.8685 6.6088 -1818.5496 -1518.7123 -474.9524 87.1323 -23.7989 -3.1006 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -958.4106006 0.805451 0. 0.751014 9.858E-10 1.397E-6 0.3088712 0.3281732 -958.0824274 -958.0814832 -958.1530964 -1.6693021,4.0165807,-2.3472786,-11.603249,2.3435277,0.9751612 C01[X(C16H17B1N3O2)] 1.9436969 1.7098607 0.5083584 0.1764184 -0.5142429 0.0499858 -1.4171937 0.2118797 -0.0532755 -0.2940609 -0.1205999 0.0715651 0.4765775 0.5529077 -0.1704899 -0.875293 -0.1387068 0.1394789 -0.0397125 0.1427933 0.0252374 -0.3914387 -0.2275741 0.1003583 0.9060703 0.6113081 -0.1283285 -0.0298838 -0.0209625 -0.0549628 -0.7657991 -0.5403499 0.1129679 -0.9827384 -0.6783549 0.1484355 -0.2807802 -0.1892959 -0.0900673 1.1604136 0.7103752 -0.0919654 -0.4863909 -0.1608381 0.0895775 0.2824697 0.1780794 -0.1193726 -0.1076638 -0.0966848 0.034973 1.1115058 0.2919493 -0.067259 0.1056665 0.0304709 -0.1296406 0.0380199 -0.0076643 -0.0296838 -0.0736432 0.0729 -0.0100054 0.0077631 -0.0091412 0.1102951 0.0017705 0.0736558 -0.0198527 0.0185703 -0.0190776 0.0123384 -0.0138695 -0.0013476 0.1192977 0.0958225 -0.0174975 -0.0197278 -0.0462902 -0.0667565 -0.0188554 -0.0207096 -0.0335566 0.1140097 -0.0174626 -0.0276478 -0.0341272 -0.0094419 0.1208506 -0.0074841 -0.0490943 -0.0201455 0.1099756 4.0613041 1.8949501 -0.8906614 -0.0243801 -0.4192464 0.0027742 0.872319 0.309882 -0.38333 -1.7936114 -0.8779121 0.4997779 4.3068742 1.5417947 -0.5407565 0.1565772 -0.0939578 -0.0136733 -3.1471364 -0.3703984 0.0811986 -1.0825582 -0.9789876 0.1732029 -1.1408956 -0.2880859 0.0227281 2.5134124 0.0424042 0.0669138 -0.6114071 -0.0525901 0.0313099 0.5975562 0.0471759 0.1094933 -0.5039759 -0.0474654 -0.0057827 -0.1699948 -0.0748723 0.0156448 -0.2023005 0.0276839 -0.0957144 -0.4475521 0.0270879 0.024976 0.4353034 -0.0574248 0.0444568 0.0235452 0.0093473 -0.0648374 0.087962 -0.0001596 0.04691 0.0089049 -0.0169711 0.1113928 0.1424276 0.0943093 0.0188546 0.067579 0.0580559 0.0304379 0.0432764 0.0418705 -0.0570872 0.0928925 -0.0449392 0.083777 0.1510192 -0.0595168 -0.0094946 -0.116083 0.0155981 0.1072028 -0.0208635 0.0989344 -0.0156625 0.1542654 -0.0120001 -0.0512841 -0.044802 0.0909471 -0.0333932 -0.1019142 -0.0409012 0.0719923 -0.1961143 -0.0431458 0.0422855 -0.001426 -0.1027865 -0.0109221 -0.0347063 -0.0138386 -0.1129024 0.0146475 -0.0220102 -0.0479275 -0.0327224 0.0522414 -0.0753153 -0.08716 -0.0702084 0.0225292 -0.0007561 0.0474342 0.0227026 0.0740849 0.0283547 -0.0710304 0.0460032 -0.0653387 0.0628562 -0.0769879 0.0307227 -0.038987 0.0418105 0.092117 -0.0197498 -0.048868 -0.0150391 0.0949511 -1.7702367 -0.8401669 0.3996463 -1.2913613 -0.0793529 0.3054341 2.4619058 1.2449111 0.1771474 0.0468329 0.1041669 -0.1042255 0.2036812 -0.0792057 0.0455703 -0.3566462 -0.1341718 -0.1299606 0.1615589 0.1703092 -0.0049373 0.0615736 -0.2192467 -0.0975887 -0.3640614 -0.2270614 -0.0859321 3.7562986 1.7055111 -0.5774204 1.258501 0.541907 -0.2043481 -3.312885 -1.5980011 0.3212628 0.062321 -0.0050214 -0.0208667 -0.1098668 -0.053862 -0.0220197 0.5137283 0.2280173 -0.0173898 -4.8813649 -1.9731838 0.79753 0.2393098 -0.0500464 -0.0058591 0.4468066 0.3182109 -0.2549317 -0.0231251 -0.036564 0.0040628 0.0686762 0.0210486 -0.0203914 0.0260589 -0.011627 0.1161812 4.0474095 1.3261041 -0.4286837 -3.0212772 0.3500431 0.5123166 0.3990077 0.1108942 0.2686498 -0.8174631 0.0853898 -0.0032085 1.9528001 -0.7656079 -0.2884924 -0.0788374 0.0030491 -0.2531362 -2.7781829 -0.9343442 0.2642826 0.1995105 -0.5514541 -0.0417517 -0.2900087 -0.1080395 -0.3196705 0.8908382 -0.1901011 -0.0517773 -0.7649629 0.4032826 0.0748467 0.0828604 -0.0103411 0.2519844 -0.1096342 0.051291 0.0675615 0.0363636 0.0398348 0.0348703 0.0754496 -0.0069116 -0.0358131 0.0137123 -0.0871895 -0.0022639 0.0869405 -0.0548567 -0.0192529 -0.0098776 0.0079611 0.0707351 -0.077921 0.0441832 -0.0219467 0.0391152 0.0295902 -0.0549675 -0.0789519 0.009335 -0.0555468 -0.0717573 0.0062917 -0.0212565 0.0689608 0.0627272 -0.0007185 0.5230497 0.2624563 -0.0109791 558.0506438|94.2396463|269.1980708|-19.8501387|-0.4830626|141.0316365 -0.000000567 -0.000000311 0.000001074 0.000000266 -0.000000895 -0.000000117 0.000000211 0.000000897 -0.000000798 0.000000075 -0.000001039 -0.000000838 -0.000000017 -0.000000108 -0.000000797 -0.000000084 0.000000351 -0.000000999 0.000000711 -0.000000549 -0.000000158 -0.000000361 -0.000000362 -0.000001119 -0.000000363 0.000000015 -0.000001321 -0.000000279 0.000000281 -0.000000864 -0.000001374 -0.000001824 -0.000002555 -0.000001476 0.000002752 -0.000001125 -0.000000006 -0.000000992 -0.000001823 -0.000000295 0.000000168 0.000000943 0.000000161 0.000001282 -0.000000604 -0.000000079 -0.000000311 0.000000670 -0.000000108 0.000000865 -0.000000092 0.000000039 0.000000666 -0.000000318 0.000000182 0.000000480 0.000000403 0.000000226 -0.000000108 0.000000524 0.000000216 0.000000735 0.000000201 -0.000000025 0.000001180 -0.000000302 0.000000210 0.000000272 0.000000619 0.000000086 0.000000953 0.000000172 0.000006633 0.000002568 0.000002079 -0.000000703 -0.000000886 0.000001049 0.000000386 -0.000000924 0.000002205 0.000003604 -0.000000137 0.000000088 -0.000000453 -0.000000036 -0.000000444 -0.000004481 0.000001233 0.000002086 0.000000264 -0.000000288 0.000001518 0.000001587 -0.000004270 -0.000003440 -0.000001813 0.000000897 0.000004943 -0.000000621 0.000000148 0.000000735 -0.000000868 -0.000000650 -0.000001772 0.000000636 0.000000626 0.000000566 -0.000000176 -0.000000180 -0.000001471 -0.000000684 -0.000001479 0.000000475 -0.000000659 -0.000001022 0.000000604 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0506,1.0816,-.309;-.244,.7534,-.7256;-1.2472,1.713,-.8467;-.8928,3.0308,-.579;.4195,3.3704,-.2063;1.4148,2.4101,-.061;-2.2601,1.4254,-1.1271;-1.6449,3.817,-.6634;.6661,4.4177,-.021;2.4298,2.686,.2218;-.2546,-.6222,-.9404;.9374,-1.1435,-.6609;1.7271,-.1195,-.2718;3.0791,-.3766,.0455;3.711,.3383,1.0668;3.7714,-1.3667,-.6586;5.0485,.0806,1.3589;3.1532,1.0711,1.6512;5.1019,-1.6246,-.3448;3.2544,-1.9247,-1.4396;5.7485,-.8982,.6559;5.5402,.6404,2.1571;5.6412,-2.3983,-.8949;6.7947,-1.1009,.8924;-1.4358,-1.451,-1.2337;-2.3432,-.8387,-1.7388;-1.2056,-2.5976,-1.5173;-2.0351,-1.6257,.7732;-1.8774,-.5841,1.0661;-3.3268,-2.0675,.6275;-3.5608,-3.1268,.5041;-4.4838,-1.1731,.4999;-4.1402,.1318,.5067;-5.6295,-1.5432,.3984;-5.2066,1.0545,.4043;-5.9096,.9414,1.2428;-4.7537,2.0529,.4274;-5.7635,.9122,-.5336;-1.2414,-2.3346,1.0241; Gaussian 16 1-Oct-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 111 C1[X(C16H17BN3O2)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0506,1.0816,-.309;-.244,.7534,-.7256;-1.2472,1.713,-.8467;-.8928,3.0308,-.579;.4195,3.3704,-.2063;1.4148,2.4101,-.061;-2.2601,1.4254,-1.1271;-1.6449,3.8171,-.6634;.6661,4.4177,-.021;2.4298,2.686,.2218;-.2546,-.6222,-.9404;.9374,-1.1435,-.6609;1.7271,-.1195,-.2718;3.0791,-.3766,.0455;3.711,.3383,1.0668;3.7714,-1.3667,-.6586;5.0485,.0806,1.3589;3.1532,1.0711,1.6512;5.1019,-1.6246,-.3448;3.2544,-1.9247,-1.4396;5.7485,-.8982,.6559;5.5402,.6404,2.1571;5.6412,-2.3983,-.8949;6.7947,-1.1009,.8924;-1.4359,-1.451,-1.2337;-2.3432,-.8387,-1.7388;-1.2056,-2.5976,-1.5173;-2.0351,-1.6257,.7732;-1.8774,-.5841,1.0661;-3.3268,-2.0675,.6275;-3.5608,-3.1268,.5041;-4.4838,-1.1731,.4999;-4.1402,.1318,.5067;-5.6295,-1.5432,.3984;-5.2066,1.0545,.4043;-5.9096,.9414,1.2428;-4.7537,2.0529,.4274;-5.7635,.9122,-.5336;-1.2414,-2.3346,1.0241; chk=38_COOMe_TS.chk Mem=12000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 12 12 12 12 12 12 1 1 1 1 14 14 14 12 12 12 12 1 12 1 12 1 1 1 11 1 1 12 1 12 1 12 16 16 12 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 2 2 2 0 0 0 0 1 0 1 0 1 1 1 3 1 1 0 1 0 1 0 0 0 0 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "38_COOMe_TS.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1047 A 920 A 920 1411 1047 78 77 1668.7006896388 39 39 39 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0286831456 0.000000 1.399059 0.000000 2.442924 1.393552 0.000000 2.765668 2.372538 1.390628 0.000000 2.376376 2.749254 2.436150 1.405782 0.000000 1.399601 2.436775 2.861733 2.445080 1.390639 0.000000 3.427571 2.162714 1.089613 2.178849 3.436713 3.951064 0.000000 3.856690 3.369333 2.149122 1.091351 2.161071 3.421144 2.512692 0.000000 3.370453 3.840782 3.414333 2.159814 1.091786 2.143029 4.328950 2.472678 0.000000 2.181253 3.432446 3.950786 3.435024 2.166289 1.089180 5.040191 4.320397 2.483568 0.000000 2.237299 1.392353 2.539198 3.725934 4.115122 3.571444 2.872198 4.660158 5.205163 4.416022 0.000000 2.255648 2.235672 3.600967 4.558638 4.566183 3.635356 4.128016 5.592468 5.604453 4.203772 1.330701 0.000000 1.378987 2.202972 3.540493 4.108790 3.727321 2.557435 4.360700 5.198069 4.666270 2.933948 2.151055 1.350459 0.000000 2.523287 3.593713 4.886710 5.270331 4.601832 3.247611 5.755814 6.356566 5.367703 3.135671 3.485141 2.382047 1.412372 0.000000 3.085956 4.362042 5.489598 5.581516 4.652814 3.291965 6.453615 6.616769 5.205429 2.804931 4.547278 3.587969 2.436654 1.397661 0.000000 3.676817 4.541189 5.891201 6.410801 5.820590 4.491615 6.662847 7.497156 6.596068 4.358841 4.103908 2.842736 2.425744 1.398261 2.426422 0.000000 4.446018 5.727893 6.867742 6.910715 5.890693 4.543840 7.836094 7.927972 6.318214 3.865096 5.822722 4.741236 3.705537 2.410933 1.393066 2.792135 0.000000 2.874614 4.158314 5.100560 5.018414 4.026222 2.783281 6.094964 5.993328 4.492410 2.274768 4.604052 3.893597 2.673784 2.163252 1.090704 3.414661 2.158379 0.000000 4.872089 5.863263 7.190421 7.593593 6.847837 5.472961 8.007015 8.673612 7.502621 5.103151 5.481889 4.204044 3.695893 2.408531 2.789201 1.391109 2.410983 3.879098 0.000000 3.895199 4.463219 5.817959 6.518889 6.131448 4.906578 6.459856 7.587674 6.995472 4.969755 3.776039 2.566122 2.637247 2.152322 3.407529 1.090190 3.882183 4.305518 2.168359 0.000000 5.188531 6.367611 7.616855 7.814636 6.882041 5.499074 8.527341 8.867742 7.385643 4.903998 6.217847 4.994064 4.199844 2.787499 2.418489 2.419991 1.393654 3.406487 1.395350 3.415414 0.000000 5.141240 6.463719 7.499480 7.388040 6.265780 5.007051 8.499780 8.346974 6.539781 4.195789 6.690914 5.684080 4.584359 3.398515 2.150769 3.883949 1.091875 2.477680 3.403132 4.973947 2.159699 0.000000 5.790209 6.678116 8.022186 8.501020 7.811371 6.455873 8.780920 9.579739 8.483663 6.116407 6.157671 4.873902 4.571815 3.396408 3.881056 2.148558 3.402304 4.970814 1.091875 2.493562 2.160234 4.307930 0.000000 6.261101 7.456533 8.695710 8.850614 7.864027 6.494585 9.615081 9.891116 8.297537 5.817505 7.299392 6.059904 5.291428 3.879088 3.407461 3.408340 2.159336 4.307387 2.161137 4.318616 1.091592 2.491058 2.491618 0.000000 3.667637 2.556917 3.193133 4.561765 5.267154 4.940532 2.993996 5.302917 6.350551 5.846024 1.472445 2.460673 3.564038 4.814101 5.914704 5.239545 7.149421 5.978538 6.600136 4.718591 7.449210 8.033422 7.148199 8.507914 0.000000 4.153312 2.822750 2.916910 4.292092 5.262822 5.243286 2.346745 4.829119 6.295731 6.248908 2.246418 3.466558 4.385960 5.727018 6.775692 6.231633 8.067104 6.734244 7.615077 5.709781 8.438795 8.917004 8.178919 9.512771 1.205496 0.000000 4.481906 3.575028 4.362700 5.714673 6.322700 5.836466 4.177171 6.486168 7.413267 6.645098 2.267008 2.727696 4.036506 5.072888 6.282531 5.198330 7.386446 6.519080 6.488879 4.511135 7.481317 8.336148 6.877909 8.488315 1.203464 2.106391 0.000000 4.245270 3.333884 3.793654 4.981589 5.651992 5.374461 3.601483 5.642639 6.667020 6.231361 2.667147 3.335406 4.185093 5.314646 6.079569 5.986008 7.309752 5.912898 7.224000 5.741493 7.818410 8.027145 7.893375 8.846191 2.101736 2.650349 2.622879 0.000000 3.638477 2.768953 3.054907 4.091842 4.746831 4.590597 2.999041 4.734460 5.715640 5.473390 2.580850 3.349363 3.872733 5.064772 5.664011 5.957786 6.963913 5.328166 7.196026 5.866037 7.643371 7.596716 7.979085 8.689213 2.497016 2.854609 3.343568 1.093384 0.000000 5.473190 4.392293 4.559624 5.776921 6.655857 6.557842 4.051723 6.254839 7.643369 7.476547 3.739719 4.549405 5.490505 6.650885 7.450625 7.247704 8.677327 7.272552 8.496114 6.899665 9.150379 9.396598 9.102331 10.171018 2.723910 2.841907 3.062808 1.372944 2.119829 0.000000 6.295830 5.250692 5.531850 6.797637 7.652520 7.465461 5.007491 7.297329 8.663817 8.352008 4.392101 5.052189 6.132573 7.201622 8.074852 7.629605 9.227116 8.001075 8.832862 7.188201 9.573578 9.987630 9.336239 10.558983 3.216171 3.427576 3.148531 2.157251 3.100844 1.091856 0.000000 6.030604 4.815570 4.540794 5.633186 6.721952 6.924404 3.787392 5.857866 7.619045 7.922628 4.501589 5.544180 6.346756 7.618362 8.352303 8.338323 9.652746 8.042804 9.633400 8.012886 10.237198 10.320638 10.293812 11.285576 3.517481 3.115428 4.104306 2.505127 2.731468 1.467924 2.160743 0.000000 5.339675 4.133465 3.563888 4.486530 5.638066 6.030816 2.806667 4.601828 6.461253 7.054779 4.214318 5.363916 5.924054 7.251912 7.873890 8.136101 9.228323 7.442230 9.445915 7.918129 9.943324 9.833238 10.200073 11.010930 3.584319 3.035311 4.489782 2.755193 2.438385 2.347968 3.309691 1.349396 0.000000 7.212064 5.961664 5.599771 6.656826 7.816588 8.090803 4.742604 6.762876 8.679981 9.103248 5.615150 6.663767 7.523008 8.793514 9.551533 9.461731 10.843417 9.248815 10.757353 9.080029 11.399167 11.516193 11.376829 12.441874 4.500969 3.982894 4.934842 3.614818 3.929877 2.372692 2.607365 1.208236 2.243927 0.000000 6.297795 5.098524 4.204195 4.845792 6.114647 6.774703 3.341345 4.632177 6.780852 7.810834 5.398341 6.611715 7.064810 8.416085 8.970833 9.359266 10.345413 8.452341 10.677211 9.157715 11.130622 10.896656 11.457949 12.203093 4.814459 4.046768 5.747960 4.168687 3.769172 3.651088 4.494683 2.343936 1.413918 2.631937 0.000000 7.132517 6.000811 5.167163 5.731814 6.932381 7.583136 4.378339 5.485517 7.544657 8.580900 6.260256 7.406265 7.857428 9.163459 9.641147 10.132339 10.992544 9.073010 11.417417 9.969391 11.816972 11.490210 12.212496 12.872220 5.645447 4.977771 6.501621 4.671428 4.314785 4.012851 4.755302 2.656314 2.080451 2.639076 1.100074 0.000000 5.930887 4.832751 3.746206 4.108016 5.375786 6.198058 3.004695 3.737171 5.930177 7.214220 5.410079 6.617387 6.870842 8.209840 8.660249 9.249286 10.041961 8.061088 10.547580 9.134310 10.911328 10.533311 11.384856 11.980315 5.103350 4.343302 6.164277 4.587167 3.954069 4.365045 5.315846 3.238109 2.018261 3.701327 1.096543 1.799058 0.000000 6.819962 5.525169 4.597432 5.311767 6.661797 7.348144 3.590216 5.041620 7.341050 8.417085 5.733097 7.010342 7.565886 8.954860 9.625909 9.804256 11.007915 9.181931 11.159199 9.496927 11.714083 11.622740 11.880995 12.798274 4.980323 4.027033 5.836236 4.695747 4.460958 4.020511 4.716206 2.656061 2.080036 2.629778 1.100078 1.782688 1.801264 0.000000 4.324472 3.686783 4.459082 5.610644 6.067900 5.544788 4.450057 6.391690 7.093947 6.271189 2.786628 3.000809 3.924046 4.843391 5.627808 5.375476 6.745991 5.595068 6.527971 5.142916 7.145422 7.491576 7.145371 8.131278 2.432323 3.329439 2.555248 1.093432 1.862972 2.139582 2.505582 3.483871 3.841116 4.502618 5.252970 5.707269 5.651801 5.780893 0.000000 C16H17BN3O2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 277.00109999999995 AuxInfo=1/0/N:21,17,19,5,4,15,16,6,3,14,1,2,25,12,13,11;28,35,30,32,34,33/E:(2,3)(6,7);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.2;1.3,3.3,4.3,5.1/rA:39nC3C3C3C3C3C3HHHHNN2NC3C3C3C3HC3HC3HHHBHHC3HC3HC3OO1CHHHH/rB:s1;s2;s3;s4;s1s5;s3;s4;s5;s6;s2;s11;s1s12;s13;s14;s14;s15;s15;s16;s16;s17s19;s17;s19;s21;s11;s25;s25;;s28;s28;s30;s30;s32;s32;s33;s35;s35;s35;s28;/rC:1.0535,1.0976,-.2454;-.2426,.7966,-.6777;-1.2435,1.764,-.7427;-.8852,3.0637,-.4018;.4285,3.3785,-.0128;1.4215,2.4091,.0765;-2.2575,1.4951,-1.0372;-1.6355,3.8553,-.4404;.678,4.4131,.2309;2.4376,2.6661,.3727;-.2571,-.5647,-.9696;.934,-1.1039,-.7219;1.727,-.1053,-.2771;3.0789,-.3833,.0228;3.7142,.2713,1.0818;3.7674,-1.3339,-.7371;5.0515,-.0058,1.3566;3.1592,.9714,1.7075;5.0977,-1.6123,-.4406;3.2478,-1.8456,-1.5474;5.7478,-.9451,.5983;5.5458,.5069,2.1842;5.6342,-2.3551,-1.0344;6.7938,-1.1635,.8213;-1.4409,-1.3726,-1.3071;-2.3474,-.7307,-1.7754;-1.214,-2.5021,-1.6554;-2.0375,-1.6587,.6878;-1.8766,-.6357,1.0385;-3.3305,-2.0884,.5195;-3.5675,-3.1385,.337;-4.4854,-1.1854,.4446;-4.1384,.1162,.5243;-5.6322,-1.5463,.3243;-5.2026,1.0459,.4759;-5.9046,.8874,1.3079;-4.7471,2.0402,.5545;-5.7614,.9581,-.4676;-1.2451,-2.3827,.8969; 0.5788415 0.1423685 0.1224617 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= 1008 1007 1007 1007 1008 MxSgAt= 39 MxSgA2= 39. 1 open 1 1 1 -958.968336682231 -959.205300841428 -0.236964159198 -959.449956234481 -0.244655393053 -959.450237115789 -0.000280881308 -959.450321411860 -0.000084296072 -959.450351252976 -0.000029841116 -959.450354316406 -0.000003063429 -959.450356600612 -0.000002284207 -959.450358714428 -0.000002113816 -959.450360182266 -0.000001467838 -959.450360760778 -0.000000578511 -959.450360890836 -0.000000130059 -959.450360968255 -0.000000077419 -959.450360991172 -0.000000022917 -959.450360997423 -0.000000006251 -959.450360998161 -0.000000000739 -959.450360998351 -0.000000000190 -959.450360998353 -0.000000000001 -959.450360998 18 0.8049 9.544339601543e+02 -5.569865764118e+03 1.987309436472e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570649200 LenY= 1569551944 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. 0.8049 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 C C C C C C H H H H N N N C C C C H C H C H H H B H H C H C H C O O C H H H H 13 13 13 13 13 13 1 1 1 1 14 14 14 13 13 13 13 1 13 1 13 1 1 1 11 1 1 13 1 13 1 13 17 17 13 1 1 1 1 -0.00900 0.00268 -0.00299 0.00329 -0.00405 0.00422 0.00028 -0.00069 0.00041 -0.00080 -0.01466 0.05558 0.01191 -0.00654 0.00376 0.00218 -0.00183 -0.00039 -0.00232 -0.00042 0.00197 0.00023 0.00027 -0.00041 0.04100 -0.00427 -0.00441 -0.02909 0.00531 0.02221 -0.00549 -0.01774 -0.00224 0.00988 -0.00051 0.00040 -0.00000 0.00038 0.00448 -10.11701 3.00861 -3.35661 3.69300 -4.55257 4.74823 1.26099 -3.06988 1.81574 -3.55857 -4.73657 17.95715 3.84942 -7.35100 4.22952 2.45631 -2.05196 -1.75342 -2.61359 -1.86906 2.21493 1.02879 1.21946 -1.81035 58.81230 -19.06511 -19.69391 -32.70389 23.73059 24.97222 -24.53288 -19.94481 1.35965 -5.98782 -0.57266 1.80066 -0.00780 1.68005 20.04161 -3.61000 1.07355 -1.19772 1.31775 -1.62447 1.69429 0.44995 -1.09541 0.64790 -1.26978 -1.69013 6.40756 1.37357 -2.62302 1.50920 0.87647 -0.73219 -0.62566 -0.93259 -0.66693 0.79034 0.36710 0.43513 -0.64598 20.98569 -6.80291 -7.02728 -11.66956 8.46767 8.91071 -8.75394 -7.11680 0.48516 -2.13660 -0.20434 0.64252 -0.00278 0.59948 7.15134 -3.37467 1.00356 -1.11964 1.23185 -1.51857 1.58384 0.42062 -1.02400 0.60566 -1.18701 -1.57995 5.98986 1.28403 -2.45203 1.41082 0.81934 -0.68446 -0.58488 -0.87180 -0.62345 0.73882 0.34317 0.40677 -0.60387 19.61767 -6.35944 -6.56918 -10.90885 7.91567 8.32983 -8.18329 -6.65287 0.45353 -1.99732 -0.19102 0.60064 -0.00260 0.56040 6.68516 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 0.016507 -0.012669 0.008152 -0.020900 0.013410 -0.025857 -0.000724 -0.000044 0.001456 0.002076 -0.002476 -0.403203 -0.150124 0.014721 -0.006189 -0.009139 0.006860 -0.000483 0.007631 0.004027 -0.010332 0.001157 0.001628 0.002515 -0.029909 0.003759 -0.004012 0.068495 0.008831 -0.205358 -0.025250 0.007008 -0.018173 -0.170305 -0.000624 0.000001 -0.000227 0.000105 0.003306 0.036562 -0.011673 0.011467 -0.020790 0.014987 -0.026336 0.003074 0.000693 -0.000404 -0.001181 0.008274 -0.473610 -0.160831 -0.004567 0.012905 0.020199 -0.005032 0.000408 -0.005367 -0.002634 0.005061 -0.000543 -0.000889 -0.001220 -0.055024 -0.007339 0.004605 0.050424 -0.008483 -0.207634 0.025671 -0.002563 -0.016301 -0.169762 0.001461 0.001144 0.001286 0.001194 -0.003832 -0.053069 0.024342 -0.019620 0.041690 -0.028397 0.052193 -0.002350 -0.000648 -0.001051 -0.000894 -0.005797 0.876813 0.310954 -0.010154 -0.006716 -0.011059 -0.001828 0.000076 -0.002264 -0.001393 0.005271 -0.000614 -0.000739 -0.001295 0.084933 0.003580 -0.000593 -0.118919 -0.000348 0.412991 -0.000422 -0.004445 0.034474 0.340067 -0.000837 -0.001145 -0.001059 -0.001299 0.000526 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 -0.006071 -0.000990 -0.001741 0.002430 -0.002717 0.003715 -0.001812 -0.003371 -0.000475 0.002937 -0.031382 0.071226 0.023372 -0.005232 0.014965 0.007885 -0.005192 0.000493 -0.004637 -0.002757 0.007991 -0.000282 -0.000361 -0.000365 0.007303 -0.004072 0.001025 -0.002095 0.001084 0.012279 0.008980 -0.004489 -0.002961 0.002500 -0.000946 -0.001234 -0.000731 -0.001259 0.008447 0.020398 -0.012221 0.004154 -0.018146 0.011962 -0.018882 -0.000094 -0.000651 0.000551 0.000965 0.086334 -0.374510 -0.114197 0.010396 -0.005451 -0.004580 0.004807 0.000880 0.004493 -0.001053 -0.007601 0.000364 0.000496 0.000602 -0.048952 0.004296 -0.003334 0.042972 -0.000874 -0.112606 -0.003606 -0.002019 -0.012512 -0.030724 -0.000504 -0.000610 -0.000237 0.000390 -0.001740 0.015951 -0.008085 0.005121 -0.014331 0.007291 -0.012444 -0.000509 -0.000954 -0.000103 0.000659 0.053876 -0.262793 -0.076700 0.014181 -0.015005 -0.015142 0.009733 0.002067 0.009802 0.001458 -0.021572 0.000223 0.000079 -0.001180 -0.015403 -0.007346 0.006798 0.035169 -0.002165 -0.084649 0.004365 -0.000249 -0.000453 -0.041519 0.000451 0.000830 0.000196 -0.000776 -0.000152 -0.2615 -0.1706 0.95 0.9558 0.0916 0.2796 -0.1347 0.9811 0.1391 -0.0615 0.0219 0.0397 -8.259 2.938 5.322 -2.947 1.048 1.899 -2.755 0.98 1.775 1 C 13 0.7938 0.5141 0.3249 -0.5446 0.8387 0.0036 -0.2707 -0.1798 0.9457 -0.0183 -0.0111 0.0294 -2.457 -1.485 3.942 -0.877 -0.53 1.407 -0.82 -0.495 1.315 2 C 13 -0.1482 -0.1614 0.9757 0.9527 0.2415 0.1846 -0.2654 0.9569 0.1179 -0.0211 0.0085 0.0126 -2.831 1.143 1.688 -1.01 0.408 0.602 -0.944 0.381 0.563 3 C 13 0.8409 0.4392 0.3163 -0.4796 0.8755 0.0593 -0.2508 -0.2016 0.9468 -0.0265 -0.0231 0.0495 -3.55 -3.099 6.649 -1.267 -1.106 2.373 -1.184 -1.034 2.218 4 C 13 -0.256 -0.1599 0.9534 0.5674 0.7736 0.2821 0.7827 -0.6131 0.1073 -0.0328 0.0157 0.0172 -4.406 2.101 2.305 -1.572 0.75 0.823 -1.47 0.701 0.769 5 C 13 0.9228 -0.3515 0.1578 0.3148 0.9239 0.2175 -0.2222 -0.151 0.9632 -0.0305 -0.028 0.0585 -4.093 -3.757 7.85 -1.46 -1.341 2.801 -1.365 -1.253 2.619 6 C 13 0.2204 0.1607 0.9621 0.9035 0.3379 -0.2635 -0.3674 0.9274 -0.0707 -0.0025 -0.0014 0.0038 -1.311 -0.733 2.044 -0.468 -0.262 0.729 -0.437 -0.245 0.682 7 H 1 0.6834 0.6316 0.3661 -0.316 -0.1962 0.9283 -0.6581 0.7501 -0.0655 -0.0035 -2.0E-4 0.0037 -1.872 -0.12 1.992 -0.668 -0.043 0.711 -0.624 -0.04 0.665 8 H 1 -0.2048 0.0046 0.9788 0.2227 0.974 0.042 0.9531 -0.2266 0.2005 -0.0012 -5.0E-4 0.0017 -0.623 -0.276 0.899 -0.222 -0.098 0.321 -0.208 -0.092 0.3 9 H 1 -0.5005 0.8646 -0.0432 -0.2189 -0.0781 0.9726 0.8376 0.4963 0.2283 -0.0029 -0.0012 0.0041 -1.555 -0.621 2.176 -0.555 -0.222 0.776 -0.519 -0.207 0.726 10 H 1 -0.6081 -0.4309 0.6667 -0.4888 0.865 0.1132 0.6255 0.2571 0.7367 -0.1194 0.0331 0.0863 -4.604 1.275 3.329 -1.643 0.455 1.188 -1.536 0.425 1.11 11 N 14 -0.0461 0.9839 0.1724 0.9652 -6.0E-4 0.2615 -0.2574 -0.1784 0.9497 -0.523 -0.5047 1.0277 -20.171 -19.466 39.637 -7.197 -6.946 14.143 -6.728 -6.493 13.221 12 N 14 0.8109 -0.5769 0.0984 0.5395 0.802 0.2562 -0.2267 -0.1547 0.9616 -0.1806 -0.1696 0.3502 -6.966 -6.542 13.507 -2.485 -2.334 4.82 -2.323 -2.182 4.505 13 N 14 -0.2756 -0.5934 0.7562 -0.1973 0.8049 0.5597 0.9408 -0.005 0.3389 -0.0251 0.0066 0.0185 -3.364 0.882 2.482 -1.2 0.315 0.886 -1.122 0.294 0.828 14 C 13 -0.5355 0.5857 0.6084 0.7343 -0.0329 0.678 0.4171 0.8098 -0.4125 -0.0164 -0.0119 0.0283 -2.196 -1.596 3.792 -0.784 -0.569 1.353 -0.732 -0.532 1.265 15 C 13 0.1953 0.3305 0.9234 0.9525 -0.2881 -0.0984 0.2335 0.8988 -0.3711 -0.0174 -0.0111 0.0285 -2.341 -1.483 3.824 -0.835 -0.529 1.365 -0.781 -0.495 1.276 16 C 13 0.3011 0.7243 -0.6203 -0.1012 0.6711 0.7344 0.9482 -0.1584 0.2754 -0.0155 0.0064 0.0091 -2.083 0.859 1.224 -0.743 0.307 0.437 -0.695 0.287 0.408 17 C 13 -0.2493 -0.6141 0.7488 0.9215 -0.3882 -0.0115 0.2977 0.6872 0.6627 -0.0019 -7.0E-4 0.0026 -1.02 -0.375 1.395 -0.364 -0.134 0.498 -0.34 -0.125 0.465 18 H 1 0.2681 0.7293 -0.6295 -0.1099 0.6723 0.7321 0.9571 -0.1271 0.2604 -0.0155 0.0061 0.0095 -2.084 0.814 1.271 -0.744 0.29 0.453 -0.695 0.271 0.424 19 C 13 0.2524 0.8871 -0.3865 0.3305 0.2964 0.8961 0.9094 -0.3539 -0.2184 -0.0041 -0.0013 0.0054 -2.163 -0.693 2.856 -0.772 -0.247 1.019 -0.721 -0.231 0.953 20 H 1 -0.0915 0.7221 0.6857 0.9599 -0.1193 0.2538 -0.2651 -0.6814 0.6822 -0.0164 -0.0133 0.0298 -2.205 -1.789 3.995 -0.787 -0.639 1.425 -0.736 -0.597 1.332 21 C 13 -0.2175 -0.627 0.748 -0.0108 0.7679 0.6405 0.976 -0.1312 0.1738 -9.0E-4 -4.0E-4 0.0013 -0.484 -0.189 0.672 -0.173 -0.067 0.24 -0.161 -0.063 0.224 22 H 1 0.2125 0.8007 -0.56 -0.08 0.5855 0.8067 0.9739 -0.1266 0.1885 -0.001 -7.0E-4 0.0018 -0.555 -0.39 0.945 -0.198 -0.139 0.337 -0.185 -0.13 0.315 23 H 1 -0.0373 0.6874 0.7253 0.2384 0.711 -0.6616 0.9705 -0.1482 0.1904 -0.0024 -2.0E-4 0.0027 -1.305 -0.13 1.435 -0.466 -0.046 0.512 -0.435 -0.043 0.479 24 H 1 -0.1899 0.9809 0.0409 0.9193 0.1631 0.3582 -0.3447 -0.1057 0.9327 -0.0571 -0.0477 0.1048 -9.773 -8.165 17.938 -3.487 -2.914 6.401 -3.26 -2.724 5.984 25 B 11 0.1275 0.903 0.4103 0.7922 0.1562 -0.59 0.5968 -0.4002 0.6954 -0.0113 -2.0E-4 0.0115 -6.004 -0.13 6.134 -2.142 -0.046 2.189 -2.003 -0.043 2.046 26 H 1 0.641 -0.4028 0.6534 0.7631 0.426 -0.486 -0.0826 0.8101 0.5804 -0.0081 -0.0013 0.0094 -4.297 -0.702 5.0 -1.533 -0.251 1.784 -1.433 -0.234 1.668 27 H 1 -0.205 -0.1848 0.9612 -0.2678 0.9551 0.1265 0.9414 0.2315 0.2453 -0.1348 0.0557 0.0792 -18.095 7.47 10.625 -6.457 2.666 3.791 -6.036 2.492 3.544 28 C 13 -0.0473 0.9705 0.2363 0.1244 -0.229 0.9654 0.9911 0.075 -0.1099 -0.0091 1.0E-4 0.009 -4.835 0.028 4.807 -1.725 0.01 1.715 -1.613 0.009 1.604 29 H 1 0.9204 0.3321 0.2062 -0.3511 0.9342 0.0627 -0.1718 -0.1301 0.9765 -0.2261 -0.2179 0.4441 -30.347 -29.244 59.591 -10.829 -10.435 21.263 -10.123 -9.755 19.877 30 C 13 0.9714 -0.1771 0.1581 -0.178 -0.1032 0.9786 0.157 0.9788 0.1318 -0.0275 -2.0E-4 0.0277 -14.659 -0.121 14.779 -5.231 -0.043 5.274 -4.89 -0.04 4.93 31 H 1 0.3248 0.5623 0.7605 0.1961 0.7465 -0.6358 0.9252 -0.3556 -0.1322 -0.0055 -0.0035 0.009 -0.737 -0.474 1.211 -0.263 -0.169 0.432 -0.246 -0.158 0.404 32 C 13 0.8777 0.4372 0.1964 -0.4257 0.8993 -0.0997 -0.2202 0.0039 0.9754 -0.0224 -0.0148 0.0373 1.624 1.074 -2.699 0.58 0.383 -0.963 0.542 0.358 -0.9 33 O 17 -0.015 0.9967 0.0797 0.9981 0.0101 0.0607 -0.0597 -0.0805 0.995 -0.1731 -0.1721 0.3453 12.527 12.456 -24.983 4.47 4.445 -8.915 4.179 4.155 -8.334 34 O 17 0.7203 0.1369 0.68 -0.585 -0.4067 0.7017 -0.3726 0.9032 0.2129 -0.0013 -7.0E-4 0.002 -0.172 -0.091 0.263 -0.061 -0.032 0.094 -0.057 -0.03 0.088 35 C 13 0.2356 -0.1916 0.9528 0.8206 0.5645 -0.0894 -0.5207 0.8029 0.2902 -0.0015 -8.0E-4 0.0022 -0.78 -0.417 1.198 -0.278 -0.149 0.427 -0.26 -0.139 0.399 36 H 1 0.2548 -0.0012 0.967 0.8895 0.3925 -0.2339 -0.3793 0.9197 0.1011 -0.0011 -5.0E-4 0.0016 -0.598 -0.26 0.858 -0.213 -0.093 0.306 -0.2 -0.087 0.286 37 H 1 -0.0283 0.2624 0.9645 0.8496 0.5147 -0.1151 -0.5267 0.8162 -0.2375 -0.0015 -7.0E-4 0.0022 -0.812 -0.379 1.191 -0.29 -0.135 0.425 -0.271 -0.127 0.397 38 H 1 PT12883.500S Tue Oct 1 11:58:56 2024 -19.28862 -19.22191 -14.54395 -14.52370 -14.51350 -10.40073 -10.35951 -10.35933 -10.34865 -10.33422 -10.32112 -10.31691 -10.31648 -10.31573 -10.31266 -10.31166 -10.31107 -10.31046 -10.30813 -10.30081 -10.29670 -6.83655 -1.22790 -1.20417 -1.11036 -1.06540 -0.99320 -0.97599 -0.90512 -0.89629 -0.88675 -0.87256 -0.86550 -0.81476 -0.79359 -0.76465 -0.75161 -0.72597 -0.71802 -0.70036 -0.66110 -0.65057 -0.64077 -0.63413 -0.60939 -0.59762 -0.59277 -0.57573 -0.57249 -0.56451 -0.55849 -0.55260 -0.55123 -0.53916 -0.52786 -0.52430 -0.50646 -0.49902 -0.49006 -0.48002 -0.47810 -0.47520 -0.46407 -0.46147 -0.45586 -0.45135 -0.44393 -0.43772 -0.42910 -0.40175 -0.38471 -0.37475 -0.36096 -0.35987 -0.35574 -0.35449 -0.32722 -0.21137 -0.03081 0.02321 0.03408 0.05016 0.06621 0.10450 0.11238 0.12025 0.12704 0.13087 0.13494 0.14321 0.14857 0.15707 0.15844 0.16630 0.16778 0.17309 0.17775 0.17937 0.18729 0.19456 0.19531 0.20381 0.20736 0.21244 0.21441 0.21943 0.22602 0.23033 0.23892 0.24307 0.24686 0.25321 0.25774 0.26108 0.26349 0.26708 0.27129 0.27486 0.28057 0.28713 0.28758 0.29315 0.29995 0.30212 0.30506 0.31201 0.31467 0.31588 0.32553 0.32733 0.33023 0.33969 0.34524 0.35037 0.35109 0.36092 0.36194 0.36750 0.37248 0.37389 0.38341 0.38623 0.39151 0.39792 0.40285 0.40648 0.40957 0.41168 0.41724 0.42232 0.42632 0.43044 0.43294 0.44311 0.44539 0.44893 0.45228 0.46151 0.46400 0.47301 0.47629 0.47946 0.48356 0.48848 0.49095 0.49361 0.49511 0.50185 0.50527 0.51138 0.51572 0.51887 0.52311 0.52667 0.52812 0.53204 0.53475 0.53925 0.54495 0.55289 0.55524 0.55670 0.56105 0.56412 0.56673 0.57159 0.57308 0.58257 0.58588 0.58734 0.58992 0.60374 0.60565 0.61820 0.62104 0.63409 0.63828 0.64033 0.64565 0.65349 0.65858 0.66316 0.66984 0.67876 0.68426 0.68818 0.69337 0.69698 0.70551 0.71002 0.71141 0.72118 0.72467 0.72824 0.73105 0.73511 0.73868 0.74881 0.75282 0.76086 0.76261 0.76710 0.77562 0.78100 0.78917 0.79763 0.80002 0.80225 0.81466 0.81973 0.83112 0.83431 0.83615 0.84839 0.85037 0.85665 0.86022 0.86529 0.86671 0.87437 0.89139 0.89303 0.89367 0.89633 0.90741 0.91435 0.92355 0.93159 0.93686 0.94655 0.94959 0.95488 0.95782 0.96328 0.97360 0.97772 0.97996 0.98622 0.99002 0.99892 1.00837 1.01319 1.02221 1.02554 1.02904 1.03866 1.04143 1.05054 1.05496 1.06048 1.06460 1.07182 1.07425 1.08157 1.08973 1.09540 1.10492 1.10657 1.11409 1.11994 1.12966 1.13302 1.13990 1.14552 1.15288 1.15902 1.16099 1.16579 1.17424 1.18265 1.18763 1.19144 1.19650 1.20467 1.20717 1.21412 1.22483 1.22818 1.24063 1.24612 1.25488 1.26285 1.26774 1.27000 1.27368 1.27756 1.28523 1.29695 1.30092 1.30679 1.31991 1.32118 1.33898 1.34074 1.34488 1.35239 1.35865 1.36460 1.36874 1.37056 1.37986 1.38504 1.38862 1.39210 1.40078 1.40507 1.40657 1.41386 1.41729 1.42035 1.42960 1.43809 1.44542 1.45594 1.45926 1.46588 1.47307 1.48074 1.48449 1.49044 1.49528 1.49956 1.50227 1.51170 1.52105 1.52739 1.53013 1.53157 1.54240 1.54351 1.54777 1.55830 1.56600 1.57399 1.57997 1.59271 1.60199 1.60822 1.61231 1.61774 1.62534 1.63166 1.63799 1.64066 1.64165 1.65469 1.66088 1.66376 1.67169 1.67746 1.68917 1.70520 1.71051 1.71748 1.72585 1.72937 1.74401 1.74576 1.74891 1.75455 1.76025 1.76533 1.77150 1.79089 1.79201 1.79897 1.80229 1.81198 1.82063 1.83092 1.83557 1.84709 1.85372 1.86675 1.87056 1.87727 1.89157 1.90714 1.91381 1.92197 1.93614 1.94511 1.95339 1.96774 1.97789 1.98195 1.99726 2.00654 2.00959 2.01694 2.02615 2.02931 2.03992 2.05794 2.06197 2.06626 2.07028 2.08429 2.09023 2.09579 2.11466 2.11906 2.13441 2.13687 2.14309 2.14736 2.15798 2.17226 2.17936 2.18610 2.19879 2.22725 2.22978 2.23145 2.23892 2.26431 2.26658 2.28433 2.29405 2.29934 2.31145 2.32717 2.33055 2.33293 2.34751 2.35602 2.36736 2.38209 2.39099 2.39643 2.39882 2.40854 2.42026 2.43245 2.43725 2.44206 2.45187 2.45440 2.46653 2.47183 2.48061 2.49476 2.50332 2.50943 2.54629 2.56092 2.56940 2.57716 2.59568 2.61018 2.62185 2.63266 2.64531 2.64961 2.65577 2.67028 2.67889 2.68824 2.70624 2.72018 2.72710 2.73420 2.75212 2.75817 2.76768 2.77457 2.77625 2.78250 2.79123 2.79882 2.80480 2.81162 2.81645 2.82416 2.83160 2.83302 2.84082 2.84709 2.85396 2.86125 2.86959 2.87093 2.87703 2.88470 2.88879 2.89166 2.90101 2.91405 2.92021 2.92422 2.93500 2.94149 2.95149 2.95332 2.96432 2.97274 2.98265 2.99026 3.00141 3.00385 3.00720 3.01755 3.02554 3.03717 3.04010 3.04330 3.05152 3.05716 3.05936 3.06720 3.07545 3.08030 3.08411 3.09205 3.09508 3.09939 3.10273 3.10508 3.11012 3.12027 3.12551 3.12820 3.13227 3.14775 3.15285 3.16300 3.16370 3.17119 3.18163 3.18646 3.19510 3.20034 3.21029 3.21321 3.21612 3.21944 3.22602 3.23174 3.23527 3.23807 3.25181 3.25561 3.25690 3.26736 3.27020 3.27247 3.27715 3.27793 3.29553 3.29982 3.30896 3.32066 3.32430 3.33573 3.34178 3.34272 3.35540 3.36114 3.36899 3.37385 3.37728 3.38418 3.38826 3.39181 3.40148 3.40313 3.40968 3.41836 3.42182 3.42531 3.43051 3.43837 3.44127 3.44449 3.44819 3.45237 3.45761 3.46833 3.47179 3.47537 3.48193 3.48520 3.49515 3.50391 3.51248 3.51566 3.51997 3.52898 3.53272 3.53610 3.54172 3.55350 3.55962 3.56221 3.56369 3.57248 3.57493 3.57991 3.59111 3.60297 3.60889 3.62178 3.62981 3.63480 3.64202 3.64815 3.65706 3.66327 3.68310 3.69065 3.70335 3.71461 3.71726 3.73007 3.74478 3.75109 3.76052 3.76541 3.76897 3.77962 3.78153 3.79491 3.80220 3.80698 3.81490 3.82841 3.83057 3.83418 3.83472 3.83787 3.84349 3.84757 3.85347 3.85716 3.85931 3.86421 3.87318 3.88206 3.88873 3.89550 3.89904 3.90126 3.90782 3.91029 3.91571 3.92177 3.92616 3.93432 3.93687 3.95072 3.95764 3.95884 3.97031 3.97187 3.99013 3.99878 4.00595 4.01343 4.01854 4.02666 4.02931 4.04338 4.04733 4.05715 4.06199 4.07479 4.08043 4.10043 4.11385 4.11959 4.12581 4.12738 4.14759 4.14953 4.15787 4.16247 4.16383 4.17218 4.18159 4.19060 4.20103 4.21200 4.21708 4.21884 4.23828 4.23943 4.24278 4.24839 4.25632 4.27399 4.27783 4.27988 4.29072 4.29394 4.29924 4.30348 4.30948 4.31285 4.31709 4.32006 4.32541 4.33536 4.33855 4.34562 4.35249 4.35799 4.36612 4.37423 4.38245 4.38732 4.39831 4.40519 4.40810 4.42588 4.43218 4.44311 4.46587 4.46916 4.47542 4.48972 4.49210 4.50253 4.50357 4.51906 4.52281 4.52738 4.55746 4.56324 4.58597 4.60626 4.61510 4.61646 4.63180 4.63633 4.66257 4.67226 4.68334 4.69179 4.70087 4.71145 4.71970 4.72741 4.72887 4.73734 4.74685 4.75394 4.75890 4.76201 4.77067 4.78398 4.78707 4.79184 4.80292 4.81123 4.81519 4.82921 4.84577 4.85142 4.85887 4.86504 4.87552 4.88631 4.91022 4.91988 4.93414 4.94049 4.95174 4.95638 4.96861 4.98310 4.99739 5.00892 5.02085 5.02508 5.02642 5.03944 5.04465 5.04796 5.05694 5.08106 5.09034 5.09942 5.13429 5.13769 5.15194 5.16065 5.16469 5.16882 5.17557 5.19177 5.19778 5.20553 5.22350 5.22555 5.24171 5.24629 5.26448 5.27128 5.28962 5.29618 5.30382 5.31534 5.32562 5.33379 5.34207 5.34858 5.36052 5.37064 5.38602 5.39392 5.40786 5.42390 5.43848 5.45122 5.45601 5.46186 5.47262 5.48605 5.49410 5.50077 5.52055 5.53827 5.56611 5.57413 5.59382 5.60527 5.61686 5.62895 5.63370 5.64605 5.67040 5.68904 5.69040 5.69306 5.75082 5.75847 5.77247 5.77891 5.80511 5.82247 5.84320 5.87201 5.90568 5.92767 5.93840 5.98071 6.01967 6.03252 6.07678 6.12333 6.13918 6.15550 6.17884 6.22508 6.24885 6.26590 6.31886 6.33312 6.33951 6.42304 6.46738 6.48544 6.49455 6.56292 6.67482 6.77667 6.84260 6.86928 6.88118 6.90124 7.04119 7.08395 7.15865 7.18592 7.19783 7.28654 7.53048 7.58807 16.01100 22.75945 22.91183 23.09629 23.19465 23.20974 23.23717 23.26101 23.27859 23.29376 23.34459 23.37703 23.49406 23.66722 23.77820 24.08572 24.10573 32.16015 32.93932 33.24959 44.05643 44.38979 -19.28843 -19.21994 -14.54148 -14.52456 -14.50578 -10.40109 -10.36023 -10.35968 -10.34826 -10.33424 -10.32048 -10.31715 -10.31685 -10.31539 -10.31283 -10.31114 -10.31113 -10.31022 -10.30781 -10.29861 -10.29627 -6.83495 -1.22031 -1.20298 -1.10713 -1.06221 -0.99112 -0.97526 -0.90037 -0.89043 -0.88514 -0.87184 -0.86464 -0.81458 -0.78855 -0.76253 -0.75057 -0.72137 -0.71684 -0.69928 -0.66008 -0.64878 -0.63950 -0.63103 -0.59960 -0.59516 -0.58902 -0.57432 -0.57001 -0.56328 -0.55655 -0.55114 -0.55045 -0.53867 -0.52755 -0.52346 -0.50440 -0.49508 -0.48765 -0.47847 -0.47420 -0.46732 -0.46280 -0.45897 -0.45402 -0.44851 -0.43940 -0.43673 -0.41899 -0.40012 -0.37896 -0.36079 -0.35934 -0.35339 -0.35307 -0.34230 -0.31835 -0.01929 0.00592 0.02647 0.03479 0.05375 0.07950 0.10488 0.11266 0.12363 0.12732 0.13116 0.13781 0.14621 0.15249 0.15847 0.15919 0.16671 0.16828 0.17381 0.17867 0.17998 0.18825 0.19604 0.19679 0.20454 0.20792 0.21361 0.21492 0.22071 0.22761 0.23276 0.24221 0.24323 0.24887 0.25484 0.25791 0.26183 0.26484 0.26748 0.27238 0.27503 0.28146 0.28719 0.28793 0.29387 0.30017 0.30300 0.30646 0.31252 0.31612 0.31682 0.32570 0.32789 0.33220 0.34065 0.34626 0.35054 0.35222 0.36110 0.36207 0.36793 0.37278 0.37444 0.38485 0.38771 0.39316 0.39845 0.40360 0.40696 0.41055 0.41373 0.41793 0.42314 0.42824 0.43210 0.43359 0.44410 0.44629 0.45044 0.45314 0.46220 0.46435 0.47338 0.47737 0.48035 0.48440 0.48993 0.49141 0.49479 0.49741 0.50333 0.50575 0.51268 0.51660 0.51966 0.52458 0.52750 0.52919 0.53311 0.53545 0.53964 0.54556 0.55386 0.55588 0.55712 0.56198 0.56485 0.56738 0.57312 0.57453 0.58384 0.58579 0.58843 0.59080 0.60451 0.60620 0.61962 0.62249 0.63516 0.63929 0.64148 0.64680 0.65484 0.65935 0.66381 0.67182 0.67954 0.68495 0.68945 0.69427 0.69794 0.70600 0.71156 0.71195 0.72258 0.72507 0.72881 0.73141 0.73657 0.73923 0.74916 0.75398 0.76143 0.76338 0.76798 0.77645 0.78235 0.79002 0.79885 0.80100 0.80359 0.81566 0.82075 0.83196 0.83521 0.83649 0.84940 0.85078 0.85765 0.86119 0.86647 0.86726 0.87525 0.89230 0.89343 0.89453 0.89748 0.90828 0.91544 0.92439 0.93205 0.93788 0.94711 0.94994 0.95543 0.95868 0.96380 0.97406 0.97840 0.98040 0.98680 0.99114 0.99953 1.00948 1.01393 1.02221 1.02578 1.02967 1.03908 1.04165 1.05117 1.05580 1.06113 1.06497 1.07276 1.07490 1.08202 1.09108 1.09601 1.10606 1.10706 1.11528 1.12049 1.13004 1.13332 1.14064 1.14596 1.15415 1.16015 1.16173 1.16701 1.17541 1.18326 1.18847 1.19247 1.19762 1.20631 1.20852 1.21485 1.22571 1.22968 1.24175 1.24782 1.25568 1.26324 1.26830 1.27085 1.27509 1.27824 1.28656 1.29828 1.30206 1.30828 1.32068 1.32274 1.34003 1.34193 1.34574 1.35313 1.35964 1.36591 1.36983 1.37193 1.38223 1.38586 1.38996 1.39289 1.40205 1.40596 1.40727 1.41474 1.41790 1.42167 1.43101 1.43901 1.44654 1.45714 1.46019 1.47011 1.47436 1.48140 1.48554 1.49190 1.49614 1.50133 1.50454 1.51323 1.52211 1.52835 1.53117 1.53207 1.54304 1.54515 1.54858 1.55935 1.56739 1.57577 1.58099 1.59571 1.60467 1.60894 1.61383 1.61887 1.62633 1.63284 1.63900 1.64200 1.64327 1.65623 1.66229 1.66465 1.67252 1.67848 1.69001 1.70636 1.71318 1.71925 1.73068 1.73200 1.74530 1.74679 1.75000 1.75559 1.76175 1.76697 1.77284 1.79334 1.79395 1.80010 1.80356 1.81411 1.82339 1.83382 1.83736 1.84777 1.85493 1.86801 1.87278 1.87976 1.89298 1.90952 1.91603 1.92533 1.93920 1.94914 1.95545 1.97011 1.98022 1.98591 2.00020 2.00755 2.01310 2.01770 2.02706 2.03265 2.04276 2.05895 2.06358 2.06729 2.07224 2.08650 2.09146 2.09763 2.11684 2.12127 2.13602 2.13872 2.14521 2.15151 2.16006 2.17416 2.18275 2.18797 2.20088 2.23067 2.23258 2.23405 2.24597 2.26801 2.26952 2.28849 2.29832 2.30087 2.31329 2.32963 2.33370 2.33527 2.35042 2.35708 2.36934 2.38495 2.39407 2.40006 2.40122 2.40962 2.42219 2.43358 2.44049 2.44552 2.45339 2.45571 2.46872 2.47431 2.48189 2.49673 2.50527 2.51184 2.54906 2.56296 2.57236 2.58286 2.59813 2.61274 2.62350 2.63394 2.64731 2.65123 2.65674 2.67418 2.68053 2.69034 2.70862 2.72216 2.72862 2.73629 2.75392 2.75927 2.76824 2.77753 2.77778 2.78354 2.79215 2.79979 2.80756 2.81338 2.81873 2.82461 2.83322 2.83430 2.84221 2.84890 2.85528 2.86252 2.87121 2.87176 2.87762 2.88562 2.88980 2.89283 2.90171 2.91516 2.92092 2.92606 2.93613 2.94329 2.95266 2.95578 2.96638 2.97331 2.98348 2.99175 3.00214 3.00537 3.00814 3.01961 3.02653 3.03864 3.04125 3.04420 3.05240 3.05815 3.06006 3.06826 3.07625 3.08102 3.08475 3.09285 3.09559 3.09988 3.10384 3.10544 3.11102 3.12066 3.12665 3.12871 3.13422 3.14960 3.15370 3.16355 3.16558 3.17216 3.18263 3.18726 3.19617 3.20095 3.21102 3.21411 3.21785 3.22037 3.22623 3.23285 3.23635 3.23878 3.25256 3.25614 3.25802 3.26829 3.27099 3.27310 3.27790 3.27865 3.29664 3.30097 3.31060 3.32125 3.32810 3.33700 3.34301 3.34360 3.35597 3.36168 3.36937 3.37448 3.37769 3.38471 3.38892 3.39226 3.40194 3.40365 3.41133 3.41907 3.42279 3.42811 3.43235 3.43882 3.44202 3.44536 3.44967 3.45314 3.45812 3.46894 3.47349 3.47899 3.48259 3.48644 3.49595 3.50462 3.51339 3.51674 3.52115 3.52964 3.53351 3.53688 3.54244 3.55421 3.56019 3.56278 3.56398 3.57324 3.57569 3.58089 3.59210 3.60414 3.61054 3.62266 3.63074 3.63554 3.64334 3.64875 3.65770 3.66427 3.68414 3.69135 3.70428 3.71664 3.71862 3.73105 3.74640 3.75209 3.76339 3.76654 3.77142 3.78044 3.78237 3.79576 3.80384 3.80798 3.81593 3.82920 3.83150 3.83511 3.83633 3.83963 3.84473 3.84998 3.85494 3.85805 3.86037 3.86547 3.87507 3.88401 3.88965 3.89696 3.90029 3.90223 3.90869 3.91102 3.91645 3.92282 3.92859 3.93549 3.93946 3.95149 3.95914 3.96093 3.97159 3.97340 3.99108 4.00077 4.00747 4.01469 4.01993 4.02886 4.03053 4.04419 4.04859 4.05854 4.06367 4.07558 4.08125 4.10175 4.11566 4.12154 4.12690 4.12888 4.14894 4.15083 4.15902 4.16271 4.16575 4.17310 4.18256 4.19142 4.20201 4.21265 4.21766 4.21972 4.23968 4.24061 4.24353 4.24935 4.25755 4.27483 4.27874 4.28119 4.29138 4.29507 4.30049 4.30439 4.31001 4.31368 4.31814 4.32077 4.32561 4.33642 4.33966 4.34651 4.35458 4.35884 4.36684 4.37517 4.38325 4.38889 4.39928 4.40616 4.40887 4.42757 4.43279 4.44404 4.46717 4.46969 4.47635 4.49090 4.49506 4.50387 4.50475 4.52048 4.52444 4.52901 4.55819 4.56424 4.58717 4.60696 4.61582 4.61737 4.63290 4.63768 4.66336 4.67365 4.68471 4.69348 4.70150 4.71239 4.72068 4.72877 4.73144 4.73940 4.74845 4.75612 4.76032 4.76309 4.77220 4.78564 4.78889 4.79250 4.80403 4.81336 4.82229 4.83052 4.84791 4.85429 4.86122 4.86722 4.87814 4.88814 4.91292 4.92413 4.93549 4.94266 4.95490 4.96185 4.97083 4.98729 5.00147 5.01144 5.02259 5.02735 5.03082 5.04178 5.04757 5.05133 5.05867 5.08330 5.09287 5.10175 5.13660 5.13998 5.15394 5.16210 5.16633 5.17041 5.17738 5.19327 5.20000 5.20716 5.22471 5.22857 5.24368 5.24840 5.26642 5.27186 5.29284 5.29828 5.30552 5.31717 5.32802 5.33509 5.34368 5.35087 5.36284 5.37117 5.38645 5.39467 5.40851 5.42530 5.43958 5.45203 5.45751 5.46252 5.47421 5.48710 5.49531 5.50181 5.52198 5.53997 5.56741 5.57516 5.59428 5.60751 5.61848 5.63481 5.63711 5.64931 5.67114 5.69009 5.69201 5.69427 5.75191 5.75937 5.77415 5.78032 5.80668 5.82385 5.84715 5.87473 5.90614 5.92912 5.93954 5.98182 6.02152 6.03378 6.07858 6.12410 6.14012 6.15683 6.18049 6.22585 6.24936 6.26786 6.31983 6.33537 6.34368 6.42477 6.47351 6.48684 6.49616 6.56444 6.68100 6.77704 6.84377 6.87046 6.88229 6.90600 7.04266 7.08509 7.16623 7.18802 7.20257 7.28791 7.53092 7.58853 16.01500 22.75955 22.91201 23.10219 23.19450 23.20986 23.23751 23.26092 23.27858 23.29387 23.34496 23.37612 23.49398 23.66686 23.77741 24.08575 24.10582 32.16965 32.93868 33.25208 44.05824 44.39001 2-A. 5.5100 4.2777 1.4161 7.1179 -132.9105 -122.6160 -131.0599 -16.2906 2.6470 2.0722 -4.0484 6.2462 -2.1978 -16.2906 2.6470 2.0722 203.9632 34.2577 14.6305 -1.0605 70.6994 18.1362 -0.5249 1.3478 6.9348 17.4185 -9195.1481 -1971.7385 -581.5111 -718.4415 115.8324 -13.6815 13.1573 -25.6054 7.6706 -1842.1213 -1532.8881 -482.0164 91.9466 -23.4247 -3.9498 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-NODO02 NSF 2024-10-01T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-959.450361 S2=0.804908 S2-1=0. S2A=0.751037 RMSD=8.754e-09 Dipole=2.1626599,1.7172826,0.4647489 Quadrupole=-2.9563753,4.7356042,-1.7792289,-12.0032064,2.6427726,1.1655809 PG=C01 [X(C16H17B1N3O2)] 0 1.0506131917 1.0816223841 -0.3089626429 0 -0.2439947246 0.7534006214 -0.7256476767 0 -1.247226773 1.7130153062 -0.8466920035 0 -0.8927657134 3.0307952466 -0.5790006008 0 0.4194966134 3.3703605623 -0.2063256723 0 1.4147771124 2.4100672815 -0.0609649155 0 -2.2600928435 1.4253635882 -1.1270770725 0 -1.6449169139 3.8170499366 -0.6633763371 0 0.6660852796 4.417661417 -0.0209828422 0 2.4297652715 2.6860170744 0.2218139679 0 -0.2546098102 -0.6222484879 -0.9404095156 0 0.9373973986 -1.1435294317 -0.6608580737 0 1.7270997656 -0.1194553445 -0.2717812926 0 3.0791448704 -0.3766025194 0.045462655 0 3.7110162841 0.3382533257 1.0668221158 0 3.7713591802 -1.3667013242 -0.6585802602 0 5.0485395132 0.0806188115 1.3588669284 0 3.153249957 1.0710834318 1.6511945048 0 5.1018514096 -1.6245627818 -0.3447628152 0 3.2543867967 -1.9246519244 -1.4395697225 0 5.7484993629 -0.8982252046 0.6558782712 0 5.5401852181 0.6403726449 2.1570847377 0 5.6411978007 -2.3982802143 -0.8949056147 0 6.7946997579 -1.1009359509 0.8924079904 0 -1.435849774 -1.4509669119 -1.2336524883 0 -2.3431911481 -0.8387384302 -1.7387552513 0 -1.2055896669 -2.5976326779 -1.5173136599 0 -2.035110423 -1.6256727209 0.7732499605 0 -1.8773901045 -0.5840995252 1.0660590834 0 -3.3268206943 -2.0674983139 0.6274778802 0 -3.5608359913 -3.1268187152 0.5040786365 0 -4.4838191987 -1.1731312795 0.4999459133 0 -4.1402088969 0.1317655834 0.5066759659 0 -5.6294929888 -1.5432018557 0.398391294 0 -5.2066000751 1.0545312417 0.4043155194 0 -5.9096375408 0.9413843872 1.2428258714 0 -4.7536787231 2.0528976697 0.4274080882 0 -5.763541879 0.9122219884 -0.5336265825 0 -1.2413639006 -2.3346348884 1.0241116559