Gaussian 16 GINC-NODO02 CECILIA coments ES64L-G16RevC.02 15-Jul-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 42 42 73 74 376 (5D, 7F) def2SVP 120 120 C1[X(C12H24BNO3P)] C1[X(C12H24BNO3P)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 247.91806099999985 0 2 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-3.1085,.0194,-.2303;-2.6435,-.9465,-1.1369;-2.905,-1.9222,-.7839;-3.0915,-.7818,-2.0945;-2.926,1.3905,-.6495;-3.2956,1.5172,-1.678;-3.503,2.0634,.0043;-1.8631,1.7046,-.6246;-2.7865,-.2213,1.1559;-3.3437,.4788,1.7978;-3.084,-1.2436,1.4364;-1.7058,-.1088,1.3772;1.0663,-.774,-1.109;1.8977,-.1242,.4032;1.4551,1.3731,.7839;1.5964,-.8975,1.7899;3.5285,-.1017,.5097;1.8869,2.0111,1.9751;1.6342,-2.3119,1.8574;4.3095,.2292,-.6259;1.6453,3.0763,1.8743;1.3622,1.5953,2.8476;2.972,1.8915,2.1148;2.6464,-2.6881,1.6404;1.3586,-2.5926,2.8815;.9188,-2.7599,1.15;5.3471,-.0466,-.3983;3.9715,-.3223,-1.5179;4.2636,1.3097,-.837;1.6331,-2.2979,-1.3904;.9031,-3.4047,-.9554;2.8411,-2.48,-2.0634;1.382,-4.6929,-1.193;-.0494,-3.2611,-.425;3.3195,-3.7687,-2.3019;3.4167,-1.6079,-2.4064;2.5901,-4.875,-1.8666;.8068,-5.5654,-.8506;4.2718,-3.912,-2.8327;2.9673,-5.8908,-2.0543;.2681,-.2002,-1.7617;-1.5796,-.8718,-1.2232; /usr/local/CompChem/Gaussian/g16/g16 Output=8fos_TMA_add1.log chk=8fos_TMA_add1.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 14 12 1 1 12 1 1 1 12 1 1 1 11 31 16 16 16 12 12 12 1 1 1 1 1 1 1 1 1 12 12 12 12 1 12 1 12 1 1 1 1 1 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 30.9737634 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 1 1 0 1 1 1 0 1 1 1 3 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 R42 1 1 1 2 2 2 5 5 5 9 9 9 13 13 13 14 14 14 15 16 17 18 18 18 19 19 19 20 20 20 30 30 31 31 32 32 33 33 35 35 37 41 2 5 9 3 4 42 6 7 8 10 11 12 14 30 41 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 31 32 33 34 35 36 37 38 37 39 40 42 1.404 1.4454 1.4433 1.07 1.07 1.07 1.1002 1.1014 1.1086 1.1012 1.101 1.1088 1.8439 1.65 1.18 1.6071 1.6161 1.6345 1.4187 1.4165 1.4174 1.0968 1.0998 1.1006 1.1014 1.097 1.1014 1.0974 1.1018 1.1019 1.3954 1.3948 1.3947 1.0997 1.3951 1.0998 1.3952 1.0997 1.3948 1.0996 1.0996 2.0384 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 2 2 5 1 1 1 3 3 4 1 1 1 6 6 7 1 1 1 10 10 11 14 14 30 13 13 13 15 15 16 14 14 14 15 15 15 21 21 22 16 16 16 24 24 25 17 17 17 27 27 28 13 13 31 30 30 33 30 30 35 31 31 37 32 32 37 33 33 35 13 2 1 1 1 2 2 2 2 2 2 5 5 5 5 5 5 9 9 9 9 9 9 13 13 13 14 14 14 14 14 14 15 16 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 30 30 30 31 31 31 32 32 32 33 33 33 35 35 35 37 37 37 41 42 5 9 9 3 4 42 4 42 42 6 7 8 7 8 8 10 11 12 11 12 12 30 41 41 15 16 17 16 17 17 18 19 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 31 32 32 33 34 34 35 36 36 37 38 38 37 39 39 35 40 40 42 41 115.0585 115.5649 114.1193 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 109.7514 109.9512 112.5362 107.9782 108.0879 108.4104 109.9319 109.8285 113.0888 107.7655 108.1981 107.8642 108.0877 125.9562 125.9562 113.4812 116.8075 120.5407 101.025 104.2735 97.8526 122.2833 120.9111 120.0507 107.0107 110.5411 110.9665 109.5705 109.5409 109.1789 110.8696 107.0505 110.9882 109.1168 109.3572 109.4073 107.227 111.2665 111.0656 109.4015 108.9977 108.8378 119.9811 120.0249 119.994 119.9942 119.993 120.0128 120.0047 120.0113 119.984 120.0086 120.0106 119.9808 120.0 119.992 120.008 119.9985 119.9972 120.0043 107.8663 161.0157 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 5 5 5 9 9 9 2 2 2 9 9 9 2 2 2 5 5 5 1 3 4 30 30 30 41 41 41 14 14 41 41 14 30 13 16 17 13 15 17 13 15 16 14 14 14 14 14 14 14 14 14 13 13 32 32 13 13 31 31 30 30 34 34 30 30 36 36 31 31 38 38 32 32 39 39 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 30 30 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 35 35 35 35 41 2 2 2 2 2 2 5 5 5 5 5 5 9 9 9 9 9 9 42 42 42 14 14 14 14 14 14 30 30 30 30 41 41 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 31 31 31 31 32 32 32 32 33 33 33 33 35 35 35 35 37 37 37 37 37 37 37 37 42 3 4 42 3 4 42 6 7 8 6 7 8 10 11 12 10 11 12 41 41 41 15 16 17 15 16 17 31 32 31 32 42 42 18 18 18 19 19 19 20 20 20 21 22 23 24 25 26 27 28 29 33 34 33 34 35 36 35 36 37 38 37 38 37 39 37 39 35 40 35 40 33 40 33 40 2 -174.6634 -54.6634 65.3366 48.9744 168.9744 -71.0256 49.2684 167.9035 -71.1394 -173.7383 -55.1031 65.8539 -169.6573 -51.2474 69.2972 53.5737 171.9835 -67.4719 -76.6003 163.3997 43.3997 179.031 -64.0248 54.3907 -0.969 115.9752 -125.6093 97.298 -82.7326 -82.702 97.2674 -99.5648 80.4352 174.2689 48.4237 -52.7156 45.9453 169.537 -84.1768 38.8247 -90.0388 166.4119 166.9059 -73.8382 47.4459 63.3208 -177.7628 -58.428 -166.8593 -47.2633 74.1505 -179.9964 -0.0151 0.0341 -179.9846 -179.9563 0.031 0.0131 -179.9995 -0.0568 -179.9777 179.9619 0.041 -0.0376 179.9881 179.975 0.0007 0.0323 -179.9729 179.9532 -0.052 0.0149 -179.9798 179.9892 -0.0055 168.9237 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 394 A 376 A 630 394 1550.7853153220 42 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 57 out of a maximum of 199 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00048 0.00062 0.00266 0.00359 0.00608 0.00737 0.00826 0.00974 0.01022 0.01133 0.01365 0.01879 0.01991 0.02152 0.02156 0.02157 0.02159 0.02167 0.02210 0.02242 0.02361 0.02696 0.03066 0.03262 0.04452 0.05012 0.06773 0.07146 0.07293 0.07446 0.07575 0.07627 0.07947 0.08805 0.10043 0.10173 0.10216 0.10238 0.10604 0.10629 0.10708 0.11803 0.12761 0.14158 0.15451 0.15745 0.15879 0.15961 0.15979 0.15988 0.15999 0.16000 0.16001 0.16009 0.16012 0.16013 0.16022 0.16028 0.16038 0.16071 0.16128 0.16215 0.16278 0.16865 0.17499 0.17746 0.17780 0.19530 0.20502 0.21362 0.22012 0.22039 0.22557 0.22633 0.24242 0.24723 0.25022 0.25685 0.26318 0.27778 0.32064 0.33269 0.33410 0.33472 0.33512 0.33542 0.33558 0.33620 0.33636 0.33678 0.33702 0.33722 0.33726 0.33775 0.33808 0.33919 0.33982 0.34030 0.34039 0.34137 0.36800 0.37186 0.37528 0.39636 0.40300 0.40421 0.42086 0.42670 0.42860 0.43891 0.44707 0.45212 0.45960 0.46490 0.46548 0.46689 0.48111 0.49985 0.56933 0.78053 -6.95034980e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 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 2.73056 2.72588 2.73076 2.08058 2.08152 2.10059 2.08130 2.08226 2.10508 2.08259 2.08058 2.10082 3.48894 2.92437 2.27972 3.02027 3.06093 3.07115 2.68511 2.68048 2.68715 2.07211 2.07665 2.07995 2.08024 2.07262 2.08166 2.07299 2.08008 2.08061 2.67591 2.67687 2.62719 2.06559 2.62944 2.06803 2.63994 2.06531 2.63804 2.06542 2.06405 5.28518 1.95441 1.96244 1.96749 1.92098 1.92041 1.97224 1.88139 1.88259 1.88348 1.92177 1.92284 1.97960 1.87792 1.87499 1.88326 1.91871 1.92146 1.98248 1.87711 1.88900 1.87158 2.13089 1.97638 2.17256 1.93796 2.12651 2.03183 1.75054 1.87569 1.70485 2.13835 2.11612 2.10313 1.86337 1.92948 1.93838 1.91613 1.91021 1.90587 1.92831 1.86917 1.94037 1.91019 1.91271 1.90231 1.86411 1.93921 1.93554 1.91115 1.90618 1.90698 2.07305 2.18276 2.02659 2.13016 2.07202 2.08095 2.12969 2.09030 2.06314 2.10028 2.09010 2.09280 2.09997 2.08950 2.09371 2.07953 2.10220 2.10145 1.67068 2.65585 -3.09142 -1.02055 1.08598 0.95544 3.02631 -1.15035 1.00502 3.07359 -1.09658 -3.04452 -0.97595 1.13706 -3.06978 -1.00493 1.09401 0.98398 3.04883 -1.13542 -0.86978 -2.99730 1.25763 2.86294 -1.36660 0.70958 -0.36288 1.69077 -2.51624 3.09691 -0.00022 0.04923 -3.04791 -2.16368 0.89135 2.96658 0.69559 -1.07614 1.02875 -3.11046 -1.20085 0.80769 -1.37757 3.10114 2.91878 -1.28096 0.83750 1.26405 -2.94002 -0.86364 3.08897 -1.11088 1.01370 -3.08337 0.04590 0.01770 -3.13622 3.08174 -0.04789 -0.01646 3.13709 -0.00620 3.13290 -3.13541 0.00370 0.00372 -3.13399 3.13353 -0.00418 -0.00744 3.13697 3.13664 -0.00214 0.00865 -3.13576 -3.13684 0.00194 1.56073 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00002 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -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 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 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 -0.00003 -0.00002 0.00001 0.00002 0.00001 0.00000 0.00000 0.00002 0.00000 0.00000 0.00001 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 0.00003 0.00000 -0.00001 -0.00002 -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 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00048 -0.00002 0.00001 0.00003 0.00003 0.00002 -0.00007 -0.00000 0.00004 -0.00001 -0.00000 0.00003 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 0.00005 -0.00001 0.00000 -0.00001 -0.00001 -0.00003 0.00003 -0.00002 0.00004 -0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00005 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00003 -0.00001 -0.00002 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00014 0.00016 -0.00029 -0.00027 -0.00032 -0.00032 -0.00029 -0.00034 0.00012 0.00014 0.00014 0.00015 0.00016 0.00017 -0.00009 -0.00012 -0.00011 -0.00009 -0.00012 -0.00012 0.00049 0.00047 0.00046 0.00010 0.00011 0.00011 0.00008 0.00009 0.00009 -0.00012 -0.00011 -0.00009 -0.00008 0.00003 0.00000 0.00012 0.00008 0.00010 0.00007 0.00007 0.00007 -0.00005 -0.00003 -0.00002 0.00007 0.00007 0.00008 -0.00031 -0.00031 -0.00031 0.00005 0.00006 0.00005 0.00005 0.00003 0.00004 0.00001 -0.00005 -0.00004 -0.00003 -0.00002 -0.00002 -0.00002 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00002 0.00002 -0.00049 -0.00000 0.00003 0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00000 -0.00003 -0.00000 -0.00000 -0.00001 0.00006 0.00001 0.00003 0.00003 -0.00001 -0.00001 -0.00001 0.00002 0.00004 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00002 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00054 0.00003 0.00001 -0.00003 -0.00004 -0.00002 0.00011 -0.00000 -0.00007 0.00002 -0.00001 -0.00004 -0.00002 0.00001 0.00000 0.00006 0.00000 0.00001 -0.00006 0.00001 0.00001 0.00003 0.00004 -0.00016 0.00015 -0.00006 -0.00000 0.00005 0.00002 -0.00004 0.00004 -0.00001 -0.00009 -0.00004 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00005 0.00003 0.00005 0.00001 -0.00000 -0.00003 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00002 0.00004 -0.00004 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00006 -0.00036 0.00009 0.00005 0.00013 0.00010 0.00005 0.00014 -0.00041 -0.00042 -0.00039 -0.00039 -0.00041 -0.00037 0.00009 0.00012 0.00013 0.00007 0.00009 0.00010 0.00012 0.00015 0.00017 -0.00037 -0.00040 -0.00029 -0.00004 -0.00008 0.00003 0.00043 0.00039 0.00009 0.00004 -0.00035 -0.00002 -0.00007 -0.00005 -0.00009 -0.00033 -0.00040 -0.00043 -0.00001 0.00008 0.00005 0.00036 0.00036 0.00036 0.00103 0.00103 0.00104 -0.00000 -0.00002 -0.00001 -0.00008 -0.00004 -0.00003 0.00000 0.00008 0.00005 0.00004 -0.00000 0.00002 0.00002 -0.00002 -0.00002 -0.00002 -0.00001 0.00002 0.00003 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00034 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00000 -0.00000 -0.00001 0.00006 -0.00001 0.00002 0.00002 -0.00002 0.00002 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 0.00001 0.00002 -0.00000 -0.00002 -0.00000 0.00004 -0.00000 -0.00003 0.00001 -0.00002 -0.00000 -0.00002 0.00001 -0.00001 0.00004 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00002 0.00003 -0.00019 0.00018 -0.00008 0.00004 0.00004 0.00001 -0.00003 0.00003 -0.00001 -0.00004 -0.00004 0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00003 0.00002 0.00002 0.00001 -0.00000 -0.00002 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00005 -0.00004 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00008 -0.00020 -0.00020 -0.00022 -0.00018 -0.00022 -0.00024 -0.00020 -0.00028 -0.00028 -0.00024 -0.00025 -0.00025 -0.00021 0.00000 -0.00000 0.00001 -0.00002 -0.00003 -0.00001 0.00060 0.00062 0.00063 -0.00026 -0.00029 -0.00018 0.00004 0.00001 0.00012 0.00031 0.00028 -0.00000 -0.00004 -0.00032 -0.00002 0.00004 0.00003 0.00001 -0.00026 -0.00033 -0.00036 -0.00006 0.00004 0.00003 0.00043 0.00044 0.00044 0.00072 0.00073 0.00073 0.00005 0.00004 0.00004 -0.00002 -0.00001 0.00001 0.00002 0.00004 0.00001 0.00000 -0.00003 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00002 0.00002 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00016 2.73055 2.72589 2.73077 2.08057 2.08152 2.10059 2.08130 2.08226 2.10506 2.08259 2.08058 2.10081 3.48900 2.92437 2.27974 3.02029 3.06090 3.07117 2.68511 2.68049 2.68716 2.07211 2.07666 2.07996 2.08024 2.07262 2.08166 2.07299 2.08008 2.08061 2.67591 2.67688 2.62718 2.06559 2.62944 2.06804 2.63994 2.06532 2.63804 2.06542 2.06406 5.28513 1.95442 1.96246 1.96749 1.92097 1.92041 1.97229 1.88139 1.88256 1.88349 1.92175 1.92284 1.97957 1.87793 1.87499 1.88331 1.91870 1.92145 1.98246 1.87711 1.88901 1.87160 2.13092 1.97620 2.17275 1.93788 2.12655 2.03187 1.75055 1.87565 1.70488 2.13835 2.11608 2.10309 1.86337 1.92950 1.93837 1.91612 1.91021 1.90587 1.92828 1.86919 1.94039 1.91020 1.91271 1.90229 1.86412 1.93920 1.93554 1.91115 1.90618 1.90699 2.07310 2.18272 2.02658 2.13016 2.07201 2.08095 2.12969 2.09030 2.06314 2.10029 2.09011 2.09279 2.09997 2.08951 2.09370 2.07953 2.10219 2.10146 1.67060 2.65566 -3.09162 -1.02077 1.08579 0.95522 3.02607 -1.15055 1.00474 3.07331 -1.09682 -3.04477 -0.97620 1.13685 -3.06978 -1.00494 1.09402 0.98396 3.04880 -1.13543 -0.86918 -2.99668 1.25827 2.86268 -1.36688 0.70940 -0.36284 1.69079 -2.51612 3.09722 0.00006 0.04922 -3.04794 -2.16400 0.89133 2.96662 0.69563 -1.07613 1.02848 -3.11079 -1.20120 0.80763 -1.37752 3.10117 2.91921 -1.28053 0.83794 1.26477 -2.93929 -0.86292 3.08902 -1.11084 1.01374 -3.08339 0.04588 0.01770 -3.13620 3.08177 -0.04789 -0.01646 3.13707 -0.00621 3.13290 -3.13542 0.00369 0.00371 -3.13399 3.13355 -0.00415 -0.00744 3.13696 3.13663 -0.00215 0.00866 -3.13574 -3.13683 0.00195 1.56057 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000021 0.000005 0.001218 0.000353 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.111792e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 2 2 2 5 5 5 9 9 9 13 13 13 14 14 14 15 16 17 18 18 18 19 19 19 20 20 20 30 30 31 31 32 32 33 33 35 35 37 41 2 5 9 3 4 42 6 7 8 10 11 12 14 30 41 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 31 32 33 34 35 36 37 38 37 39 40 42 1.445 1.4425 1.4451 1.101 1.1015 1.1116 1.1014 1.1019 1.114 1.1021 1.101 1.1117 1.8463 1.5475 1.2064 1.5983 1.6198 1.6252 1.4209 1.4184 1.422 1.0965 1.0989 1.1007 1.1008 1.0968 1.1016 1.097 1.1007 1.101 1.416 1.4165 1.3902 1.0931 1.3914 1.0944 1.397 1.0929 1.396 1.093 1.0923 2.7968 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 2 2 5 1 1 1 3 3 4 1 1 1 6 6 7 1 1 1 10 10 11 14 14 30 13 13 13 15 15 16 14 14 14 15 15 15 21 21 22 16 16 16 24 24 25 17 17 17 27 27 28 13 13 31 30 30 33 30 30 35 31 31 37 32 32 37 33 33 35 13 2 1 1 1 2 2 2 2 2 2 5 5 5 5 5 5 9 9 9 9 9 9 13 13 13 14 14 14 14 14 14 15 16 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 30 30 30 31 31 31 32 32 32 33 33 33 35 35 35 37 37 37 41 42 5 9 9 3 4 42 4 42 42 6 7 8 7 8 8 10 11 12 11 12 12 30 41 41 15 16 17 16 17 17 18 19 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 31 32 32 33 34 34 35 36 36 37 38 38 37 39 39 35 40 40 42 41 111.9797 112.4397 112.729 110.0643 110.0315 113.0011 107.7957 107.8644 107.9155 110.1092 110.1705 113.4225 107.5968 107.4292 107.903 109.9339 110.0913 113.5875 107.5504 108.2317 107.2335 122.0908 113.2384 124.4788 111.0369 121.8403 116.4153 100.2984 107.4689 97.6807 122.5187 121.2448 120.5005 106.7633 110.5511 111.0611 109.786 109.4468 109.1984 110.4841 107.0955 111.175 109.446 109.5905 108.9945 106.8059 111.1083 110.8982 109.5008 109.2158 109.2619 118.7769 125.0629 116.1149 122.049 118.7178 119.2296 122.022 119.7656 118.209 120.3373 119.754 119.9085 120.3193 119.7198 119.9605 119.1484 120.447 120.4045 95.7229 152.1692 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 9 9 9 2 2 2 9 9 9 2 2 2 5 5 5 1 3 4 30 30 30 41 41 41 14 14 41 41 14 30 13 16 17 13 15 17 13 15 16 14 14 14 14 14 14 14 14 14 13 13 32 32 13 13 31 31 30 30 34 34 30 30 36 36 31 31 38 38 32 32 39 39 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 30 30 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 35 35 35 35 2 2 2 2 2 2 5 5 5 5 5 5 9 9 9 9 9 9 42 42 42 14 14 14 14 14 14 30 30 30 30 41 41 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 31 31 31 31 32 32 32 32 33 33 33 33 35 35 35 35 37 37 37 37 37 37 37 37 3 4 42 3 4 42 6 7 8 6 7 8 10 11 12 10 11 12 41 41 41 15 16 17 15 16 17 31 32 31 32 42 42 18 18 18 19 19 19 20 20 20 21 22 23 24 25 26 27 28 29 33 34 33 34 35 36 35 36 37 38 37 38 37 39 37 39 35 40 35 40 33 40 33 40 -177.1252 -58.4734 62.2218 54.7428 173.3947 -65.9102 57.5835 176.104 -62.8293 -174.4382 -55.9178 65.149 -175.8857 -57.5784 62.6821 56.3777 174.685 -65.0545 -49.8349 -171.7326 72.0571 164.0344 -78.3003 40.656 -20.7912 96.8741 -144.1697 177.44 -0.0128 2.8206 -174.6323 -123.9697 51.0705 169.9725 39.8546 -61.6584 58.943 -178.2161 -68.8034 46.2774 -78.9288 177.6824 167.2336 -73.3939 47.9853 72.4247 -168.4508 -49.4831 176.9849 -63.6489 58.0808 -176.6641 2.6298 1.0141 -179.6921 176.5705 -2.7441 -0.9431 179.7423 -0.3554 179.5021 -179.6458 0.2117 0.2133 -179.5642 179.5381 -0.2394 -0.4263 179.7349 179.7165 -0.1224 0.4954 -179.6656 -179.7276 0.1113 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0306598558 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-3.1085,.0194,-.2303;-2.6435,-.9465,-1.1369;-2.905,-1.9222,-.7839;-3.0915,-.7818,-2.0945;-2.926,1.3905,-.6495;-3.2956,1.5172,-1.678;-3.503,2.0634,.0043;-1.8631,1.7046,-.6246;-2.7865,-.2213,1.1559;-3.3437,.4788,1.7978;-3.084,-1.2436,1.4363;-1.7058,-.1088,1.3772;1.0663,-.774,-1.109;1.8977,-.1242,.4032;1.4551,1.3731,.7839;1.5964,-.8975,1.7899;3.5285,-.1017,.5097;1.8869,2.0111,1.9751;1.6342,-2.3119,1.8574;4.3096,.2292,-.6259;1.6453,3.0763,1.8743;1.3622,1.5953,2.8476;2.972,1.8915,2.1148;2.6464,-2.6881,1.6404;1.3586,-2.5926,2.8815;.9188,-2.7599,1.15;5.3471,-.0466,-.3983;3.9715,-.3223,-1.5179;4.2636,1.3097,-.837;1.6331,-2.2979,-1.3904;.9031,-3.4047,-.9554;2.8412,-2.48,-2.0634;1.382,-4.6929,-1.193;-.0494,-3.2611,-.425;3.3195,-3.7687,-2.3019;3.4167,-1.6079,-2.4064;2.5901,-4.875,-1.8666;.8068,-5.5654,-.8506;4.2718,-3.912,-2.8327;2.9673,-5.8908,-2.0543;.2682,-.2002,-1.7617;-1.5796,-.8718,-1.2232; 0.000000 1.404006 0.000000 2.029201 1.070000 0.000000 2.029201 1.070000 1.747303 0.000000 1.445378 2.404030 3.315531 2.614298 0.000000 2.091474 2.605385 3.575103 2.345327 1.100175 0.000000 2.094930 3.331828 4.106587 3.559487 1.101441 1.780898 0.000000 2.132235 2.810695 3.776845 3.138753 1.108619 1.787953 1.792621 0.000000 1.443299 2.408997 2.582572 3.312463 2.424285 3.363416 2.656989 2.780670 0.000000 2.092702 3.336795 3.552767 4.099128 2.644816 3.627893 2.398528 3.092370 1.101204 0.000000 2.091251 2.627505 2.328486 3.560936 3.363696 4.167217 3.628026 3.798687 1.100991 1.778960 0.000000 2.137252 2.810958 3.065365 3.798106 2.800796 3.808584 3.135784 2.705615 1.108839 1.790212 1.786256 0.000000 4.339449 3.713917 4.146728 4.272997 4.564571 4.959819 5.492647 3.867792 4.503283 5.428370 4.891282 3.782627 0.000000 5.048115 4.865182 5.263783 5.618031 5.164336 5.830540 5.840505 4.306284 4.745258 5.457132 5.209393 3.732816 1.843929 0.000000 4.866940 5.086065 5.685670 5.796515 4.609638 5.352593 5.066202 3.619934 4.546608 4.985579 5.279800 3.541087 2.888619 1.607051 0.000000 5.201735 5.152206 5.285540 6.089205 5.624807 6.464438 6.161108 4.956738 4.479858 5.128240 4.706511 3.420095 2.949574 1.616149 2.487553 0.000000 6.679235 6.443488 6.810104 7.146235 6.725449 7.346798 7.374626 5.798195 6.349123 7.015934 6.774086 5.305722 3.022354 1.634486 2.559178 2.450570 0.000000 5.812450 6.241513 6.785655 7.010434 5.517038 6.359798 5.739096 4.573266 5.243641 5.453317 5.966052 4.214182 4.235793 2.651516 1.418651 2.929005 3.050624 0.000000 5.682167 5.397127 5.266209 6.347546 6.386614 7.173868 6.997748 5.875732 4.940208 5.707135 4.855997 4.029912 3.389277 2.640150 3.842381 1.416489 3.207716 4.332027 0.000000 7.431546 7.070216 7.530134 7.612740 7.328212 7.784860 8.049665 6.346533 7.330196 8.031727 7.815808 6.349100 3.429035 2.645948 3.382892 3.803533 1.417446 3.976130 4.447609 0.000000 6.030913 6.606322 7.263282 7.285106 5.487063 6.281840 5.570183 4.520463 5.570540 5.625166 6.420228 4.649908 4.905087 3.531382 2.031257 3.974991 3.938046 1.096820 5.388207 4.631972 0.000000 5.651880 6.195356 6.615823 7.064716 5.537184 6.494767 5.654470 4.740324 4.834626 4.949131 5.460748 3.805095 4.621252 3.036217 2.077772 2.718039 3.610902 1.099831 4.039890 4.755900 1.794658 0.000000 6.780562 7.082440 7.581879 7.850474 6.532883 7.335373 6.812376 5.560322 6.208333 6.479478 6.853026 5.140700 4.596650 2.854225 2.083536 3.126686 2.618933 1.100552 4.418596 3.473298 1.794919 1.793358 0.000000 6.629383 6.223256 6.105849 7.106781 7.275361 8.000211 7.941576 6.690423 5.986334 6.777559 5.913209 5.065946 3.703962 2.943661 4.318155 2.081135 2.957366 4.772015 1.101411 4.051264 5.855364 4.631897 4.615603 0.000000 6.038209 5.905329 5.662341 6.916797 6.833055 7.703239 7.320570 6.413834 5.077601 5.720046 4.862605 4.221651 4.395006 3.539116 4.487270 2.030040 4.066677 4.721725 1.096989 5.382545 5.764723 4.187982 4.826698 1.791054 0.000000 5.084130 4.605176 4.366089 5.524643 5.936889 6.637146 6.642938 5.551545 4.491466 5.392320 4.289923 3.737392 3.011391 2.909115 4.183679 2.082552 3.779756 4.937679 1.101370 4.856514 5.925616 4.695315 5.175072 1.797297 1.794246 0.000000 8.457469 8.074890 8.471289 8.638631 8.400708 8.875699 9.106976 7.423208 8.282568 8.979306 8.711027 7.273179 4.399862 3.542135 4.308186 4.424933 2.033395 4.673309 4.899506 1.097369 5.349767 5.395476 3.963950 4.292758 5.757334 5.419334 0.000000 7.204233 6.655281 7.098215 7.101340 7.159851 7.497990 7.992269 6.240889 7.268422 8.071392 7.704331 6.376420 2.968384 2.833813 3.808491 4.112620 2.087122 4.689455 4.562248 1.101816 5.335550 5.435363 4.369908 4.162662 5.597823 4.730626 1.794856 0.000000 7.508732 7.272450 7.863646 7.749381 7.192531 7.608680 7.848302 6.143107 7.484651 8.093434 8.104030 6.522947 3.826041 3.031794 3.243314 4.345880 2.084745 3.748129 5.223938 1.101909 4.162634 4.698544 3.274141 4.973473 6.123203 5.630074 1.790442 1.792274 0.000000 5.403541 4.492149 4.593823 5.011554 5.910905 6.239343 6.880797 5.369323 5.507125 6.530135 5.599379 4.857938 1.650000 2.830510 4.270241 3.475149 3.467866 5.473412 3.247827 3.759496 6.288044 5.761139 5.624002 3.219382 4.290768 2.679048 4.454880 3.063890 4.498941 0.000000 5.323880 4.319046 4.090137 4.912664 6.144164 6.509757 7.087717 5.819527 5.310840 6.379440 5.127210 4.807333 2.640238 3.687385 5.114411 3.781979 4.466431 6.235945 3.104927 4.991743 7.110631 6.298708 6.461866 3.207837 3.948197 2.201981 5.597849 4.385532 5.790748 1.395427 0.000000 6.708624 5.769840 5.913248 6.170953 7.088047 7.333873 8.072557 6.458408 6.865569 7.868642 6.991753 6.175347 2.640308 3.538939 4.987423 4.347619 3.570668 6.114750 4.105819 3.400329 6.914300 6.550839 6.048489 3.714715 5.163550 3.754992 3.869565 2.496216 4.229574 1.394825 2.416356 0.000000 6.580080 5.499367 5.120809 6.010114 7.474163 7.789783 8.422887 7.195989 6.548970 7.617331 6.225492 6.095447 3.932494 4.866955 6.380438 4.832075 5.346591 7.432109 3.877888 5.754938 8.356912 7.474543 7.538157 3.694025 4.584031 3.072625 6.159693 5.090560 6.667989 2.416260 1.394712 2.789946 0.000000 4.489744 3.548707 3.174256 4.264798 5.473887 5.911019 6.361007 5.290361 4.385346 5.457108 4.091923 3.991053 2.810421 3.783845 5.020047 3.633342 4.863863 6.107905 2.990834 5.587775 6.951348 6.023901 6.490647 3.444023 3.655401 1.915523 6.281401 5.098938 6.297983 2.165806 1.099680 3.413209 2.165375 0.000000 7.743426 6.699188 6.667727 7.075672 8.267694 8.490552 9.267076 7.722031 7.862806 8.902076 7.833007 7.223861 3.932918 4.756209 6.279796 5.287318 4.625522 7.331517 4.718298 4.446563 8.191264 7.689012 7.187853 4.142715 5.665307 4.324012 4.646336 3.594090 5.369089 2.416236 2.790080 1.395138 2.416183 3.889760 0.000000 7.068324 6.226906 6.534124 6.567755 7.232337 7.439829 8.195814 6.482526 7.286403 8.229920 7.560303 6.542334 2.811153 3.521679 4.786588 4.628913 3.283981 5.885089 4.674675 2.709607 6.588080 6.487330 5.734457 4.258671 5.759018 4.496057 3.193133 1.658306 3.419411 2.165528 3.413506 1.099761 3.889707 4.321228 2.165516 0.000000 7.688128 6.584533 6.331498 7.006195 8.436030 8.691245 9.421706 8.041482 7.726621 8.792124 7.502852 7.189854 4.440065 5.310568 6.881310 5.493483 5.414065 7.916596 4.620800 5.527095 8.837998 8.099197 7.860215 4.133347 5.410227 4.045663 5.750703 4.770486 6.489349 2.790065 2.416205 2.416183 1.395160 3.413229 1.394829 3.413055 0.000000 6.848669 5.772356 5.201420 6.294946 7.896799 8.226609 8.803639 7.748051 6.745147 7.795698 6.248737 6.407068 4.805332 5.689362 7.157819 5.420791 6.253795 8.158130 4.313166 6.774711 9.099802 8.078422 8.311820 4.227022 4.803201 3.447614 7.160712 6.160427 7.695232 3.413316 2.165330 3.889601 1.099655 2.494768 3.412938 4.989362 2.165414 0.000000 8.757716 7.713046 7.724226 8.034984 9.202837 9.384847 10.207938 8.605770 8.907856 9.935614 8.913667 8.241311 4.805541 5.518612 6.996119 6.132981 5.122739 7.992869 5.613747 4.692624 8.825542 8.429838 7.736116 4.914053 6.548216 5.332189 4.692946 3.834731 5.590086 3.412999 3.889684 2.165471 3.413128 4.989364 1.099604 2.494420 2.165365 4.320704 0.000000 8.670163 7.534404 7.200472 7.925345 9.472142 9.707866 10.458055 9.114049 8.692147 9.758977 8.390383 8.187991 5.539675 6.358974 7.943876 6.448986 6.356255 8.935476 5.466847 6.426162 9.878695 9.090969 8.828594 4.899997 6.150390 4.926071 6.523805 5.683688 7.416796 3.889675 3.412986 3.413102 2.165553 4.320860 2.165331 4.320781 1.099610 2.494427 2.494641 0.000000 3.714177 3.070016 3.740360 3.425792 3.737637 3.956838 4.739618 3.076246 4.224169 5.116260 4.749008 3.709068 1.180000 2.710651 3.219255 3.855444 3.974786 4.633941 4.407209 4.219859 5.084447 5.066170 5.168424 4.839405 5.335837 3.931074 5.260936 3.713372 4.370181 2.530084 3.364914 3.450946 4.663585 3.355171 4.726208 3.508628 5.220822 5.468617 5.563658 6.305053 0.000000 2.029201 1.070000 1.747303 1.747303 2.694460 2.976358 3.717757 2.660162 2.745877 3.749995 3.078097 2.712923 2.650180 3.910912 4.275144 4.377955 5.448735 5.527808 4.678980 6.020861 5.964994 5.595706 6.284456 5.418298 5.333109 3.929221 7.024215 5.585996 6.249084 3.518949 3.556900 4.778622 4.834573 2.947474 5.792834 5.186940 5.816053 5.278598 6.787668 6.823096 2.038419 0.000000 C12H24BNO3P(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 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-3.8304,-1.8381,-.2482;-2.7023,-2.5848,-.6236;-2.4392,-3.2557,.1673;-2.9236,-3.1452,-1.5079;-4.3643,-.9758,-1.278;-4.4855,-1.5437,-2.2125;-5.3552,-.6004,-.9775;-3.7088,-.1063,-1.4862;-3.7664,-1.2272,1.0579;-4.7543,-.8263,1.3336;-3.4883,-1.9817,1.8099;-3.029,-.4011,1.116;.1227,-.1983,-.9658;.0546,1.3765,-.009;-1.2329,2.2766,-.348;-.072,1.2486,1.5971;1.3045,2.4289,-.0514;-1.5341,3.4665,.3633;.7433,.3448,2.3216;2.0014,2.6547,-1.2649;-2.3046,3.9965,-.2098;-1.9185,3.2297,1.3662;-.6425,4.1044,.4591;1.8068,.6165,2.231;.4433,.4141,3.3745;.5989,-.6879,1.9671;2.9232,3.1949,-1.0146;2.2571,1.705,-1.7616;1.4027,3.2684,-1.9571;1.4999,-.9993,-.5366;1.4481,-2.0098,.4244;2.7156,-.6672,-1.1343;2.612,-2.687,.7874;.4896,-2.2718,.8954;3.8796,-1.3454,-.7718;2.7567,.1292,-1.8917;3.8279,-2.3551,.1891;2.5714,-3.4837,1.5444;4.8379,-1.0835,-1.2433;4.7454,-2.8895,.4752;-.6788,-.5686,-1.7486;-1.8842,-1.9226,-.8165; 0.3919217 0.2668159 0.1915712 -77.35192 -19.29403 -19.29120 -19.28860 -14.40652 -10.36208 -10.36059 -10.35324 -10.30169 -10.29969 -10.29822 -10.29808 -10.29740 -10.29535 -10.29491 -10.28497 -10.28239 -6.82380 -6.79034 -4.94444 -4.94319 -4.93881 -1.18922 -1.13231 -1.13082 -1.00151 -0.94229 -0.84598 -0.83245 -0.82985 -0.79915 -0.78762 -0.78721 -0.78183 -0.70574 -0.68787 -0.67770 -0.65866 -0.62641 -0.62071 -0.61509 -0.59398 -0.56703 -0.56110 -0.55469 -0.54502 -0.54300 -0.54145 -0.53957 -0.53762 -0.53363 -0.52908 -0.51801 -0.50033 -0.48113 -0.46786 -0.45953 -0.45799 -0.45454 -0.44686 -0.43784 -0.43689 -0.43506 -0.43223 -0.41973 -0.41474 -0.40301 -0.40035 -0.38740 -0.37657 -0.32603 -0.31514 -0.26345 -0.23110 0.05747 0.06362 0.11045 0.12645 0.13890 0.14649 0.15323 0.16478 0.16918 0.17653 0.18098 0.19409 0.19604 0.19768 0.20172 0.20439 0.20795 0.21360 0.21768 0.22136 0.22450 0.22845 0.22914 0.23515 0.23927 0.24462 0.25480 0.26114 0.27302 0.28063 0.28481 0.29791 0.31168 0.32111 0.33092 0.33996 0.35536 0.35690 0.36930 0.37753 0.38490 0.39746 0.41935 0.43469 0.43921 0.46891 0.48439 0.48675 0.49634 0.50180 0.51008 0.51883 0.52263 0.53220 0.53602 0.53961 0.54227 0.55220 0.55457 0.56514 0.56754 0.57463 0.57964 0.58478 0.60325 0.60827 0.62805 0.63193 0.65018 0.65208 0.67092 0.67860 0.68712 0.69003 0.69853 0.70911 0.71239 0.71597 0.72182 0.72732 0.72852 0.73083 0.73595 0.73803 0.74055 0.74465 0.74997 0.75033 0.75633 0.76356 0.76567 0.76986 0.77224 0.78298 0.78517 0.79511 0.80563 0.80941 0.81564 0.81876 0.82220 0.82604 0.83867 0.84451 0.84784 0.85359 0.85719 0.86980 0.87633 0.87787 0.90859 0.91420 0.92830 0.93450 0.94136 0.96287 0.97276 0.98071 1.00347 1.00935 1.03486 1.04467 1.05060 1.05879 1.07673 1.10713 1.13363 1.13862 1.15380 1.16907 1.17721 1.19325 1.19905 1.21784 1.23194 1.25821 1.26233 1.26993 1.28831 1.30292 1.31475 1.31891 1.35203 1.35347 1.35657 1.38480 1.39014 1.40924 1.41178 1.41338 1.42573 1.43925 1.44964 1.48547 1.50873 1.53371 1.55835 1.55956 1.57304 1.58836 1.59149 1.60819 1.61371 1.62173 1.63126 1.63650 1.63893 1.65460 1.65675 1.66964 1.69009 1.70834 1.74306 1.75856 1.75978 1.76945 1.77188 1.78363 1.79189 1.80551 1.81739 1.82990 1.83667 1.84158 1.84395 1.85464 1.85738 1.86001 1.87234 1.87600 1.89491 1.90437 1.90592 1.91066 1.91572 1.92788 1.93014 1.93215 1.94246 1.94438 1.95498 1.95988 1.96268 1.97343 1.97893 1.98883 1.99595 2.01324 2.01727 2.03184 2.04594 2.04757 2.06240 2.07066 2.08083 2.09122 2.09470 2.10443 2.11541 2.13417 2.13645 2.19212 2.20080 2.23827 2.24779 2.25269 2.27719 2.29264 2.29798 2.30332 2.33646 2.34834 2.39112 2.39413 2.39900 2.40179 2.40841 2.41274 2.41796 2.42457 2.43221 2.43853 2.45058 2.48029 2.49213 2.49434 2.51907 2.52577 2.53578 2.56961 2.61892 2.67396 2.69955 2.71444 2.73161 2.73667 2.73813 2.74434 2.74711 2.75264 2.77018 2.77868 2.79360 2.80522 2.81450 2.81824 2.82847 2.83648 2.84577 2.86795 2.87447 2.90845 2.92268 2.93171 2.94475 2.97450 2.98123 2.99051 2.99266 2.99859 3.01600 3.03054 3.06269 3.06925 3.07929 3.08410 3.09766 3.11086 3.14666 3.17972 3.21933 3.24992 3.25525 3.30280 3.30482 3.30628 3.30766 3.34152 3.39576 3.42932 3.46907 3.70996 -77.35179 -19.29332 -19.29076 -19.28744 -14.40643 -10.36192 -10.36062 -10.35324 -10.30166 -10.29970 -10.29819 -10.29805 -10.29735 -10.29488 -10.29445 -10.28557 -10.28221 -6.81838 -6.79024 -4.94441 -4.94220 -4.93895 -1.18721 -1.13087 -1.12841 -1.00133 -0.94174 -0.84396 -0.83184 -0.82863 -0.79866 -0.78728 -0.78636 -0.78176 -0.69782 -0.68653 -0.67690 -0.65835 -0.62231 -0.61670 -0.61165 -0.59228 -0.56555 -0.55976 -0.54986 -0.54486 -0.54243 -0.54008 -0.53920 -0.53643 -0.53277 -0.52744 -0.51400 -0.49969 -0.47867 -0.46661 -0.45930 -0.45707 -0.45251 -0.44295 -0.43768 -0.43671 -0.43343 -0.43197 -0.41877 -0.41264 -0.39953 -0.39794 -0.38434 -0.37155 -0.32553 -0.31393 -0.26007 0.00928 0.05839 0.06456 0.11195 0.12620 0.13995 0.14888 0.16307 0.16644 0.17206 0.17822 0.18184 0.19681 0.19774 0.19848 0.20182 0.20466 0.21017 0.21499 0.21883 0.22290 0.22524 0.22857 0.22962 0.23898 0.24097 0.24668 0.25536 0.26109 0.27322 0.28331 0.28591 0.29888 0.31567 0.32600 0.33129 0.34416 0.35552 0.35721 0.37256 0.37886 0.38452 0.39889 0.42107 0.43619 0.44761 0.47018 0.48439 0.49104 0.49776 0.50440 0.51261 0.52153 0.52419 0.53249 0.53658 0.54006 0.54368 0.55258 0.55481 0.56611 0.56802 0.57492 0.58037 0.58703 0.60357 0.60916 0.62914 0.63313 0.65053 0.65408 0.67319 0.68458 0.68820 0.69040 0.70020 0.70990 0.71233 0.71674 0.72194 0.72761 0.72878 0.73108 0.73656 0.73863 0.74076 0.74492 0.75055 0.75100 0.75657 0.76427 0.76587 0.77018 0.77305 0.78415 0.78532 0.79558 0.80587 0.81014 0.81616 0.81965 0.82331 0.82634 0.83860 0.84571 0.84825 0.85564 0.85806 0.87102 0.87788 0.87881 0.91007 0.91696 0.93046 0.93612 0.94124 0.96437 0.97356 0.98076 1.00471 1.01181 1.03664 1.04654 1.05198 1.05997 1.07846 1.11045 1.13519 1.14229 1.15572 1.17021 1.17960 1.19528 1.20037 1.21950 1.23477 1.26119 1.26658 1.27021 1.28944 1.30334 1.31874 1.32565 1.35301 1.35538 1.36049 1.38624 1.39391 1.40989 1.41249 1.41453 1.43182 1.44329 1.45413 1.49169 1.51407 1.54609 1.56050 1.57334 1.57980 1.58870 1.59232 1.60890 1.61382 1.62230 1.63174 1.63864 1.64040 1.65738 1.65936 1.67145 1.69154 1.71288 1.74385 1.75979 1.75987 1.76966 1.77216 1.78465 1.79221 1.80593 1.81790 1.83050 1.83700 1.84183 1.84466 1.85487 1.85797 1.86071 1.87297 1.87622 1.89517 1.90465 1.90611 1.91083 1.91591 1.92863 1.93061 1.93250 1.94320 1.94495 1.95571 1.96018 1.96289 1.97361 1.97934 1.99079 1.99737 2.01620 2.01807 2.03287 2.04651 2.04868 2.06505 2.07107 2.08119 2.09146 2.09512 2.10465 2.11585 2.13423 2.13776 2.19401 2.20134 2.23874 2.24786 2.25287 2.27767 2.29266 2.29804 2.30341 2.33658 2.34943 2.39136 2.39441 2.39937 2.40202 2.40853 2.41314 2.41817 2.42473 2.43248 2.43881 2.45066 2.48050 2.49230 2.49469 2.51948 2.52652 2.53619 2.56979 2.61951 2.67549 2.69996 2.71484 2.73188 2.73694 2.73848 2.74478 2.74725 2.75441 2.77065 2.78016 2.79561 2.80533 2.81511 2.81869 2.83013 2.83729 2.84732 2.86836 2.87512 2.90901 2.92368 2.93247 2.94550 2.97493 2.98136 2.99062 2.99293 2.99875 3.01616 3.03087 3.06317 3.06959 3.07976 3.08480 3.09844 3.11166 3.14716 3.18101 3.21989 3.25012 3.25543 3.30309 3.30554 3.30657 3.30903 3.34270 3.39654 3.43069 3.47012 3.71039 2-A. 1.6570 3.0973 1.2917 3.7426 -116.8796 -110.7760 -114.9370 -3.6500 -2.3139 -6.3378 -2.6821 3.4215 -0.7394 -3.6500 -2.3139 -6.3378 30.6595 78.4338 23.7966 0.2989 39.9238 -5.4157 -3.0728 11.7247 7.2505 -18.9874 -4514.3887 -2640.9415 -878.9624 -129.1758 -30.5808 -52.2529 -52.6146 12.8975 -6.8047 -1223.2926 -887.4172 -597.8082 -23.6057 4.0237 37.4816 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-2.5834,-1.4915,.3299;-2.7826,-1.3365,-1.0928;-3.1796,-2.2692,-1.5224;-3.516,-.5378,-1.2863;-2.1259,-.2707,.9472;-2.845,.5418,.7582;-2.0507,-.4018,2.0387;-1.1329,.0691,.5739;-1.7475,-2.6261,.6495;-1.6831,-2.7493,1.7428;-2.1865,-3.5475,.2368;-.7143,-2.5447,.2473;1.1795,-.2576,-1.3074;2.009,.6623,.0617;2.0553,2.23,-.246;1.4084,.6801,1.5659;3.5194,.1938,.4364;2.4482,3.1881,.727;1.2165,-.5209,2.2958;4.4812,-.0276,-.5872;2.6108,4.1322,.1935;1.6593,3.318,1.4809;3.3804,2.8845,1.2272;2.1846,-.9361,2.6157;.6173,-.2691,3.1793;.674,-1.2688,1.6959;5.4246,-.2787,-.087;4.1793,-.8597,-1.2415;4.6236,.8792,-1.1952;1.3069,-1.792,-1.4622;.5967,-2.4331,-2.5061;2.0488,-2.638,-.6017;.6075,-3.8141,-2.6661;.0139,-1.8202,-3.1985;2.0637,-4.0204,-.759;2.6235,-2.2049,.2229;1.3384,-4.6202,-1.79;.0391,-4.2703,-3.4805;2.6437,-4.6381,-.0686;1.3448,-5.7057,-1.9115;.4717,.4413,-1.99;-1.8475,-1.0814,-1.637; 0.000000 1.444951 0.000000 2.095627 1.100994 0.000000 2.095599 1.101493 1.779538 0.000000 1.442475 2.393499 3.347187 2.644286 0.000000 2.094325 2.637821 3.635253 2.407407 1.101376 0.000000 2.095472 3.348946 4.176516 3.636062 1.101882 1.777906 0.000000 2.144556 2.734102 3.748575 3.083510 1.113960 1.785753 1.791565 0.000000 1.445055 2.402107 2.626006 3.352021 2.404095 3.354390 2.639919 2.765396 0.000000 2.094904 3.353390 3.623764 4.174380 2.640540 3.626397 2.394463 3.100379 1.102059 0.000000 2.096055 2.647983 2.390690 3.625741 3.353514 4.174705 3.627786 3.782053 1.100995 1.777214 0.000000 2.147029 2.744718 3.047277 3.772164 2.766532 3.785190 3.096330 2.667185 1.111706 1.793609 1.781384 0.000000 4.285226 4.111987 4.805753 4.703900 4.001149 4.593758 4.653125 2.998871 4.243418 4.868993 4.953669 3.351792 0.000000 5.079453 5.318573 6.166454 5.812269 4.330317 4.905183 4.639159 3.238107 5.026906 5.300626 5.946069 4.211348 1.846266 0.000000 5.974872 6.069795 7.019766 6.307319 5.015940 5.279367 5.385682 3.937792 6.232533 6.536396 7.183750 5.541812 2.842820 1.598259 0.000000 4.709349 5.357218 6.267895 5.819609 3.711863 4.331637 3.655055 2.795588 4.661539 4.620549 5.706385 4.079685 3.031119 1.619772 2.470571 0.000000 6.332113 6.662966 7.401388 7.280057 5.687328 6.382021 5.826492 4.655936 5.978024 6.118380 6.826049 5.045696 2.952900 1.625181 2.599058 2.443058 0.000000 6.882827 7.151551 8.155653 7.314835 5.738806 5.917934 5.903224 4.751364 7.170357 7.304259 8.190824 6.564771 4.197722 2.648589 1.420901 2.841664 3.193353 0.000000 4.387058 5.304792 6.079634 5.935367 3.612926 4.471025 3.279542 2.971986 3.990889 3.698587 4.998062 3.467000 3.613011 2.649363 3.838202 1.418448 3.044862 4.211296 0.000000 7.272749 7.398062 8.036657 8.043868 6.787285 7.470470 7.049928 5.733698 6.861321 7.129899 7.584689 5.833100 3.387123 2.647467 3.331385 3.818270 1.421978 4.025056 4.383289 0.000000 7.656691 7.787838 8.800697 7.844527 6.510772 6.555638 6.759582 5.537939 8.054616 8.257917 9.055097 7.459225 4.855025 3.524128 2.029787 3.904651 4.049060 1.096513 5.292933 4.627247 0.000000 6.515921 6.929606 7.978297 7.022017 5.243247 5.340318 5.283240 4.378870 6.901433 6.932023 7.967081 6.444178 4.559599 3.031365 2.079147 2.651195 3.783038 1.098918 3.949387 4.840822 1.796037 0.000000 7.451293 7.821886 8.783829 8.098768 6.352413 6.668170 6.399662 5.359380 7.549518 7.592428 8.564037 6.870431 4.597892 2.859580 2.086736 2.977086 2.807881 1.100664 4.173874 3.603336 1.793719 1.792923 0.000000 5.316664 6.211767 6.904805 6.919592 4.669782 5.561617 4.307703 4.023024 4.709863 4.359912 5.620072 4.074347 4.106264 3.018055 4.269681 2.077654 2.794229 4.543767 1.100818 4.044587 5.633490 4.434100 4.237334 0.000000 4.456204 5.563221 6.365815 6.090810 3.536597 4.302019 2.904691 3.156809 4.188933 3.675182 5.221846 3.943088 4.521767 3.538817 4.477235 2.032140 4.019849 4.617141 1.096784 5.401306 5.679811 4.103374 4.624986 1.794057 0.000000 3.539275 4.441815 5.119525 5.194634 3.065350 4.067109 2.879850 2.512696 2.966625 2.783955 3.937581 2.377792 3.209039 2.860366 4.233228 2.086686 3.438226 4.893881 1.101567 4.609516 5.931161 4.696351 4.979336 1.799562 1.789653 0.000000 8.110083 8.335998 8.947396 9.024411 7.621041 8.353149 7.772703 6.599900 7.582304 7.744166 8.289727 6.552283 4.417102 3.546069 4.203746 4.447704 2.031601 4.641235 4.841964 1.096979 5.239499 5.438110 3.988993 4.270237 5.811951 5.169831 0.000000 6.971605 6.979803 7.498001 7.702167 6.700245 7.436707 7.055708 5.690157 6.467061 6.844341 7.066401 5.385448 3.060353 2.953897 3.879279 4.234500 2.088301 4.822513 4.626612 1.100733 5.425698 5.587099 4.555401 4.343170 5.707872 4.591607 1.794753 0.000000 7.738681 7.731195 8.420820 8.262493 7.174092 7.727202 7.526307 6.076407 7.502019 7.846811 8.247700 6.503594 3.628568 2.909139 3.053120 4.242749 2.085948 3.709169 5.074969 1.101010 4.069526 4.679330 3.381454 4.875147 6.041880 5.345200 1.791819 1.795391 0.000000 4.293802 4.131324 4.512244 4.986405 4.461389 5.255051 5.046076 3.682695 3.805820 4.486512 4.262939 2.752115 1.547512 2.973088 4.268041 3.910451 3.527556 5.558506 3.968223 3.735641 6.287927 5.907559 5.779476 4.258246 4.933389 3.263162 4.597496 3.028002 4.267015 0.000000 4.363802 3.823522 3.905754 4.689784 4.900402 5.599207 5.638283 4.328871 3.935761 4.832245 4.063473 3.051604 2.551419 4.262665 5.383375 5.189682 4.909359 6.743841 5.205700 4.955637 7.378903 7.078260 7.068520 5.567388 6.083340 4.361056 5.814008 4.112226 5.376477 1.416029 0.000000 4.862042 5.027628 5.321668 5.987156 5.042910 5.992455 5.364506 4.339713 3.997129 4.408627 4.412278 2.892035 2.630591 3.366546 4.880952 4.014754 3.355503 5.988986 3.683727 3.568034 6.839814 6.321618 5.967872 3.642299 4.685711 3.007237 4.150557 2.847958 4.399160 1.416539 2.403658 0.000000 4.955100 4.484047 4.247039 5.444399 5.751835 6.528398 6.391046 5.348478 4.236858 5.081289 4.037948 3.441888 3.849966 5.426195 6.669658 6.224921 5.845358 7.995751 5.986378 5.802123 8.679519 8.316953 8.229086 6.218348 6.836349 5.050797 6.508061 4.849295 6.349786 2.455038 1.390248 2.778937 0.000000 4.393661 3.533893 3.634516 4.214402 4.915972 5.422910 5.805421 4.372169 4.308075 5.306591 4.430299 3.595691 2.716012 4.557662 5.411903 5.558423 5.436673 6.813078 5.772535 5.476206 7.326683 7.141834 7.283822 6.268884 6.591378 4.969451 6.429104 4.701395 5.705201 2.165031 1.093064 3.399014 2.147482 0.000000 5.401511 5.549845 5.580476 6.598418 5.875697 6.871009 6.152191 5.358962 4.295653 4.681126 4.390818 3.302600 3.904036 4.754425 6.271432 5.284831 4.616051 7.370113 4.721826 4.670811 8.226253 7.683318 7.304538 4.573409 5.627936 3.940684 5.074210 3.833923 5.545271 2.456206 2.779228 1.391441 2.408351 3.872229 0.000000 5.256626 5.631213 6.060223 6.538339 5.179050 6.142943 5.328866 4.405067 4.411854 4.599279 4.993882 3.355081 2.866876 2.936805 4.495701 3.406444 2.569510 5.419393 3.018695 2.974586 6.337196 5.745922 5.242515 2.743791 4.063537 2.616605 3.413606 2.524821 3.939973 2.177936 3.406958 1.094357 3.872936 4.320167 2.138523 0.000000 5.446451 5.315212 5.100163 6.362796 6.197763 7.116250 6.628755 5.803891 4.410288 5.011073 4.205240 3.559768 4.392132 5.637707 7.058565 6.273808 5.734856 8.278681 5.789035 5.693477 9.064083 8.591726 8.342283 5.805093 6.644224 4.881112 6.200436 4.744778 6.433504 2.847280 2.417920 2.417859 1.396998 3.402738 1.395988 3.396541 0.000000 5.396142 4.719071 4.265930 5.602151 6.347302 7.031384 7.056467 6.053255 4.790846 5.706324 4.392519 4.176316 4.703691 6.384226 7.535303 7.200540 6.883540 8.895728 6.986404 6.789975 9.524353 9.209956 9.193337 7.272131 7.790778 6.017269 7.513470 5.812639 7.263465 3.438376 2.152991 3.871838 1.092917 2.466399 3.401221 4.965851 2.160706 0.000000 6.114136 6.433821 6.452641 7.499141 6.546396 7.592183 6.665192 6.069027 4.883270 5.056710 4.961229 3.969652 4.782000 5.339885 6.895536 5.699219 4.936538 7.868963 4.957658 4.990185 8.774246 8.165175 7.668839 4.595780 5.808855 4.283166 5.170849 4.243827 5.969086 3.439382 3.872178 2.153740 3.401782 4.965195 1.092972 2.450631 2.160399 4.308211 0.000000 6.181708 6.065854 5.694787 7.122115 7.053821 7.981991 7.433981 6.757493 5.060072 5.591223 4.662898 4.346438 5.483977 6.699701 8.139629 7.271484 6.711608 9.342275 6.678256 6.620518 10.139872 9.645437 9.369408 6.629436 7.483361 5.757524 7.030313 5.653934 7.390856 3.939513 3.409217 3.409104 2.165885 4.304064 2.164524 4.294822 1.092250 2.495440 2.494616 0.000000 4.295572 3.815264 4.571444 4.166019 3.985218 4.308559 4.827433 3.047482 4.615283 5.362573 5.285459 3.915152 1.206377 2.573253 2.957855 3.685000 3.903462 4.339753 4.455223 4.273580 4.792311 4.661928 4.977962 5.103326 5.219917 4.068342 5.354543 3.999888 4.249877 2.442095 2.923063 3.727802 4.310909 2.604658 4.894546 4.065639 5.139066 4.960587 5.848895 6.209147 0.000000 2.139796 1.111583 1.788483 1.789467 2.722671 3.060502 3.743516 2.592805 2.761249 3.772553 3.115819 2.641277 3.154413 4.560565 5.303991 4.895170 5.893130 6.501537 5.016954 6.501174 7.099932 6.432289 7.159832 5.862152 5.471023 4.183532 7.478710 6.043888 6.776025 3.238216 2.925181 4.321605 3.815006 2.539504 4.970559 4.971068 4.764161 4.138441 5.939832 5.625856 2.796799 0.000000 C12H24BNO3P(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 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:2.4267,-2.7364,.1245;2.8058,-2.4012,-1.2289;3.8671,-2.11,-1.2627;2.6758,-3.2764,-1.885;1.0593,-3.1885,.2058;.9092,-4.0606,-.4499;.8232,-3.5014,1.2356;.318,-2.4134,-.095;2.7199,-1.6738,1.0588;2.4836,-1.9996,2.0847;3.7926,-1.4278,1.0274;2.1606,-.735,.8546;-.2816,.3144,-1.1872;-1.8379,-.0019,-.2456;-2.9822,-.5734,-1.204;-1.9029,-1.0825,.9593;-2.4639,1.2619,.5619;-4.206,-1.0955,-.7053;-1.0671,-.9645,2.0993;-2.5832,2.5321,-.0661;-4.8807,-1.1948,-1.5639;-4.0456,-2.0792,-.2424;-4.6534,-.4155,.0356;-1.4018,-.1326,2.7379;-1.1458,-1.9064,2.6556;-.0166,-.8068,1.8078;-3.0773,3.1965,.6535;-1.5945,2.9409,-.3247;-3.1976,2.4636,-.9771;.8595,1.1915,-.6185;2.0455,1.3431,-1.3772;.842,1.8305,.6456;3.1388,2.0585,-.9021;2.1031,.8717,-2.3617;1.9333,2.5487,1.1244;-.0467,1.7558,1.2798;3.093,2.6641,.356;4.0388,2.1449,-1.5161;1.8815,3.021,2.1087;3.9525,3.223,.7328;-.2192,-.2998,-2.2237;2.2091,-1.5645,-1.6526; 0.4335595 0.2833247 0.2093559 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= 393 393 393 393 393 MxSgAt= 42 MxSgA2= 42. 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= 393 393 393 393 393 MxSgAt= 42 MxSgA2= 42. 1 0.7531 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 N C H H C H H H C H H H B P O O O C C C H H H H H H H H H C C C C H C H C H H H H H 14 13 1 1 13 1 1 1 13 1 1 1 11 31 17 17 17 13 13 13 1 1 1 1 1 1 1 1 1 13 13 13 13 1 13 1 13 1 1 1 1 1 0.00262 0.00639 -0.00012 0.00030 -0.00026 0.00004 0.00004 0.00017 0.00024 0.00022 0.00001 0.00049 0.07803 -0.06698 0.00333 0.05420 0.02263 -0.00138 0.00034 0.01393 -0.00003 0.00050 0.00035 -0.00003 0.00003 0.00005 0.00018 0.00012 0.00000 -0.03313 0.03588 0.03678 0.00400 0.00004 0.00480 0.00018 0.00073 0.00007 0.00011 -0.00006 -0.01001 0.00044 0.84805 7.17810 -0.55425 1.35169 -0.29789 0.16255 0.19598 0.77718 0.26570 0.96183 0.03411 2.17081 111.91862 -121.31209 -2.01858 -32.85624 -13.72056 -1.54801 0.37974 15.66241 -0.13230 2.22774 1.56475 -0.13598 0.14167 0.21144 0.80751 0.55642 0.01381 -37.24991 40.33695 41.34616 4.49458 0.15837 5.39292 0.78580 0.82047 0.32915 0.48605 -0.27903 -44.75295 1.98831 0.30260 2.56132 -0.19777 0.48232 -0.10630 0.05800 0.06993 0.27732 0.09481 0.34320 0.01217 0.77460 39.93535 -43.28717 -0.72028 -11.72392 -4.89584 -0.55237 0.13550 5.58874 -0.04721 0.79491 0.55834 -0.04852 0.05055 0.07545 0.28814 0.19855 0.00493 -13.29169 14.39323 14.75334 1.60378 0.05651 1.92433 0.28039 0.29276 0.11745 0.17344 -0.09957 -15.96896 0.70948 0.28288 2.39436 -0.18488 0.45087 -0.09937 0.05422 0.06537 0.25924 0.08863 0.32083 0.01138 0.72411 37.33203 -40.46536 -0.67333 -10.95966 -4.57669 -0.51636 0.12667 5.22442 -0.04413 0.74309 0.52194 -0.04536 0.04726 0.07053 0.26936 0.18560 0.00461 -12.42523 13.45496 13.79160 1.49923 0.05283 1.79889 0.26211 0.27368 0.10979 0.16213 -0.09308 -14.92798 0.66323 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 0.007318 0.008486 -0.000296 0.000106 0.002227 0.001381 0.001640 0.003845 0.003006 0.001563 0.000757 0.004190 -0.043186 -0.017503 -0.006581 -0.079237 -0.011979 -0.000864 -0.003533 -0.002417 -0.000198 -0.000548 -0.001691 0.000272 -0.002286 -0.004354 0.001390 0.004716 -0.002288 0.000912 -0.003486 0.019102 0.004296 -0.002727 0.006929 0.008531 -0.000632 0.000001 0.002228 0.000901 0.000161 0.004812 -0.000353 0.000575 0.001787 0.000569 -0.000921 -0.000794 -0.000780 -0.002030 -0.000648 -0.000878 -0.000572 -0.002639 -0.085713 -0.050960 -0.007829 0.023476 0.015814 0.002290 -0.002102 0.007444 0.001754 0.001153 0.003058 -0.002544 -0.001792 -0.003901 0.000742 0.001200 0.004497 0.000779 0.011495 -0.009710 -0.001521 0.004197 -0.002708 -0.003884 0.001014 0.000524 -0.001024 -0.000109 -0.019296 0.003732 -0.006965 -0.009061 -0.001490 -0.000675 -0.001306 -0.000587 -0.000860 -0.001815 -0.002358 -0.000685 -0.000185 -0.001552 0.128899 0.068463 0.014410 0.055761 -0.003835 -0.001426 0.005635 -0.005028 -0.001556 -0.000605 -0.001367 0.002272 0.004078 0.008256 -0.002132 -0.005916 -0.002209 -0.001691 -0.008009 -0.009392 -0.002774 -0.001470 -0.004221 -0.004646 -0.000382 -0.000525 -0.001205 -0.000792 0.019136 -0.008544 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 0.009893 0.013207 0.002676 0.002491 0.000879 0.000796 0.000180 0.000279 0.003555 0.000280 0.001256 0.001630 0.122828 0.099630 0.029195 0.030435 0.062967 -0.002243 0.000125 0.006642 -0.002126 -0.002033 -0.001037 0.000293 -0.000139 -0.001485 0.003445 0.008348 0.002670 0.003114 -0.012944 -0.001504 -0.004348 -0.001978 -0.004414 -0.000317 -0.000746 -0.001395 -0.000949 -0.001156 0.025245 0.013274 -0.001970 -0.001607 -0.000444 0.000720 0.000631 0.000970 0.000242 0.001547 -0.000994 -0.001082 -0.001470 -0.003939 -0.221645 -0.123637 -0.048815 0.036686 0.048760 -0.000592 0.004028 -0.001043 -0.000409 -0.001225 -0.000385 0.003694 0.000991 0.004751 -0.000500 -0.004180 -0.000861 -0.009438 0.005057 0.005683 0.002636 0.000796 0.001460 -0.004787 0.001707 0.000828 -0.000182 0.000594 0.015526 0.001273 -0.001386 -0.001135 -0.001591 0.001379 -0.000246 0.000229 -0.000033 -0.000104 0.000238 -0.000034 -0.000962 -0.000429 -0.174996 -0.150060 -0.037930 0.122356 0.066810 0.001402 0.000835 0.002760 0.000382 0.001899 0.001545 0.000736 -0.000026 -0.003145 0.000142 -0.000505 -0.003014 -0.008843 -0.004886 0.002254 -0.004879 -0.007808 -0.003601 -0.001775 0.002800 -0.001270 -0.000162 -0.000253 0.006137 0.001511 -0.0506 0.2662 0.9626 -0.5704 0.7834 -0.2467 0.8198 0.5616 -0.1122 -0.0072 -0.0071 0.0144 -0.279 -0.275 0.554 -0.1 -0.098 0.198 -0.093 -0.092 0.185 1 N 14 -0.5438 0.6703 -0.505 -0.253 0.4429 0.8602 0.8002 0.5955 -0.0713 -0.0093 -0.0092 0.0185 -1.246 -1.231 2.477 -0.445 -0.439 0.884 -0.416 -0.411 0.826 2 C 13 -0.5483 0.5645 0.6171 0.6522 -0.1733 0.738 0.5235 0.8071 -0.2732 -0.0026 -0.0015 0.0041 -1.361 -0.806 2.167 -0.486 -0.287 0.773 -0.454 -0.269 0.723 3 H 1 -0.6352 0.7044 -0.3169 -0.4703 -0.0272 0.8821 0.6127 0.7093 0.3485 -0.0023 -0.0011 0.0034 -1.226 -0.587 1.813 -0.437 -0.21 0.647 -0.409 -0.196 0.605 4 H 1 -0.2527 0.5517 0.7949 -0.1075 0.8005 -0.5897 0.9616 0.2344 0.143 -0.0017 -9.0E-4 0.0025 -0.225 -0.115 0.34 -0.08 -0.041 0.121 -0.075 -0.038 0.113 5 C 13 -0.4315 0.768 0.4732 -0.1406 -0.5754 0.8057 0.8911 0.2812 0.3563 -0.0011 -9.0E-4 0.002 -0.587 -0.491 1.078 -0.209 -0.175 0.384 -0.196 -0.164 0.359 6 H 1 -0.1148 0.4009 0.9089 -0.0276 0.9133 -0.4064 0.993 0.0717 0.0938 -9.0E-4 -8.0E-4 0.0017 -0.483 -0.411 0.894 -0.172 -0.147 0.319 -0.161 -0.137 0.298 7 H 1 -0.2298 0.5233 0.8206 0.0969 0.8513 -0.5157 0.9684 0.039 0.2463 -0.0023 -0.0019 0.0042 -1.235 -1.032 2.267 -0.441 -0.368 0.809 -0.412 -0.344 0.756 8 H 1 -0.4577 0.6515 -0.605 -0.247 0.5605 0.7904 0.8541 0.5113 -0.0957 -0.0034 -0.0019 0.0052 -0.452 -0.252 0.704 -0.161 -0.09 0.251 -0.151 -0.084 0.235 9 C 13 0.3811 -0.2908 0.8776 0.0255 0.9522 0.3044 0.9242 0.0936 -0.3703 -0.0011 -9.0E-4 0.002 -0.61 -0.47 1.08 -0.218 -0.168 0.385 -0.204 -0.157 0.36 10 H 1 -0.1722 0.8579 0.4841 0.671 -0.2576 0.6952 0.7211 0.4446 -0.5313 -0.0014 -0.0012 0.0026 -0.729 -0.666 1.395 -0.26 -0.237 0.498 -0.243 -0.222 0.465 11 H 1 0.4733 -0.4056 0.782 0.0396 0.8966 0.4411 0.88 0.1778 -0.4404 -0.0037 -0.0028 0.0065 -1.981 -1.482 3.463 -0.707 -0.529 1.236 -0.661 -0.494 1.155 12 H 1 0.8547 -0.1805 0.4868 -0.0683 0.8904 0.4501 -0.5147 -0.418 0.7486 -0.1954 -0.1836 0.379 -33.45 -31.436 64.886 -11.936 -11.217 23.153 -11.158 -10.486 21.644 13 B 11 -0.2075 0.8618 0.4628 0.8436 -0.0819 0.5307 -0.4952 -0.5006 0.7101 -0.1555 -0.1049 0.2605 -33.624 -22.687 56.311 -11.998 -8.095 20.093 -11.216 -7.567 18.783 14 P 31 0.7534 0.073 0.6535 -0.3629 0.8749 0.3206 -0.5484 -0.4787 0.6856 -0.0461 -0.0338 0.0799 3.336 2.449 -5.784 1.19 0.874 -2.064 1.113 0.817 -1.929 15 O 17 0.9497 0.0743 -0.3043 -0.2519 0.7589 -0.6006 0.1863 0.647 0.7394 -0.0886 -0.0835 0.1721 6.412 6.039 -12.451 2.288 2.155 -4.443 2.139 2.014 -4.153 16 O 17 -0.5235 0.7493 -0.4056 -0.6801 -0.0807 0.7287 0.5133 0.6573 0.5519 -0.0643 -0.0567 0.1211 4.655 4.106 -8.761 1.661 1.465 -3.126 1.553 1.37 -2.923 17 O 17 0.7365 0.517 -0.4362 0.5153 -0.0111 0.857 -0.4382 0.8559 0.2746 -0.0021 -0.0018 0.0039 -0.28 -0.242 0.522 -0.1 -0.086 0.186 -0.093 -0.081 0.174 18 C 13 0.9325 0.0612 -0.3559 -0.0884 0.9942 -0.0608 0.3501 0.0882 0.9325 -0.0051 -0.0022 0.0072 -0.679 -0.29 0.97 -0.242 -0.104 0.346 -0.227 -0.097 0.323 19 C 13 0.6339 -0.3991 0.6625 -0.642 0.2062 0.7385 0.4313 0.8934 0.1255 -0.0077 -0.0034 0.011 -1.032 -0.45 1.481 -0.368 -0.16 0.529 -0.344 -0.15 0.494 20 C 13 0.5785 0.2685 0.7703 -0.6122 -0.4811 0.6275 -0.539 0.8345 0.1139 -0.0017 -0.0014 0.0032 -0.923 -0.773 1.696 -0.329 -0.276 0.605 -0.308 -0.258 0.566 21 H 1 0.7473 0.629 -0.2141 0.4507 -0.2432 0.8589 -0.4882 0.7383 0.4653 -0.0019 -0.0018 0.0037 -1.018 -0.953 1.971 -0.363 -0.34 0.703 -0.34 -0.318 0.658 22 H 1 0.8442 0.0095 0.5359 -0.4979 -0.3563 0.7907 -0.1984 0.9343 0.2961 -0.0019 -0.0018 0.0038 -1.039 -0.972 2.01 -0.371 -0.347 0.717 -0.346 -0.324 0.671 23 H 1 0.4733 0.7549 -0.454 -0.6425 0.6484 0.4084 0.6026 0.0984 0.7919 -0.0028 -0.0024 0.0052 -1.496 -1.265 2.761 -0.534 -0.451 0.985 -0.499 -0.422 0.921 24 H 1 0.9697 0.1957 -0.1461 -0.1923 0.9806 0.037 0.1505 -0.0078 0.9886 -0.0025 -0.0018 0.0042 -1.314 -0.942 2.256 -0.469 -0.336 0.805 -0.438 -0.314 0.753 25 H 1 0.9282 0.2783 -0.2469 -0.1993 0.9323 0.3017 0.3141 -0.2309 0.9209 -0.0061 -0.0046 0.0107 -3.235 -2.455 5.69 -1.154 -0.876 2.03 -1.079 -0.819 1.898 26 H 1 0.5538 -0.5745 0.6027 -0.3805 0.4692 0.7969 0.7406 0.6707 -0.0412 -0.0027 -0.0018 0.0045 -1.455 -0.966 2.421 -0.519 -0.345 0.864 -0.485 -0.322 0.808 27 H 1 0.4987 -0.3947 0.7716 -0.3845 0.6971 0.6051 0.7768 0.5985 -0.1959 -0.0084 -0.0038 0.0122 -4.46 -2.05 6.51 -1.591 -0.732 2.323 -1.488 -0.684 2.172 28 H 1 -0.4565 0.4458 0.77 0.8367 -0.0791 0.5418 0.3025 0.8916 -0.3369 -0.0034 -0.0031 0.0065 -1.837 -1.653 3.49 -0.656 -0.59 1.245 -0.613 -0.551 1.164 29 H 1 0.4636 0.4225 0.7788 -0.6834 0.73 0.0108 -0.564 -0.5372 0.6271 -0.0121 -0.0023 0.0144 -1.624 -0.304 1.929 -0.58 -0.108 0.688 -0.542 -0.101 0.643 30 C 13 0.7689 0.3028 -0.5631 0.4005 0.4582 0.7935 -0.4983 0.8356 -0.2311 -0.0123 -0.0083 0.0206 -1.649 -1.111 2.76 -0.588 -0.396 0.985 -0.55 -0.371 0.921 31 C 13 -0.1633 -0.653 0.7395 -0.0951 0.7565 0.647 0.982 -0.0353 0.1857 -0.0126 -0.0076 0.0202 -1.696 -1.019 2.715 -0.605 -0.364 0.969 -0.566 -0.34 0.906 32 C 13 0.0994 0.6941 0.713 0.643 0.502 -0.5784 0.7594 -0.516 0.3964 -0.0072 -0.0015 0.0086 -0.96 -0.197 1.158 -0.343 -0.07 0.413 -0.32 -0.066 0.386 33 C 13 0.1195 0.582 0.8044 0.9797 0.0624 -0.1906 -0.1611 0.8108 -0.5627 -0.007 -0.003 0.01 -3.736 -1.605 5.34 -1.333 -0.573 1.906 -1.246 -0.535 1.781 34 H 1 0.1378 0.6836 0.7168 -0.4211 -0.6146 0.667 0.8965 -0.3938 0.2032 -0.0074 -0.0018 0.0092 -0.99 -0.245 1.234 -0.353 -0.087 0.44 -0.33 -0.082 0.412 35 C 13 0.265 0.4776 0.8376 -0.1635 0.8784 -0.4491 0.9503 0.0179 -0.3108 -0.0072 -0.0029 0.0101 -3.827 -1.557 5.384 -1.366 -0.555 1.921 -1.277 -0.519 1.796 36 H 1 -0.5158 -0.4996 0.696 0.8457 -0.4269 0.3203 0.1371 0.7537 0.6427 -0.0037 4.0E-4 0.0033 -0.491 0.052 0.438 -0.175 0.019 0.156 -0.164 0.018 0.146 37 C 13 0.1929 0.6359 0.7473 0.8109 0.3254 -0.4863 -0.5524 0.6998 -0.4529 -0.0014 -0.0011 0.0024 -0.743 -0.563 1.306 -0.265 -0.201 0.466 -0.248 -0.188 0.436 38 H 1 0.2209 0.733 0.6433 -0.14 -0.6289 0.7647 0.9652 -0.259 -0.0363 -0.0015 -0.001 0.0025 -0.774 -0.554 1.329 -0.276 -0.198 0.474 -0.258 -0.185 0.443 39 H 1 -0.4711 -0.374 0.7989 0.3292 0.7657 0.5526 0.8184 -0.5233 0.2376 -0.001 -8.0E-4 0.0018 -0.546 -0.421 0.967 -0.195 -0.15 0.345 -0.182 -0.14 0.323 40 H 1 -0.5822 0.8098 0.0726 -0.5622 -0.4655 0.6835 0.5873 0.3571 0.7263 -0.0369 0.0022 0.0347 -19.685 1.166 18.519 -7.024 0.416 6.608 -6.566 0.389 6.177 41 H 1 6.51929186e-01 1.21855434e+00 5.08196264e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 7 6 1 1 6 1 1 1 6 1 1 1 5 15 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 6 6 6 6 1 6 1 6 1 1 1 1 1 -0.026544793 0.024216195 0.024051977 0.002245590 0.005250839 0.005309869 -0.004790471 -0.021636456 0.004035917 -0.007741584 0.000119812 -0.021306848 0.000320913 -0.008230163 0.003328836 -0.000060328 0.000612083 -0.000524776 0.000706187 0.000792317 -0.000115445 0.002935491 0.002735398 -0.000572805 -0.000887111 0.001333795 -0.007794230 0.000708989 0.000180856 0.000719503 0.000074231 -0.000350761 0.000508719 0.004253431 0.000038971 0.001844326 0.024150227 -0.028080840 0.005490352 -0.008369879 0.014330909 0.003360436 -0.000652499 -0.001615092 -0.002044227 0.002015741 0.001863532 -0.000691913 -0.004428708 -0.006802559 -0.004697473 -0.000454867 -0.000555884 0.000145575 -0.001381177 -0.002529151 0.005330709 0.001439113 0.003628816 -0.000079299 -0.000008153 -0.000063931 -0.000081167 0.000091649 -0.000021361 -0.000039548 0.000058730 0.000155035 0.000109238 -0.000456730 -0.000634839 -0.000902352 0.000500096 0.000525515 0.000664529 0.004056628 0.002410591 0.007985244 -0.000117089 -0.000422528 0.000004335 0.003365889 0.005779454 0.004846643 -0.000089059 0.000055395 0.000514971 -0.016341322 0.038143620 0.000960077 -0.000408552 -0.011114441 -0.007796887 0.003159374 -0.008458928 -0.002539209 -0.004733208 -0.004153277 0.002116095 0.002741201 -0.001081529 -0.005092027 0.005894616 -0.001649993 -0.002737339 -0.005328678 -0.009370247 -0.002378762 0.003152693 -0.004815914 -0.001008175 0.002517744 0.003177412 -0.001651384 -0.003874149 0.000022485 0.002009107 -0.001622305 0.004428516 0.000834206 -0.003621138 0.008685767 -0.003477323 0.027523263 -0.006899417 -0.008639477 0.038143620 0.008190775 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7530 0.7530 0.7531 0.7530 0.7530 0.7543 0.7669 0.7648 0.7685 0.7695 0.7702 0.7699 0.7698 0.7697 0.7691 0.7681 0.7695 0.7693 0.7680 0.7734 0.7694 0.7695 0.7695 0.7697 0.7701 0.7700 0.7696 0.7696 0.7695 0.7694 0.7695 0.7694 0.7693 0.7693 0.7693 0.7693 0.7693 0.7694 0.7694 0.7694 0.7694 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 0.7695 open 1 1 1 -1117.42198006283 -1117.42199289689 -0.000012834061 -1117.42199364205 -0.000000745162 -1117.42199365946 -0.000000017408 -1117.42199366679 -0.000000007332 -1117.42199366723 -0.000000000431 -1117.42199366732 -0.000000000098 -1117.42199366735 -0.000000000025 -1117.42199366735 0.000000000000 -1117.42199366735 -0.000000000000 -1117.42199367 10 0.7695 1.108064236060e+03 -5.769727800736e+03 1.966867363623e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572543444 LenY= 1572387767 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. 0.7695 (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 40 41 42 N C H H C H H H C H H H B P O O O C C C H H H H H H H H H C C C C H C H C H H H H H 14 13 1 1 13 1 1 1 13 1 1 1 11 31 17 17 17 13 13 13 1 1 1 1 1 1 1 1 1 13 13 13 13 1 13 1 13 1 1 1 1 1 0.00235 0.00016 0.00011 0.00002 0.00591 0.00005 0.00006 0.00019 -0.00042 0.00001 0.00007 0.00020 0.06309 -0.05270 0.02645 0.05773 0.00626 0.00265 -0.00026 0.00893 -0.00008 0.00041 0.00016 -0.00001 0.00005 0.00011 0.00037 0.00035 0.00015 -0.05066 0.02754 0.02802 -0.02191 -0.00217 -0.02192 -0.00211 0.02819 0.00101 0.00103 -0.00226 -0.00816 0.00017 0.76023 0.18093 0.49767 0.06832 6.64882 0.24316 0.28110 0.86766 -0.47389 0.03109 0.33447 0.90807 90.49200 -95.45149 -16.03348 -34.99439 -3.79727 2.97449 -0.28682 10.04351 -0.36937 1.83794 0.71092 -0.04976 0.20935 0.49475 1.65374 1.56668 0.64821 -56.95060 30.95524 31.50386 -24.62574 -9.69445 -24.63819 -9.41131 31.69109 4.49675 4.58729 -10.09071 -36.47839 0.75910 0.27127 0.06456 0.17758 0.02438 2.37246 0.08677 0.10030 0.30960 -0.16910 0.01109 0.11935 0.32402 32.28979 -34.05947 -5.72114 -12.48687 -1.35496 1.06137 -0.10234 3.58378 -0.13180 0.65582 0.25368 -0.01776 0.07470 0.17654 0.59010 0.55903 0.23130 -20.32139 11.04560 11.24136 -8.78708 -3.45922 -8.79152 -3.35819 11.30817 1.60455 1.63686 -3.60062 -13.01640 0.27086 0.25359 0.06035 0.16600 0.02279 2.21781 0.08111 0.09377 0.28942 -0.15807 0.01037 0.11157 0.30290 30.18488 -31.83919 -5.34819 -11.67287 -1.26663 0.99218 -0.09567 3.35016 -0.12321 0.61307 0.23714 -0.01660 0.06983 0.16503 0.55163 0.52259 0.21622 -18.99668 10.32556 10.50856 -8.21426 -3.23372 -8.21842 -3.13928 10.57101 1.49995 1.53016 -3.36590 -12.16788 0.25321 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 0.001657 0.001049 0.001284 0.000143 0.000722 -0.001393 -0.001341 -0.003745 0.000857 0.000067 0.000971 0.002114 -0.071350 -0.064239 -0.029583 0.032962 -0.032381 0.004941 -0.001308 0.000681 0.002386 0.001613 0.003013 -0.001782 -0.001518 -0.003210 -0.000059 -0.002190 0.002593 0.027364 -0.042517 -0.046214 0.022281 -0.004000 0.026832 0.002533 -0.047039 -0.000085 0.003775 0.004570 -0.022869 0.002875 0.001962 0.000841 -0.000051 0.000786 0.005939 0.002740 0.001113 0.009576 -0.000166 -0.000235 -0.000270 -0.001355 0.131816 0.084444 0.064856 -0.057662 -0.031066 -0.002056 -0.003435 0.001252 -0.000984 -0.000043 -0.001643 -0.002016 -0.000669 -0.003233 0.001068 0.005688 0.000509 -0.048019 0.078382 0.084097 -0.039856 -0.001918 -0.041477 -0.003596 0.088958 -0.000291 -0.001273 0.002431 0.001415 0.000421 -0.003618 -0.001890 -0.001233 -0.000930 -0.006661 -0.001347 0.000228 -0.005831 -0.000691 0.000167 -0.000701 -0.000759 -0.060466 -0.020205 -0.035272 0.024700 0.063447 -0.002885 0.004743 -0.001933 -0.001402 -0.001570 -0.001370 0.003798 0.002188 0.006443 -0.001010 -0.003497 -0.003102 0.020655 -0.035865 -0.037883 0.017575 0.005918 0.014645 0.001062 -0.041920 0.000375 -0.002501 -0.007001 0.021454 -0.003296 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 -0.006316 -0.003083 -0.001313 -0.001500 -0.011271 -0.001173 -0.001173 -0.006843 -0.001392 -0.000875 -0.000889 -0.001317 -0.164132 -0.128100 -0.006403 0.055249 -0.005908 0.003723 0.000673 -0.004775 0.001453 0.002266 0.000690 0.000378 0.000202 0.000032 -0.002260 -0.003037 -0.005162 0.048352 -0.066714 -0.064086 0.035555 -0.001561 0.036238 -0.000622 -0.070190 0.002307 0.002859 0.006206 -0.014279 -0.003967 0.002484 0.000270 -0.000285 -0.000516 0.004249 0.000342 0.000233 0.002034 0.001583 0.001330 0.001082 0.003297 0.089771 0.098593 0.000124 -0.109518 -0.033207 -0.001368 -0.000554 -0.003553 0.000784 -0.000373 -0.001355 -0.000979 -0.000117 0.002064 -0.001352 -0.001293 -0.000042 -0.025331 0.035542 0.033944 -0.013675 -0.002533 -0.015988 -0.005603 0.039067 0.002389 0.000090 0.008054 -0.001307 -0.001938 -0.002533 -0.000608 0.000097 0.000640 -0.005457 0.000331 -0.002028 -0.005597 -0.000815 -0.001005 -0.000480 -0.001085 -0.175030 -0.127924 -0.015735 -0.054946 0.019911 -0.000606 -0.002597 0.003530 0.000157 -0.000585 -0.000243 0.000033 -0.002486 -0.003309 0.001543 0.004058 0.000303 0.051670 -0.078027 -0.077217 0.040060 0.003611 0.038974 0.000572 -0.083139 0.002469 0.000156 0.000262 0.011912 0.001130 -0.2419 0.1378 0.9605 0.699 0.7113 0.074 -0.673 0.6892 -0.2684 -0.0046 -0.0045 0.0091 -0.178 -0.174 0.352 -0.063 -0.062 0.125 -0.059 -0.058 0.117 1 N 14 0.5318 0.6294 0.5667 -0.4581 -0.349 0.8175 0.7123 -0.6943 0.1027 -0.0023 -0.0018 0.0041 -0.31 -0.239 0.549 -0.111 -0.085 0.196 -0.103 -0.08 0.183 2 C 13 0.1566 0.0907 0.9835 0.5028 0.8498 -0.1585 0.8501 -0.5193 -0.0875 -0.0013 -8.0E-4 0.0021 -0.677 -0.451 1.129 -0.242 -0.161 0.403 -0.226 -0.151 0.376 3 H 1 0.1496 -0.2044 0.9674 0.7796 0.6262 0.0117 -0.6082 0.7524 0.253 -0.0011 -0.0011 0.0022 -0.611 -0.571 1.181 -0.218 -0.204 0.422 -0.204 -0.19 0.394 4 H 1 -0.0604 0.3075 0.9496 0.8003 0.5835 -0.1381 -0.5966 0.7516 -0.2814 -0.0087 -0.0082 0.0169 -1.167 -1.104 2.271 -0.417 -0.394 0.811 -0.389 -0.368 0.758 5 C 13 0.7971 0.237 -0.5553 0.5494 0.0967 0.8299 -0.2504 0.9667 0.0531 -0.002 -0.0011 0.0031 -1.056 -0.577 1.634 -0.377 -0.206 0.583 -0.352 -0.193 0.545 6 H 1 0.7483 0.5317 0.3967 -0.6183 0.3425 0.7074 -0.2402 0.7746 -0.585 -0.0021 -0.001 0.003 -1.094 -0.511 1.605 -0.39 -0.182 0.573 -0.365 -0.171 0.535 7 H 1 0.1415 0.3559 0.9238 0.9186 0.3007 -0.2566 -0.3691 0.8848 -0.2843 -0.0077 -0.0066 0.0142 -4.095 -3.496 7.592 -1.461 -1.248 2.709 -1.366 -1.166 2.532 8 H 1 -0.551 -0.0585 0.8324 0.3771 0.8724 0.3109 0.7444 -0.4852 0.4587 -0.0017 -0.0011 0.0027 -0.226 -0.142 0.368 -0.081 -0.051 0.131 -0.075 -0.047 0.123 9 C 13 -0.6336 0.1988 0.7476 0.4876 0.8529 0.1864 0.6006 -0.4827 0.6374 -0.0012 -0.001 0.0022 -0.655 -0.509 1.164 -0.234 -0.182 0.415 -0.218 -0.17 0.388 10 H 1 -0.4181 0.0651 0.9061 0.4002 0.9086 0.1194 0.8155 -0.4125 0.406 -0.0012 -7.0E-4 0.002 -0.659 -0.387 1.045 -0.235 -0.138 0.373 -0.22 -0.129 0.349 11 H 1 -0.5108 0.1539 0.8458 0.3088 0.951 0.0134 0.8023 -0.2681 0.5333 -0.0029 -0.0018 0.0047 -1.573 -0.959 2.532 -0.561 -0.342 0.904 -0.525 -0.32 0.845 12 H 1 0.5184 0.6247 0.584 0.7405 0.0137 -0.6719 -0.4277 0.7808 -0.4555 -0.168 -0.1558 0.3238 -28.766 -26.682 55.447 -10.264 -9.521 19.785 -9.595 -8.9 18.495 13 B 11 0.8714 0.2462 -0.4243 0.1857 0.635 0.7499 -0.4541 0.7323 -0.5076 -0.1484 -0.1041 0.2525 -32.092 -22.506 54.597 -11.451 -8.031 19.482 -10.705 -7.507 18.212 14 P 31 0.108 0.1572 0.9816 0.992 0.0476 -0.1167 -0.0651 0.9864 -0.1508 -0.0378 -0.0299 0.0677 2.734 2.164 -4.898 0.975 0.772 -1.748 0.912 0.722 -1.634 15 O 17 -0.0485 0.9118 0.4076 0.7326 -0.2449 0.6351 0.6789 0.3295 -0.6561 -0.0852 -0.0804 0.1656 6.163 5.821 -11.984 2.199 2.077 -4.276 2.056 1.942 -3.997 16 O 17 0.9517 -0.0377 0.3046 0.0925 0.9816 -0.1673 -0.2927 0.1874 0.9377 -0.0428 -0.035 0.0778 3.095 2.534 -5.629 1.104 0.904 -2.009 1.032 0.845 -1.878 17 O 17 -0.3937 0.9189 0.0238 0.1499 0.0386 0.988 0.907 0.3925 -0.1529 -0.0037 -0.0031 0.0068 -0.492 -0.418 0.91 -0.176 -0.149 0.325 -0.164 -0.14 0.304 18 C 13 -0.1665 0.9502 0.2634 0.9805 0.1313 0.1463 -0.1045 -0.2827 0.9535 -0.0043 -0.0013 0.0056 -0.573 -0.174 0.748 -0.205 -0.062 0.267 -0.191 -0.058 0.249 19 C 13 0.4642 -0.1518 0.8726 0.6332 0.7458 -0.2071 -0.6194 0.6487 0.4423 -0.0044 -0.0038 0.0082 -0.595 -0.507 1.103 -0.212 -0.181 0.394 -0.199 -0.169 0.368 20 C 13 -0.3539 0.5957 0.721 -0.1403 0.7284 -0.6707 0.9247 0.3385 0.1742 -0.0017 -0.0014 0.0031 -0.884 -0.751 1.636 -0.316 -0.268 0.584 -0.295 -0.251 0.546 21 H 1 -0.3208 0.6163 0.7192 0.4937 -0.5393 0.6823 0.8083 0.5739 -0.1313 -0.0019 -0.0014 0.0033 -1.016 -0.735 1.751 -0.363 -0.262 0.625 -0.339 -0.245 0.584 22 H 1 0.1114 0.6681 0.7357 -0.2849 0.7307 -0.6204 0.9521 0.1405 -0.2718 -0.0018 -0.0017 0.0035 -0.958 -0.91 1.868 -0.342 -0.325 0.667 -0.32 -0.304 0.623 23 H 1 -0.6658 0.738 -0.1097 0.7269 0.6748 0.1277 -0.1683 -0.0053 0.9857 -0.0024 -0.0016 0.004 -1.261 -0.855 2.116 -0.45 -0.305 0.755 -0.42 -0.285 0.706 24 H 1 -0.1884 0.8533 0.4862 0.9813 0.1438 0.1279 -0.0392 -0.5012 0.8644 -0.0021 -0.0015 0.0036 -1.137 -0.802 1.939 -0.406 -0.286 0.692 -0.379 -0.268 0.647 25 H 1 -0.501 0.7991 0.3322 0.8474 0.531 9.0E-4 0.1757 -0.2819 0.9432 -0.0046 -0.0032 0.0078 -2.47 -1.701 4.171 -0.881 -0.607 1.488 -0.824 -0.567 1.391 26 H 1 0.6558 0.1085 0.7471 0.4932 0.6876 -0.5328 -0.5715 0.7179 0.3975 -0.002 -0.0017 0.0037 -1.053 -0.933 1.986 -0.376 -0.333 0.709 -0.351 -0.311 0.662 27 H 1 0.0681 -0.336 0.9394 0.9512 0.3058 0.0404 -0.3009 0.8908 0.3404 -0.005 -0.0032 0.0083 -2.691 -1.719 4.409 -0.96 -0.613 1.573 -0.897 -0.573 1.471 28 H 1 0.6002 0.7434 -0.2951 0.2037 0.2147 0.9552 0.7734 -0.6335 -0.0226 -0.0038 -0.003 0.0068 -2.017 -1.624 3.64 -0.72 -0.579 1.299 -0.673 -0.542 1.214 29 H 1 -0.3959 0.81 -0.4327 -0.1643 0.4011 0.9012 0.9035 0.4279 -0.0257 -0.0993 0.0483 0.051 -13.319 6.477 6.841 -4.752 2.311 2.441 -4.443 2.161 2.282 30 C 13 -0.3478 0.2988 0.8887 0.862 0.4748 0.1777 -0.3688 0.8278 -0.4227 -0.076 -0.0719 0.1479 -10.2 -9.653 19.853 -3.64 -3.445 7.084 -3.402 -3.22 6.622 31 C 13 -0.5164 0.1944 0.834 0.782 0.5039 0.3668 -0.3489 0.8416 -0.4122 -0.0769 -0.0716 0.1485 -10.32 -9.606 19.926 -3.682 -3.428 7.11 -3.442 -3.204 6.646 32 C 13 -0.3627 0.8349 -0.4141 -0.7039 0.0457 0.7088 0.6107 0.5486 0.5711 -0.0752 0.0337 0.0414 -10.087 4.528 5.56 -3.599 1.616 1.984 -3.365 1.51 1.854 33 C 13 0.9226 0.3748 0.0911 -0.3045 0.8528 -0.4243 -0.2367 0.3637 0.9009 -0.0049 -0.0032 0.008 -2.606 -1.685 4.29 -0.93 -0.601 1.531 -0.869 -0.562 1.431 34 H 1 -0.3573 0.8346 -0.4192 -0.2411 0.3512 0.9047 0.9023 0.4244 0.0758 -0.0766 0.034 0.0425 -10.275 4.567 5.707 -3.666 1.63 2.037 -3.427 1.524 1.904 35 C 13 0.6505 -0.1007 0.7528 0.1233 0.992 0.0262 0.7495 -0.0758 -0.6577 -0.0039 -0.0037 0.0075 -2.057 -1.952 4.009 -0.734 -0.696 1.43 -0.686 -0.651 1.337 36 H 1 -0.4904 0.2069 0.8466 0.7933 0.5082 0.3354 -0.3608 0.836 -0.4133 -0.0849 -0.0755 0.1604 -11.388 -10.129 21.518 -4.064 -3.614 7.678 -3.799 -3.379 7.178 37 C 13 -0.4702 0.8251 -0.3131 -0.6799 -0.1124 0.7247 0.5627 0.5537 0.6139 -0.0025 -0.0022 0.0048 -1.357 -1.2 2.557 -0.484 -0.428 0.912 -0.453 -0.4 0.853 38 H 1 -0.317 0.7307 -0.6047 -0.2629 0.5449 0.7962 0.9113 0.4114 0.0193 -0.0026 -0.0024 0.0051 -1.41 -1.293 2.704 -0.503 -0.462 0.965 -0.47 -0.431 0.902 39 H 1 -0.4961 0.2026 0.8443 -0.3659 0.833 -0.4149 0.7874 0.5148 0.3391 -0.0117 -4.0E-4 0.0121 -6.227 -0.227 6.454 -2.222 -0.081 2.303 -2.077 -0.076 2.153 40 H 1 0.8945 0.4399 -0.0795 -0.4197 0.7653 -0.488 -0.1538 0.4699 0.8692 -0.0298 0.0016 0.0281 -15.886 0.88 15.006 -5.669 0.314 5.355 -5.299 0.294 5.005 41 H 1 PT60486.600S 2025-07-15T16:44:23.000 -77.35597 -19.29987 -19.29891 -19.29544 -14.41420 -10.36710 -10.36479 -10.36346 -10.30098 -10.29803 -10.29664 -10.29189 -10.29131 -10.29101 -10.28911 -10.28622 -10.27809 -6.81646 -6.79471 -4.94879 -4.94777 -4.94288 -1.19660 -1.14073 -1.13497 -0.99907 -0.93378 -0.85154 -0.82493 -0.82308 -0.80544 -0.79493 -0.78010 -0.77789 -0.70709 -0.67978 -0.67466 -0.66024 -0.62758 -0.62639 -0.62170 -0.59175 -0.56963 -0.56802 -0.55221 -0.54684 -0.54408 -0.54008 -0.53867 -0.53612 -0.53505 -0.52460 -0.51765 -0.49119 -0.47817 -0.46528 -0.46020 -0.45715 -0.44569 -0.44455 -0.44005 -0.43358 -0.42920 -0.42879 -0.42310 -0.41114 -0.40578 -0.40441 -0.39098 -0.38088 -0.33924 -0.32354 -0.27127 -0.21906 0.06612 0.07280 0.10223 0.12905 0.14004 0.15568 0.16010 0.16363 0.16563 0.17413 0.18331 0.19071 0.19705 0.19965 0.20140 0.20540 0.20890 0.21195 0.21568 0.22100 0.22437 0.23017 0.23101 0.23722 0.24194 0.24671 0.25113 0.25807 0.26063 0.26960 0.27281 0.28229 0.28982 0.30460 0.32085 0.33920 0.34393 0.35989 0.36636 0.37686 0.38840 0.40337 0.41260 0.44009 0.46398 0.47427 0.47943 0.49159 0.50590 0.51009 0.51089 0.52185 0.53036 0.53469 0.53896 0.54518 0.54941 0.55487 0.56270 0.56519 0.56952 0.58992 0.60061 0.62463 0.62794 0.63549 0.64751 0.65312 0.65708 0.65992 0.66915 0.68092 0.69131 0.69913 0.70547 0.71052 0.71616 0.71932 0.72222 0.72584 0.73086 0.73182 0.73641 0.74178 0.74591 0.74935 0.75082 0.75127 0.76039 0.76720 0.76906 0.77601 0.77921 0.78799 0.78931 0.79679 0.80249 0.81034 0.81717 0.82084 0.82703 0.83476 0.84101 0.84804 0.86265 0.86398 0.86635 0.87887 0.87933 0.88721 0.90103 0.93099 0.93859 0.94654 0.96006 0.97807 0.99021 0.99874 1.01726 1.02795 1.04591 1.04958 1.07023 1.07907 1.08518 1.11389 1.13465 1.13853 1.15657 1.16749 1.18430 1.19949 1.21365 1.22238 1.22701 1.24160 1.26356 1.27856 1.28825 1.29613 1.29732 1.32048 1.33715 1.35366 1.35901 1.37241 1.38503 1.39342 1.40533 1.41418 1.41869 1.42436 1.43732 1.45400 1.51438 1.54374 1.56858 1.56944 1.57851 1.58634 1.59276 1.60582 1.61194 1.62303 1.63386 1.63864 1.64291 1.64566 1.66732 1.66950 1.68705 1.71711 1.74691 1.76153 1.76293 1.77030 1.78315 1.79293 1.79746 1.81418 1.81505 1.82234 1.83918 1.84264 1.85466 1.85777 1.86190 1.86521 1.87229 1.87707 1.89065 1.90005 1.90518 1.91271 1.91966 1.92344 1.92749 1.93514 1.93993 1.94153 1.95166 1.95625 1.96164 1.97674 1.98093 1.98378 1.99822 2.00485 2.01897 2.03533 2.04264 2.04683 2.05961 2.07767 2.09136 2.10087 2.10337 2.11319 2.11641 2.12555 2.13056 2.18865 2.21307 2.24805 2.25338 2.25591 2.26082 2.27506 2.29381 2.30599 2.34706 2.35465 2.38738 2.38907 2.39278 2.39922 2.40285 2.41158 2.42086 2.43125 2.43689 2.44340 2.44551 2.45722 2.46839 2.47702 2.52597 2.53204 2.54075 2.58022 2.63715 2.64212 2.68017 2.71122 2.72341 2.72942 2.73818 2.74006 2.74493 2.74655 2.75000 2.75620 2.76222 2.77920 2.81333 2.81542 2.82112 2.82934 2.83955 2.84583 2.86110 2.90301 2.91291 2.92724 2.97426 2.97971 2.98476 2.99321 2.99883 3.00702 3.01126 3.02226 3.02965 3.05405 3.06901 3.07678 3.08479 3.11064 3.14773 3.16916 3.22486 3.24477 3.25015 3.27461 3.27534 3.30443 3.33512 3.34885 3.38803 3.42113 3.47065 3.70995 -77.35581 -19.29941 -19.29854 -19.29428 -14.41415 -10.36707 -10.36470 -10.36346 -10.30081 -10.29804 -10.29662 -10.29275 -10.29015 -10.28963 -10.28918 -10.28451 -10.27979 -6.81193 -6.79458 -4.94870 -4.94682 -4.94296 -1.19483 -1.13964 -1.13275 -0.99895 -0.93206 -0.84962 -0.82305 -0.82104 -0.80491 -0.79418 -0.77981 -0.77781 -0.69993 -0.67778 -0.67327 -0.65998 -0.62566 -0.62087 -0.61855 -0.59015 -0.56837 -0.56713 -0.54948 -0.54340 -0.54126 -0.53985 -0.53826 -0.53556 -0.53466 -0.52355 -0.51600 -0.49068 -0.47566 -0.46396 -0.45855 -0.45644 -0.44215 -0.44007 -0.43826 -0.43343 -0.42901 -0.42868 -0.42164 -0.41010 -0.40357 -0.40222 -0.38839 -0.37565 -0.32319 -0.31776 -0.27040 -0.00267 0.07167 0.08667 0.10488 0.12973 0.14059 0.15766 0.16117 0.16449 0.17130 0.18057 0.18404 0.19253 0.19737 0.19998 0.20268 0.20553 0.20951 0.21520 0.21695 0.22306 0.22467 0.23094 0.23224 0.24025 0.24243 0.24792 0.25260 0.25997 0.26226 0.27222 0.27472 0.28875 0.29191 0.30674 0.32281 0.33929 0.34508 0.36626 0.37283 0.37703 0.38911 0.40399 0.41395 0.44387 0.46613 0.47442 0.47980 0.49235 0.50607 0.51139 0.51373 0.52389 0.53312 0.53553 0.54025 0.54673 0.55068 0.55753 0.56311 0.56568 0.57046 0.59162 0.60479 0.62567 0.63036 0.63722 0.64889 0.65423 0.65651 0.66143 0.67311 0.68139 0.69268 0.70108 0.70728 0.71129 0.71623 0.71967 0.72314 0.72786 0.73129 0.73234 0.73672 0.74204 0.74721 0.74946 0.75134 0.75153 0.76115 0.76780 0.76979 0.77718 0.78030 0.78878 0.79000 0.79735 0.80282 0.81205 0.81770 0.82132 0.82813 0.83562 0.84273 0.84986 0.86389 0.86461 0.86669 0.88020 0.88196 0.88809 0.90401 0.93272 0.94387 0.94729 0.96085 0.97891 0.99145 0.99990 1.01759 1.03004 1.04930 1.05010 1.07088 1.08121 1.09202 1.11493 1.13565 1.14298 1.16564 1.16913 1.18570 1.20159 1.21664 1.22412 1.23019 1.24676 1.26572 1.27966 1.29009 1.29867 1.29924 1.32234 1.34146 1.35471 1.36261 1.37277 1.38905 1.39703 1.40633 1.41536 1.42036 1.42556 1.43781 1.45839 1.52645 1.55246 1.56929 1.57501 1.58064 1.58651 1.59359 1.60733 1.61243 1.62548 1.63434 1.64105 1.64382 1.64601 1.66818 1.67054 1.68856 1.72139 1.74783 1.76208 1.76351 1.77089 1.78470 1.79384 1.79780 1.81516 1.81683 1.82402 1.83949 1.84310 1.85558 1.85965 1.86280 1.86642 1.87423 1.87805 1.89097 1.90023 1.90663 1.91673 1.92008 1.92378 1.92756 1.93524 1.94039 1.94208 1.95176 1.95656 1.96222 1.97700 1.98145 1.98388 1.99961 2.00620 2.02083 2.03598 2.04439 2.04762 2.06401 2.07871 2.09249 2.10182 2.10428 2.11393 2.11683 2.12653 2.13187 2.19022 2.21302 2.24832 2.25430 2.25621 2.26101 2.27553 2.29393 2.30652 2.34766 2.35506 2.38865 2.38963 2.39342 2.39952 2.40351 2.41394 2.42119 2.43379 2.43811 2.44388 2.44673 2.45769 2.46881 2.47714 2.52634 2.53216 2.54081 2.58052 2.63973 2.64544 2.68130 2.71261 2.72388 2.72966 2.73891 2.74179 2.74550 2.74716 2.75137 2.75720 2.76264 2.78019 2.81392 2.81577 2.82200 2.82972 2.84014 2.84655 2.86170 2.90345 2.91359 2.92800 2.97492 2.98037 2.98547 2.99360 2.99931 3.00766 3.01165 3.02284 3.02984 3.05444 3.06938 3.07756 3.08544 3.11117 3.14891 3.17046 3.22566 3.24491 3.25028 3.27475 3.27542 3.30590 3.33609 3.34985 3.38888 3.42213 3.47170 3.71070 2-A. -1.49648426e+00 3.61391286e-01 7.61827172e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.8037 0.9186 1.9364 4.3659 -105.2493 -119.0219 -116.6522 3.2271 -0.9890 1.6203 8.3918 -5.3808 -3.0111 3.2271 -0.9890 1.6203 -97.2942 5.5295 28.9074 -49.2701 17.2358 -17.4296 -6.0003 -9.5931 7.3219 7.2262 -3697.6755 -2645.3785 -879.9625 120.4837 33.3357 14.2924 52.9221 -21.3957 -1.6452 -1084.8655 -814.2672 -558.0922 25.5918 2.9547 0.7497 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -1117.4219937 0.76949 0. 0.750254 4.22E-9 7.188E-6 -2.1611734,4.0525475,-1.8913741,3.0347824,3.0958626,2.567005 C01 [X(C12H24B1N1O3P1)] 1.2981772 0.6382864 0.9261619 -0.000008321 -0.000001949 -0.000012259 -0.000000409 0.000004298 0.000004998 0.000005952 0.000005796 0.000006081 0.000007669 -0.000011950 0.000004956 0.000016853 0.000019707 0.000004265 0.000002742 -0.000002287 -0.000002991 -0.000007651 -0.000001830 0.000002434 -0.000011048 -0.000007193 -0.000001999 0.000010301 -0.000013016 0.000000380 -0.000001016 -0.000000361 0.000001019 0.000000979 0.000000166 0.000000356 -0.000003574 0.000006528 0.000006283 -0.000001194 -0.000014114 0.000005529 -0.000001505 -0.000027131 0.000009909 0.000003807 0.000016426 -0.000011444 0.000015874 0.000018305 0.000013516 -0.000018164 0.000008586 0.000010565 -0.000002337 -0.000002778 -0.000003978 -0.000002318 -0.000003570 -0.000002645 0.000009436 0.000003865 -0.000016557 -0.000002070 0.000001845 -0.000002045 -0.000000874 -0.000000342 -0.000000363 0.000000638 0.000001682 -0.000002185 0.000001749 0.000007050 0.000000448 -0.000004971 -0.000002288 -0.000003787 -0.000001072 -0.000003014 -0.000000572 -0.000000525 -0.000000616 -0.000002026 0.000000088 -0.000001372 -0.000000379 0.000000411 0.000000652 0.000000641 -0.000012481 -0.000019644 -0.000007810 0.000005697 -0.000002948 0.000000981 0.000001453 0.000006431 -0.000002658 0.000003063 0.000002025 0.000001867 -0.000000468 -0.000000464 -0.000001523 -0.000000959 -0.000000347 -0.000002171 0.000004748 0.000004937 0.000003300 -0.000000770 0.000002868 0.000002779 -0.000001496 -0.000003045 0.000000068 0.000002032 -0.000000277 0.000002888 0.000000955 -0.000002849 0.000000729 0.000000627 0.000015077 -0.000000514 -0.000011854 -0.000002858 -0.000006085 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-2.5834,-1.4915,.3299;-2.7826,-1.3365,-1.0928;-3.1796,-2.2692,-1.5224;-3.516,-.5378,-1.2863;-2.1259,-.2707,.9472;-2.845,.5418,.7582;-2.0507,-.4018,2.0387;-1.1329,.0691,.5739;-1.7475,-2.6261,.6495;-1.6831,-2.7493,1.7428;-2.1865,-3.5475,.2368;-.7143,-2.5447,.2473;1.1795,-.2576,-1.3074;2.009,.6623,.0617;2.0553,2.23,-.246;1.4084,.6801,1.5659;3.5194,.1938,.4364;2.4482,3.1881,.727;1.2165,-.5209,2.2958;4.4812,-.0276,-.5872;2.6108,4.1322,.1935;1.6593,3.318,1.4809;3.3804,2.8845,1.2272;2.1846,-.9361,2.6157;.6173,-.2691,3.1793;.674,-1.2688,1.6959;5.4246,-.2788,-.087;4.1793,-.8597,-1.2415;4.6236,.8792,-1.1952;1.3069,-1.792,-1.4622;.5967,-2.4331,-2.5061;2.0488,-2.638,-.6017;.6075,-3.8141,-2.6661;.0139,-1.8202,-3.1985;2.0637,-4.0204,-.759;2.6235,-2.2049,.2229;1.3384,-4.6202,-1.79;.0391,-4.2703,-3.4805;2.6437,-4.6381,-.0686;1.3448,-5.7057,-1.9115;.4717,.4413,-1.99;-1.8475,-1.0814,-1.637; Gaussian 16 GINC-NODO02 CECILIA coments ES64L-G16RevC.02 120 C1[X(C12H24BNO3P)] 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 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-2.5834,-1.4915,.3299;-2.7826,-1.3365,-1.0928;-3.1796,-2.2692,-1.5224;-3.516,-.5378,-1.2863;-2.1259,-.2707,.9472;-2.845,.5418,.7582;-2.0507,-.4018,2.0387;-1.1329,.0691,.5739;-1.7475,-2.6261,.6495;-1.6831,-2.7493,1.7428;-2.1865,-3.5475,.2368;-.7143,-2.5447,.2473;1.1795,-.2576,-1.3074;2.009,.6623,.0617;2.0553,2.23,-.246;1.4084,.6801,1.5659;3.5194,.1938,.4364;2.4482,3.1881,.727;1.2165,-.5209,2.2958;4.4812,-.0276,-.5872;2.6108,4.1322,.1935;1.6593,3.318,1.4809;3.3804,2.8845,1.2272;2.1846,-.9361,2.6157;.6173,-.2691,3.1793;.674,-1.2688,1.6959;5.4246,-.2787,-.087;4.1793,-.8597,-1.2415;4.6236,.8792,-1.1952;1.3069,-1.792,-1.4622;.5967,-2.4331,-2.5061;2.0488,-2.638,-.6017;.6075,-3.8141,-2.6661;.0139,-1.8202,-3.1985;2.0637,-4.0204,-.759;2.6235,-2.2049,.2229;1.3384,-4.6202,-1.79;.0391,-4.2703,-3.4805;2.6437,-4.6381,-.0686;1.3448,-5.7057,-1.9115;.4717,.4413,-1.99;-1.8475,-1.0814,-1.637; 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 40 41 42 14 12 1 1 12 1 1 1 12 1 1 1 11 31 16 16 16 12 12 12 1 1 1 1 1 1 1 1 1 12 12 12 12 1 12 1 12 1 1 1 1 1 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 30.9737634 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 1 1 0 1 1 1 0 1 1 1 3 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 1 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 12.9400000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "8fos_TMA_add1.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 1 1 2 2 2 5 5 5 9 9 9 13 13 13 14 14 14 15 16 17 18 18 18 19 19 19 20 20 20 30 30 31 31 32 32 33 33 35 35 37 41 2 5 9 3 4 42 6 7 8 10 11 12 14 30 41 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 31 32 33 34 35 36 37 38 37 39 40 42 1.445 1.4425 1.4451 1.101 1.1015 1.1116 1.1014 1.1019 1.114 1.1021 1.101 1.1117 1.8463 1.5475 1.2064 1.5983 1.6198 1.6252 1.4209 1.4184 1.422 1.0965 1.0989 1.1007 1.1008 1.0968 1.1016 1.097 1.1007 1.101 1.416 1.4165 1.3902 1.0931 1.3914 1.0944 1.397 1.0929 1.396 1.093 1.0923 2.7968 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 2 2 5 1 1 1 3 3 4 1 1 1 6 6 7 1 1 1 10 10 11 14 14 30 13 13 13 15 15 16 14 14 14 15 15 15 21 21 22 16 16 16 24 24 25 17 17 17 27 27 28 13 13 31 30 30 33 30 30 35 31 31 37 32 32 37 33 33 35 13 2 1 1 1 2 2 2 2 2 2 5 5 5 5 5 5 9 9 9 9 9 9 13 13 13 14 14 14 14 14 14 15 16 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 30 30 30 31 31 31 32 32 32 33 33 33 35 35 35 37 37 37 41 42 5 9 9 3 4 42 4 42 42 6 7 8 7 8 8 10 11 12 11 12 12 30 41 41 15 16 17 16 17 17 18 19 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 31 32 32 33 34 34 35 36 36 37 38 38 37 39 39 35 40 40 42 41 111.9797 112.4397 112.729 110.0643 110.0315 113.0011 107.7957 107.8644 107.9155 110.1092 110.1705 113.4225 107.5968 107.4292 107.903 109.9339 110.0913 113.5875 107.5504 108.2317 107.2335 122.0908 113.2384 124.4788 111.0369 121.8403 116.4153 100.2984 107.4689 97.6807 122.5187 121.2448 120.5005 106.7633 110.5511 111.0611 109.786 109.4468 109.1984 110.4841 107.0955 111.175 109.446 109.5905 108.9945 106.8059 111.1083 110.8982 109.5008 109.2158 109.2619 118.7769 125.0629 116.1149 122.049 118.7178 119.2296 122.022 119.7656 118.209 120.3373 119.754 119.9085 120.3193 119.7198 119.9605 119.1484 120.447 120.4045 95.7229 152.1692 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 9 9 9 2 2 2 9 9 9 2 2 2 5 5 5 1 3 4 30 30 30 41 41 41 14 14 41 41 14 30 13 16 17 13 15 17 13 15 16 14 14 14 14 14 14 14 14 14 13 13 32 32 13 13 31 31 30 30 34 34 30 30 36 36 31 31 38 38 32 32 39 39 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 30 30 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 35 35 35 35 41 2 2 2 2 2 2 5 5 5 5 5 5 9 9 9 9 9 9 42 42 42 14 14 14 14 14 14 30 30 30 30 41 41 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 31 31 31 31 32 32 32 32 33 33 33 33 35 35 35 35 37 37 37 37 37 37 37 37 42 3 4 42 3 4 42 6 7 8 6 7 8 10 11 12 10 11 12 41 41 41 15 16 17 15 16 17 31 32 31 32 42 42 18 18 18 19 19 19 20 20 20 21 22 23 24 25 26 27 28 29 33 34 33 34 35 36 35 36 37 38 37 38 37 39 37 39 35 40 35 40 33 40 33 40 2 -177.1252 -58.4734 62.2218 54.7428 173.3947 -65.9102 57.5835 176.104 -62.8293 -174.4382 -55.9178 65.149 -175.8857 -57.5784 62.6821 56.3777 174.685 -65.0545 -49.8349 -171.7326 72.0571 164.0344 -78.3003 40.656 -20.7912 96.8741 -144.1697 177.44 -0.0128 2.8206 -174.6323 -123.9697 51.0705 169.9725 39.8546 -61.6584 58.943 -178.2161 -68.8034 46.2774 -78.9288 177.6824 167.2336 -73.3939 47.9853 72.4247 -168.4508 -49.4831 176.9849 -63.6489 58.0808 -176.6641 2.6298 1.0141 -179.6921 176.5705 -2.7441 -0.9431 179.7423 -0.3554 179.5021 -179.6458 0.2117 0.2133 -179.5642 179.5381 -0.2394 -0.4263 179.7349 179.7165 -0.1224 0.4954 -179.6656 -179.7276 0.1113 89.4233 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00044 0.00072 0.00081 0.00202 0.00211 0.00322 0.00451 0.00521 0.00562 0.00639 0.00703 0.00770 0.01242 0.01311 0.01560 0.01777 0.01823 0.02282 0.02386 0.02536 0.02596 0.02659 0.02833 0.02992 0.03900 0.04549 0.04961 0.05684 0.06046 0.06086 0.06177 0.06296 0.06385 0.07266 0.08053 0.08521 0.08534 0.08543 0.08546 0.08565 0.08664 0.09752 0.10257 0.10958 0.11144 0.11576 0.11977 0.12100 0.12377 0.12682 0.12814 0.12934 0.13107 0.13268 0.13369 0.14329 0.14770 0.15278 0.15836 0.15882 0.16203 0.16594 0.16997 0.17133 0.18403 0.18998 0.19071 0.19123 0.19195 0.19214 0.19328 0.19379 0.19518 0.19566 0.19770 0.20220 0.20953 0.21229 0.24071 0.25026 0.28511 0.30232 0.30925 0.31074 0.31556 0.32210 0.33456 0.33806 0.33916 0.33977 0.34029 0.34134 0.34148 0.34213 0.34287 0.34352 0.34588 0.34855 0.35163 0.35338 0.35393 0.36042 0.36155 0.36231 0.36254 0.36480 0.36818 0.38844 0.38974 0.39192 0.40224 0.41175 0.41346 0.42194 0.42685 0.43722 0.47170 0.47396 0.52115 0.53975 Angle between quadratic step and forces= 72.21 degrees. 1 2 3 0.00131306 0.00000133 0.00000000 0.00000079 0.00000002 0.00000002 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 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 2.73056 2.72588 2.73076 2.08058 2.08152 2.10059 2.08130 2.08226 2.10508 2.08259 2.08058 2.10082 3.48894 2.92437 2.27972 3.02027 3.06093 3.07115 2.68511 2.68048 2.68715 2.07211 2.07665 2.07995 2.08024 2.07262 2.08166 2.07299 2.08008 2.08061 2.67591 2.67687 2.62719 2.06559 2.62944 2.06803 2.63994 2.06531 2.63804 2.06542 2.06405 5.28518 1.95441 1.96244 1.96749 1.92098 1.92041 1.97224 1.88139 1.88259 1.88348 1.92177 1.92284 1.97960 1.87792 1.87499 1.88326 1.91871 1.92146 1.98248 1.87711 1.88900 1.87158 2.13089 1.97638 2.17256 1.93796 2.12651 2.03183 1.75054 1.87569 1.70485 2.13835 2.11612 2.10313 1.86337 1.92948 1.93838 1.91613 1.91021 1.90587 1.92831 1.86917 1.94037 1.91019 1.91271 1.90231 1.86411 1.93921 1.93554 1.91115 1.90618 1.90698 2.07305 2.18276 2.02659 2.13016 2.07202 2.08095 2.12969 2.09030 2.06314 2.10028 2.09010 2.09280 2.09997 2.08950 2.09371 2.07953 2.10220 2.10145 1.67068 2.65585 -3.09142 -1.02055 1.08598 0.95544 3.02631 -1.15035 1.00502 3.07359 -1.09658 -3.04452 -0.97595 1.13706 -3.06978 -1.00493 1.09401 0.98398 3.04883 -1.13542 -0.86978 -2.99730 1.25763 2.86294 -1.36660 0.70958 -0.36288 1.69077 -2.51624 3.09691 -0.00022 0.04923 -3.04791 -2.16368 0.89135 2.96658 0.69559 -1.07614 1.02875 -3.11046 -1.20085 0.80769 -1.37757 3.10114 2.91878 -1.28096 0.83750 1.26405 -2.94002 -0.86364 3.08897 -1.11088 1.01370 -3.08337 0.04590 0.01770 -3.13622 3.08174 -0.04789 -0.01646 3.13709 -0.00620 3.13290 -3.13541 0.00370 0.00372 -3.13399 3.13353 -0.00418 -0.00744 3.13697 3.13664 -0.00214 0.00865 -3.13576 -3.13684 0.00194 1.56073 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00002 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -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 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00004 0.00002 -0.00003 -0.00004 -0.00002 -0.00002 0.00001 -0.00004 0.00000 -0.00001 -0.00002 0.00005 0.00001 0.00004 0.00008 0.00001 -0.00005 -0.00001 0.00003 0.00006 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00002 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00079 0.00006 0.00006 -0.00005 -0.00004 -0.00003 0.00014 -0.00001 -0.00006 -0.00001 -0.00003 -0.00002 -0.00006 0.00001 0.00000 0.00010 -0.00000 0.00001 -0.00006 0.00002 0.00001 0.00003 0.00022 -0.00033 0.00017 -0.00011 0.00005 0.00004 0.00001 -0.00005 0.00007 -0.00001 -0.00025 -0.00005 -0.00001 0.00004 -0.00001 -0.00000 -0.00000 -0.00001 -0.00009 0.00008 0.00003 0.00005 0.00002 -0.00009 -0.00000 0.00002 -0.00006 -0.00003 0.00002 0.00004 0.00010 -0.00014 0.00004 -0.00002 0.00001 0.00001 -0.00002 -0.00002 0.00004 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00049 -0.00067 -0.00016 -0.00022 -0.00015 -0.00020 -0.00025 -0.00019 -0.00074 -0.00076 -0.00068 -0.00064 -0.00066 -0.00058 0.00051 0.00054 0.00055 0.00041 0.00045 0.00045 0.00216 0.00216 0.00221 -0.00112 -0.00117 -0.00099 -0.00042 -0.00047 -0.00029 0.00093 0.00072 0.00017 -0.00004 -0.00105 -0.00033 -0.00019 -0.00019 -0.00025 -0.00146 -0.00157 -0.00161 0.00057 0.00073 0.00071 0.00121 0.00122 0.00122 0.00307 0.00312 0.00308 0.00141 0.00139 0.00142 -0.00019 -0.00014 -0.00001 0.00004 0.00021 0.00017 0.00001 -0.00003 0.00001 0.00001 -0.00004 -0.00004 -0.00000 -0.00001 0.00004 0.00003 -0.00000 0.00002 -0.00000 0.00001 -0.00000 -0.00002 0.00000 -0.00001 -0.00076 -0.00003 0.00004 0.00002 -0.00003 -0.00004 -0.00002 -0.00002 0.00001 -0.00004 0.00000 -0.00001 -0.00002 0.00005 0.00001 0.00004 0.00008 0.00001 -0.00005 -0.00001 0.00003 0.00006 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00002 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00079 0.00006 0.00006 -0.00005 -0.00004 -0.00003 0.00014 -0.00001 -0.00006 -0.00001 -0.00003 -0.00002 -0.00006 0.00001 0.00000 0.00010 -0.00000 0.00001 -0.00006 0.00002 0.00001 0.00003 0.00022 -0.00033 0.00017 -0.00011 0.00005 0.00004 0.00001 -0.00005 0.00007 -0.00001 -0.00025 -0.00005 -0.00001 0.00004 -0.00001 -0.00000 -0.00000 -0.00001 -0.00009 0.00008 0.00003 0.00005 0.00002 -0.00009 -0.00000 0.00002 -0.00006 -0.00003 0.00002 0.00004 0.00010 -0.00014 0.00004 -0.00002 0.00001 0.00001 -0.00002 -0.00002 0.00004 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00049 -0.00067 -0.00016 -0.00022 -0.00015 -0.00020 -0.00025 -0.00019 -0.00074 -0.00076 -0.00068 -0.00064 -0.00066 -0.00058 0.00051 0.00054 0.00055 0.00041 0.00045 0.00045 0.00216 0.00216 0.00221 -0.00112 -0.00117 -0.00099 -0.00042 -0.00047 -0.00029 0.00093 0.00072 0.00017 -0.00004 -0.00105 -0.00033 -0.00019 -0.00019 -0.00025 -0.00146 -0.00157 -0.00161 0.00057 0.00073 0.00071 0.00121 0.00122 0.00122 0.00307 0.00312 0.00308 0.00141 0.00139 0.00142 -0.00019 -0.00014 -0.00001 0.00004 0.00021 0.00017 0.00001 -0.00003 0.00001 0.00001 -0.00004 -0.00004 -0.00000 -0.00001 0.00004 0.00003 -0.00000 0.00002 -0.00000 0.00001 -0.00000 -0.00002 0.00000 -0.00001 -0.00076 2.73053 2.72592 2.73078 2.08055 2.08148 2.10057 2.08128 2.08226 2.10504 2.08259 2.08057 2.10080 3.48899 2.92439 2.27976 3.02035 3.06093 3.07110 2.68510 2.68051 2.68721 2.07211 2.07666 2.07996 2.08024 2.07262 2.08167 2.07299 2.08009 2.08060 2.67589 2.67686 2.62719 2.06560 2.62944 2.06805 2.63994 2.06532 2.63804 2.06542 2.06406 5.28440 1.95448 1.96251 1.96744 1.92094 1.92038 1.97238 1.88138 1.88253 1.88347 1.92174 1.92281 1.97953 1.87793 1.87500 1.88337 1.91871 1.92146 1.98241 1.87713 1.88901 1.87161 2.13111 1.97605 2.17273 1.93785 2.12656 2.03187 1.75055 1.87564 1.70492 2.13834 2.11587 2.10308 1.86337 1.92952 1.93837 1.91612 1.91021 1.90586 1.92823 1.86925 1.94040 1.91024 1.91274 1.90222 1.86411 1.93923 1.93548 1.91112 1.90620 1.90702 2.07315 2.18262 2.02663 2.13013 2.07203 2.08096 2.12966 2.09029 2.06318 2.10028 2.09011 2.09279 2.09996 2.08951 2.09371 2.07954 2.10218 2.10145 1.67117 2.65518 -3.09158 -1.02077 1.08582 0.95525 3.02606 -1.15054 1.00428 3.07284 -1.09726 -3.04516 -0.97661 1.13648 -3.06927 -1.00439 1.09455 0.98439 3.04928 -1.13497 -0.86763 -2.99514 1.25984 2.86182 -1.36777 0.70859 -0.36329 1.69030 -2.51652 3.09784 0.00050 0.04939 -3.04795 -2.16473 0.89102 2.96639 0.69540 -1.07639 1.02729 -3.11203 -1.20245 0.80827 -1.37683 3.10185 2.91998 -1.27975 0.83872 1.26712 -2.93690 -0.86057 3.09038 -1.10949 1.01512 -3.08356 0.04576 0.01769 -3.13618 3.08195 -0.04773 -0.01645 3.13706 -0.00619 3.13291 -3.13545 0.00365 0.00372 -3.13399 3.13357 -0.00414 -0.00744 3.13698 3.13664 -0.00212 0.00865 -3.13578 -3.13683 0.00193 1.55997 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000021 0.000005 0.005227 0.001313 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.553812e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 394 A 376 A 376 630 394 74 73 1577.4090926383 42 42 42 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 -0.0348852521 0.000000 1.444951 0.000000 2.095627 1.100994 0.000000 2.095599 1.101493 1.779538 0.000000 1.442475 2.393499 3.347187 2.644286 0.000000 2.094325 2.637821 3.635253 2.407407 1.101376 0.000000 2.095472 3.348946 4.176516 3.636062 1.101882 1.777906 0.000000 2.144556 2.734102 3.748575 3.083510 1.113960 1.785753 1.791565 0.000000 1.445055 2.402107 2.626006 3.352021 2.404095 3.354390 2.639919 2.765396 0.000000 2.094904 3.353390 3.623764 4.174380 2.640540 3.626397 2.394463 3.100379 1.102059 0.000000 2.096055 2.647983 2.390690 3.625741 3.353514 4.174705 3.627786 3.782053 1.100995 1.777214 0.000000 2.147029 2.744718 3.047277 3.772164 2.766532 3.785190 3.096330 2.667185 1.111706 1.793609 1.781384 0.000000 4.285226 4.111987 4.805753 4.703900 4.001149 4.593758 4.653125 2.998871 4.243418 4.868993 4.953669 3.351792 0.000000 5.079453 5.318573 6.166454 5.812269 4.330317 4.905183 4.639159 3.238107 5.026906 5.300626 5.946069 4.211348 1.846266 0.000000 5.974872 6.069795 7.019766 6.307319 5.015940 5.279367 5.385682 3.937792 6.232533 6.536396 7.183750 5.541812 2.842820 1.598259 0.000000 4.709349 5.357218 6.267895 5.819609 3.711863 4.331637 3.655055 2.795588 4.661539 4.620549 5.706385 4.079685 3.031119 1.619772 2.470571 0.000000 6.332113 6.662966 7.401388 7.280057 5.687328 6.382021 5.826492 4.655936 5.978024 6.118380 6.826049 5.045696 2.952900 1.625181 2.599058 2.443058 0.000000 6.882827 7.151551 8.155653 7.314835 5.738806 5.917934 5.903224 4.751364 7.170357 7.304259 8.190824 6.564771 4.197722 2.648589 1.420901 2.841664 3.193353 0.000000 4.387058 5.304792 6.079634 5.935367 3.612926 4.471025 3.279542 2.971986 3.990889 3.698587 4.998062 3.467000 3.613011 2.649363 3.838202 1.418448 3.044862 4.211296 0.000000 7.272749 7.398062 8.036657 8.043868 6.787285 7.470470 7.049928 5.733698 6.861321 7.129899 7.584689 5.833100 3.387123 2.647467 3.331385 3.818270 1.421978 4.025056 4.383289 0.000000 7.656691 7.787838 8.800697 7.844527 6.510772 6.555638 6.759582 5.537939 8.054616 8.257917 9.055097 7.459225 4.855025 3.524128 2.029787 3.904651 4.049060 1.096513 5.292933 4.627247 0.000000 6.515921 6.929606 7.978297 7.022017 5.243247 5.340318 5.283240 4.378870 6.901433 6.932023 7.967081 6.444178 4.559599 3.031365 2.079147 2.651195 3.783038 1.098918 3.949387 4.840822 1.796037 0.000000 7.451293 7.821886 8.783829 8.098768 6.352413 6.668170 6.399662 5.359380 7.549518 7.592428 8.564037 6.870431 4.597892 2.859580 2.086736 2.977086 2.807881 1.100664 4.173874 3.603336 1.793719 1.792923 0.000000 5.316664 6.211767 6.904805 6.919592 4.669782 5.561617 4.307703 4.023024 4.709863 4.359912 5.620072 4.074347 4.106264 3.018055 4.269681 2.077654 2.794229 4.543767 1.100818 4.044587 5.633490 4.434100 4.237334 0.000000 4.456204 5.563221 6.365815 6.090810 3.536597 4.302019 2.904691 3.156809 4.188933 3.675182 5.221846 3.943088 4.521767 3.538817 4.477235 2.032140 4.019849 4.617141 1.096784 5.401306 5.679811 4.103374 4.624986 1.794057 0.000000 3.539275 4.441815 5.119525 5.194634 3.065350 4.067109 2.879850 2.512696 2.966625 2.783955 3.937581 2.377792 3.209039 2.860366 4.233228 2.086686 3.438226 4.893881 1.101567 4.609516 5.931161 4.696351 4.979336 1.799562 1.789653 0.000000 8.110083 8.335998 8.947396 9.024411 7.621041 8.353149 7.772703 6.599900 7.582304 7.744166 8.289727 6.552283 4.417102 3.546069 4.203746 4.447704 2.031601 4.641235 4.841964 1.096979 5.239499 5.438110 3.988993 4.270237 5.811951 5.169831 0.000000 6.971605 6.979803 7.498001 7.702167 6.700245 7.436707 7.055708 5.690157 6.467061 6.844341 7.066401 5.385448 3.060353 2.953897 3.879279 4.234500 2.088301 4.822513 4.626612 1.100733 5.425698 5.587099 4.555401 4.343170 5.707872 4.591607 1.794753 0.000000 7.738681 7.731195 8.420820 8.262493 7.174092 7.727202 7.526307 6.076407 7.502019 7.846811 8.247700 6.503594 3.628568 2.909139 3.053120 4.242749 2.085948 3.709169 5.074969 1.101010 4.069526 4.679330 3.381454 4.875147 6.041880 5.345200 1.791819 1.795391 0.000000 4.293802 4.131324 4.512244 4.986405 4.461389 5.255051 5.046076 3.682695 3.805820 4.486512 4.262939 2.752115 1.547512 2.973088 4.268041 3.910451 3.527556 5.558506 3.968223 3.735641 6.287927 5.907559 5.779476 4.258246 4.933389 3.263162 4.597496 3.028002 4.267015 0.000000 4.363802 3.823522 3.905754 4.689784 4.900402 5.599207 5.638283 4.328871 3.935761 4.832245 4.063473 3.051604 2.551419 4.262665 5.383375 5.189682 4.909359 6.743841 5.205700 4.955637 7.378903 7.078260 7.068520 5.567388 6.083340 4.361056 5.814008 4.112226 5.376477 1.416029 0.000000 4.862042 5.027628 5.321668 5.987156 5.042910 5.992455 5.364506 4.339713 3.997129 4.408627 4.412278 2.892035 2.630591 3.366546 4.880952 4.014754 3.355503 5.988986 3.683727 3.568034 6.839814 6.321618 5.967872 3.642299 4.685711 3.007237 4.150557 2.847958 4.399160 1.416539 2.403658 0.000000 4.955100 4.484047 4.247039 5.444399 5.751835 6.528398 6.391046 5.348478 4.236858 5.081289 4.037948 3.441888 3.849966 5.426195 6.669658 6.224921 5.845358 7.995751 5.986378 5.802123 8.679519 8.316953 8.229086 6.218348 6.836349 5.050797 6.508061 4.849295 6.349786 2.455038 1.390248 2.778937 0.000000 4.393661 3.533893 3.634516 4.214402 4.915972 5.422910 5.805421 4.372169 4.308075 5.306591 4.430299 3.595691 2.716012 4.557662 5.411903 5.558423 5.436673 6.813078 5.772535 5.476206 7.326683 7.141834 7.283822 6.268884 6.591378 4.969451 6.429104 4.701395 5.705201 2.165031 1.093064 3.399014 2.147482 0.000000 5.401511 5.549845 5.580476 6.598418 5.875697 6.871009 6.152191 5.358962 4.295653 4.681126 4.390818 3.302600 3.904036 4.754425 6.271432 5.284831 4.616051 7.370113 4.721826 4.670811 8.226253 7.683318 7.304538 4.573409 5.627936 3.940684 5.074210 3.833923 5.545271 2.456206 2.779228 1.391441 2.408351 3.872229 0.000000 5.256626 5.631213 6.060223 6.538339 5.179050 6.142943 5.328866 4.405067 4.411854 4.599279 4.993882 3.355081 2.866876 2.936805 4.495701 3.406444 2.569510 5.419393 3.018695 2.974586 6.337196 5.745922 5.242515 2.743791 4.063537 2.616605 3.413606 2.524821 3.939973 2.177936 3.406958 1.094357 3.872936 4.320167 2.138523 0.000000 5.446451 5.315212 5.100163 6.362796 6.197763 7.116250 6.628755 5.803891 4.410288 5.011073 4.205240 3.559768 4.392132 5.637707 7.058565 6.273808 5.734856 8.278681 5.789035 5.693477 9.064083 8.591726 8.342283 5.805093 6.644224 4.881112 6.200436 4.744778 6.433504 2.847280 2.417920 2.417859 1.396998 3.402738 1.395988 3.396541 0.000000 5.396142 4.719071 4.265930 5.602151 6.347302 7.031384 7.056467 6.053255 4.790846 5.706324 4.392519 4.176316 4.703691 6.384226 7.535303 7.200540 6.883540 8.895728 6.986404 6.789975 9.524353 9.209956 9.193337 7.272131 7.790778 6.017269 7.513470 5.812639 7.263465 3.438376 2.152991 3.871838 1.092917 2.466399 3.401221 4.965851 2.160706 0.000000 6.114136 6.433821 6.452641 7.499141 6.546396 7.592183 6.665192 6.069027 4.883270 5.056710 4.961229 3.969652 4.782000 5.339885 6.895536 5.699219 4.936538 7.868963 4.957658 4.990185 8.774246 8.165175 7.668839 4.595780 5.808855 4.283166 5.170849 4.243827 5.969086 3.439382 3.872178 2.153740 3.401782 4.965195 1.092972 2.450631 2.160399 4.308211 0.000000 6.181708 6.065854 5.694787 7.122115 7.053821 7.981991 7.433981 6.757493 5.060072 5.591223 4.662898 4.346438 5.483977 6.699701 8.139629 7.271484 6.711608 9.342275 6.678256 6.620518 10.139872 9.645437 9.369408 6.629436 7.483361 5.757524 7.030313 5.653934 7.390856 3.939513 3.409217 3.409104 2.165885 4.304064 2.164524 4.294822 1.092250 2.495440 2.494616 0.000000 4.295572 3.815264 4.571444 4.166019 3.985218 4.308559 4.827433 3.047482 4.615283 5.362573 5.285459 3.915152 1.206377 2.573253 2.957855 3.685000 3.903462 4.339753 4.455223 4.273580 4.792311 4.661928 4.977962 5.103326 5.219917 4.068342 5.354543 3.999888 4.249877 2.442095 2.923063 3.727802 4.310909 2.604658 4.894546 4.065639 5.139066 4.960587 5.848895 6.209147 0.000000 2.139796 1.111583 1.788483 1.789467 2.722671 3.060502 3.743516 2.592805 2.761249 3.772553 3.115819 2.641277 3.154413 4.560565 5.303991 4.895170 5.893130 6.501537 5.016954 6.501174 7.099932 6.432289 7.159832 5.862152 5.471023 4.183532 7.478710 6.043888 6.776025 3.238216 2.925181 4.321605 3.815006 2.539504 4.970559 4.971068 4.764161 4.138441 5.939832 5.625856 2.796799 0.000000 C12H24BNO3P(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 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:2.4267,-2.7364,.1245;2.8058,-2.4012,-1.2289;3.8671,-2.11,-1.2627;2.6758,-3.2764,-1.885;1.0593,-3.1885,.2058;.9092,-4.0606,-.4499;.8232,-3.5014,1.2356;.318,-2.4134,-.095;2.7199,-1.6738,1.0588;2.4836,-1.9996,2.0847;3.7926,-1.4278,1.0274;2.1606,-.735,.8546;-.2816,.3144,-1.1872;-1.8379,-.0019,-.2456;-2.9822,-.5734,-1.204;-1.9029,-1.0825,.9593;-2.4639,1.2619,.5619;-4.206,-1.0955,-.7053;-1.0671,-.9645,2.0993;-2.5832,2.5321,-.0661;-4.8807,-1.1948,-1.5639;-4.0456,-2.0792,-.2424;-4.6534,-.4155,.0356;-1.4018,-.1326,2.7379;-1.1458,-1.9064,2.6556;-.0166,-.8068,1.8078;-3.0773,3.1965,.6535;-1.5945,2.9409,-.3247;-3.1976,2.4636,-.9771;.8595,1.1915,-.6185;2.0455,1.3431,-1.3772;.842,1.8305,.6456;3.1388,2.0585,-.9021;2.1031,.8717,-2.3617;1.9333,2.5487,1.1244;-.0467,1.7558,1.2798;3.093,2.6641,.356;4.0388,2.1449,-1.5161;1.8815,3.021,2.1087;3.9525,3.223,.7328;-.2192,-.2998,-2.2237;2.2091,-1.5645,-1.6526; 0.4335595 0.2833247 0.2093559 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= 393 393 393 393 393 MxSgAt= 42 MxSgA2= 42. 1 open 1 1 1 -1117.42199366736 -1117.42199367 1 0.7695 1.108064236726e+03 -5.769727799606e+03 1.966867361826e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572543444 LenY= 1572387767 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. 0.7695 Using compressed storage, NAtomX= 42. Will process 43 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 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. 12678 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= 126 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= 126 NMatS0= 126 NMatT0= 0 NMatD0= 126 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 4.45D-14 1.00D-09 XBig12= 2.03D+02 5.48D+00. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 4.45D-14 1.00D-09 XBig12= 1.75D+01 6.47D-01. 126 vectors produced by pass 2 Test12= 4.45D-14 1.00D-09 XBig12= 3.95D-01 1.33D-01. 126 vectors produced by pass 3 Test12= 4.45D-14 1.00D-09 XBig12= 6.88D-03 1.14D-02. 126 vectors produced by pass 4 Test12= 4.45D-14 1.00D-09 XBig12= 6.62D-05 1.26D-03. 126 vectors produced by pass 5 Test12= 4.45D-14 1.00D-09 XBig12= 5.53D-07 1.09D-04. 126 vectors produced by pass 6 Test12= 4.45D-14 1.00D-09 XBig12= 5.71D-09 5.36D-06. 56 vectors produced by pass 7 Test12= 4.45D-14 1.00D-09 XBig12= 5.19D-11 4.97D-07. 6 vectors produced by pass 8 Test12= 4.45D-14 1.00D-09 XBig12= 4.60D-13 4.40D-08. 3 vectors produced by pass 9 Test12= 4.45D-14 1.00D-09 XBig12= 3.98D-15 4.27D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 947 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 187.69 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 226.683 30.702 173.533 -3.373 13.675 162.850 220.767 27.815 178.269 -5.134 18.158 195.917 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 N C H H C H H H C H H H B P O O O C C C H H H H H H H H H C C C C H C H C H H H H H 14 13 1 1 13 1 1 1 13 1 1 1 11 31 17 17 17 13 13 13 1 1 1 1 1 1 1 1 1 13 13 13 13 1 13 1 13 1 1 1 1 1 0.00235 0.00016 0.00011 0.00002 0.00591 0.00005 0.00006 0.00019 -0.00042 0.00001 0.00007 0.00020 0.06309 -0.05270 0.02645 0.05773 0.00626 0.00265 -0.00026 0.00893 -0.00008 0.00041 0.00016 -0.00001 0.00005 0.00011 0.00037 0.00035 0.00015 -0.05066 0.02754 0.02802 -0.02191 -0.00217 -0.02192 -0.00211 0.02819 0.00101 0.00103 -0.00226 -0.00816 0.00017 0.76023 0.18094 0.49767 0.06832 6.64879 0.24317 0.28111 0.86769 -0.47390 0.03109 0.33448 0.90807 90.49202 -95.45148 -16.03349 -34.99440 -3.79725 2.97449 -0.28682 10.04351 -0.36937 1.83794 0.71092 -0.04976 0.20935 0.49475 1.65374 1.56667 0.64822 -56.95079 30.95546 31.50408 -24.62597 -9.69451 -24.63842 -9.41137 31.69133 4.49681 4.58735 -10.09078 -36.47839 0.75909 0.27127 0.06456 0.17758 0.02438 2.37245 0.08677 0.10031 0.30961 -0.16910 0.01109 0.11935 0.32402 32.28980 -34.05946 -5.72115 -12.48687 -1.35495 1.06137 -0.10234 3.58378 -0.13180 0.65582 0.25368 -0.01776 0.07470 0.17654 0.59010 0.55903 0.23130 -20.32146 11.04568 11.24144 -8.78716 -3.45924 -8.79160 -3.35821 11.30825 1.60457 1.63688 -3.60064 -13.01640 0.27086 0.25359 0.06035 0.16600 0.02279 2.21780 0.08111 0.09377 0.28943 -0.15807 0.01037 0.11157 0.30290 30.18489 -31.83919 -5.34820 -11.67288 -1.26663 0.99218 -0.09567 3.35016 -0.12321 0.61307 0.23714 -0.01660 0.06983 0.16503 0.55163 0.52259 0.21622 -18.99674 10.32563 10.50863 -8.21434 -3.23374 -8.21849 -3.13930 10.57109 1.49997 1.53018 -3.36592 -12.16788 0.25320 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 0.001657 0.001049 0.001284 0.000143 0.000722 -0.001393 -0.001341 -0.003745 0.000857 0.000067 0.000971 0.002114 -0.071350 -0.064239 -0.029583 0.032962 -0.032381 0.004941 -0.001308 0.000681 0.002386 0.001613 0.003013 -0.001782 -0.001518 -0.003210 -0.000059 -0.002190 0.002593 0.027364 -0.042517 -0.046214 0.022281 -0.004000 0.026832 0.002533 -0.047039 -0.000085 0.003775 0.004570 -0.022869 0.002875 0.001962 0.000841 -0.000051 0.000786 0.005939 0.002740 0.001113 0.009576 -0.000166 -0.000235 -0.000270 -0.001355 0.131816 0.084444 0.064856 -0.057662 -0.031066 -0.002056 -0.003435 0.001252 -0.000984 -0.000043 -0.001643 -0.002016 -0.000669 -0.003233 0.001068 0.005688 0.000509 -0.048019 0.078382 0.084098 -0.039857 -0.001918 -0.041478 -0.003596 0.088959 -0.000291 -0.001273 0.002431 0.001415 0.000421 -0.003618 -0.001890 -0.001233 -0.000930 -0.006661 -0.001347 0.000228 -0.005831 -0.000691 0.000167 -0.000701 -0.000759 -0.060465 -0.020205 -0.035272 0.024700 0.063447 -0.002885 0.004743 -0.001933 -0.001402 -0.001570 -0.001370 0.003798 0.002188 0.006443 -0.001010 -0.003497 -0.003102 0.020655 -0.035865 -0.037883 0.017576 0.005918 0.014646 0.001062 -0.041920 0.000375 -0.002501 -0.007001 0.021454 -0.003296 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 -0.006316 -0.003083 -0.001313 -0.001500 -0.011271 -0.001173 -0.001173 -0.006843 -0.001392 -0.000875 -0.000889 -0.001317 -0.164131 -0.128100 -0.006403 0.055249 -0.005908 0.003723 0.000673 -0.004775 0.001453 0.002266 0.000690 0.000378 0.000202 0.000032 -0.002260 -0.003037 -0.005162 0.048352 -0.066714 -0.064086 0.035556 -0.001561 0.036239 -0.000622 -0.070190 0.002307 0.002859 0.006206 -0.014279 -0.003967 0.002484 0.000270 -0.000285 -0.000516 0.004249 0.000342 0.000233 0.002034 0.001583 0.001330 0.001082 0.003297 0.089771 0.098593 0.000124 -0.109518 -0.033207 -0.001368 -0.000554 -0.003553 0.000784 -0.000373 -0.001355 -0.000979 -0.000117 0.002064 -0.001352 -0.001293 -0.000042 -0.025331 0.035542 0.033944 -0.013675 -0.002533 -0.015989 -0.005603 0.039067 0.002389 0.000090 0.008054 -0.001307 -0.001938 -0.002533 -0.000608 0.000097 0.000640 -0.005457 0.000331 -0.002028 -0.005597 -0.000815 -0.001005 -0.000480 -0.001085 -0.175030 -0.127924 -0.015735 -0.054946 0.019911 -0.000606 -0.002597 0.003530 0.000157 -0.000585 -0.000243 0.000033 -0.002486 -0.003309 0.001543 0.004058 0.000303 0.051670 -0.078027 -0.077217 0.040060 0.003611 0.038974 0.000572 -0.083139 0.002469 0.000156 0.000262 0.011912 0.001130 -0.2419 0.1378 0.9605 0.699 0.7113 0.0739 -0.673 0.6892 -0.2684 -0.0046 -0.0045 0.0091 -0.178 -0.174 0.352 -0.063 -0.062 0.125 -0.059 -0.058 0.117 1 N 14 0.5318 0.6294 0.5667 -0.4581 -0.349 0.8175 0.7123 -0.6943 0.1027 -0.0023 -0.0018 0.0041 -0.31 -0.239 0.549 -0.111 -0.085 0.196 -0.103 -0.08 0.183 2 C 13 0.1566 0.0907 0.9835 0.5028 0.8498 -0.1585 0.8501 -0.5193 -0.0875 -0.0013 -8.0E-4 0.0021 -0.677 -0.451 1.129 -0.242 -0.161 0.403 -0.226 -0.151 0.376 3 H 1 0.1496 -0.2044 0.9674 0.7796 0.6262 0.0117 -0.6082 0.7524 0.253 -0.0011 -0.0011 0.0022 -0.611 -0.571 1.181 -0.218 -0.204 0.422 -0.204 -0.19 0.394 4 H 1 -0.0604 0.3075 0.9496 0.8003 0.5835 -0.1381 -0.5966 0.7516 -0.2814 -0.0087 -0.0082 0.0169 -1.167 -1.104 2.271 -0.417 -0.394 0.811 -0.389 -0.368 0.758 5 C 13 0.7971 0.237 -0.5553 0.5494 0.0967 0.8299 -0.2504 0.9667 0.0531 -0.002 -0.0011 0.0031 -1.056 -0.577 1.634 -0.377 -0.206 0.583 -0.352 -0.193 0.545 6 H 1 0.7483 0.5317 0.3967 -0.6183 0.3425 0.7074 -0.2402 0.7746 -0.585 -0.0021 -0.001 0.003 -1.094 -0.511 1.605 -0.39 -0.182 0.573 -0.365 -0.171 0.535 7 H 1 0.1415 0.3559 0.9238 0.9186 0.3007 -0.2566 -0.3691 0.8848 -0.2843 -0.0077 -0.0066 0.0142 -4.095 -3.496 7.592 -1.461 -1.248 2.709 -1.366 -1.166 2.532 8 H 1 -0.551 -0.0585 0.8324 0.3771 0.8724 0.3109 0.7444 -0.4852 0.4587 -0.0017 -0.0011 0.0027 -0.226 -0.142 0.368 -0.081 -0.051 0.131 -0.075 -0.047 0.123 9 C 13 -0.6336 0.1988 0.7476 0.4876 0.8529 0.1864 0.6006 -0.4827 0.6374 -0.0012 -0.001 0.0022 -0.655 -0.509 1.164 -0.234 -0.182 0.415 -0.218 -0.17 0.388 10 H 1 -0.4181 0.0651 0.9061 0.4002 0.9086 0.1194 0.8155 -0.4125 0.406 -0.0012 -7.0E-4 0.002 -0.659 -0.387 1.045 -0.235 -0.138 0.373 -0.22 -0.129 0.349 11 H 1 -0.5108 0.1539 0.8458 0.3088 0.951 0.0134 0.8023 -0.2681 0.5333 -0.0029 -0.0018 0.0047 -1.573 -0.959 2.532 -0.561 -0.342 0.904 -0.525 -0.32 0.845 12 H 1 0.5184 0.6247 0.584 0.7405 0.0137 -0.6719 -0.4277 0.7808 -0.4555 -0.168 -0.1558 0.3238 -28.766 -26.682 55.447 -10.264 -9.521 19.785 -9.595 -8.9 18.495 13 B 11 0.8714 0.2462 -0.4243 0.1857 0.635 0.7499 -0.4541 0.7323 -0.5076 -0.1484 -0.1041 0.2525 -32.092 -22.506 54.597 -11.451 -8.031 19.482 -10.705 -7.507 18.212 14 P 31 0.108 0.1572 0.9816 0.992 0.0476 -0.1167 -0.0651 0.9864 -0.1508 -0.0378 -0.0299 0.0677 2.734 2.164 -4.898 0.975 0.772 -1.748 0.912 0.722 -1.634 15 O 17 -0.0485 0.9118 0.4076 0.7326 -0.2449 0.6351 0.6789 0.3295 -0.6561 -0.0852 -0.0804 0.1656 6.163 5.821 -11.984 2.199 2.077 -4.276 2.056 1.942 -3.997 16 O 17 0.9517 -0.0377 0.3046 0.0925 0.9816 -0.1673 -0.2927 0.1874 0.9377 -0.0428 -0.035 0.0778 3.095 2.534 -5.629 1.104 0.904 -2.009 1.032 0.845 -1.878 17 O 17 -0.3937 0.9189 0.0238 0.1499 0.0386 0.988 0.907 0.3925 -0.1529 -0.0037 -0.0031 0.0068 -0.492 -0.418 0.91 -0.176 -0.149 0.325 -0.164 -0.14 0.304 18 C 13 -0.1665 0.9502 0.2634 0.9805 0.1313 0.1463 -0.1045 -0.2827 0.9535 -0.0043 -0.0013 0.0056 -0.573 -0.174 0.748 -0.205 -0.062 0.267 -0.191 -0.058 0.249 19 C 13 0.4642 -0.1518 0.8726 0.6332 0.7458 -0.2071 -0.6194 0.6487 0.4423 -0.0044 -0.0038 0.0082 -0.595 -0.507 1.103 -0.212 -0.181 0.394 -0.199 -0.169 0.368 20 C 13 -0.3539 0.5957 0.721 -0.1403 0.7284 -0.6707 0.9247 0.3385 0.1742 -0.0017 -0.0014 0.0031 -0.884 -0.751 1.636 -0.316 -0.268 0.584 -0.295 -0.251 0.546 21 H 1 -0.3208 0.6163 0.7192 0.4937 -0.5393 0.6823 0.8083 0.5739 -0.1313 -0.0019 -0.0014 0.0033 -1.016 -0.735 1.751 -0.363 -0.262 0.625 -0.339 -0.245 0.584 22 H 1 0.1114 0.6681 0.7357 -0.2849 0.7307 -0.6204 0.9521 0.1405 -0.2718 -0.0018 -0.0017 0.0035 -0.958 -0.91 1.868 -0.342 -0.325 0.667 -0.32 -0.304 0.623 23 H 1 -0.6658 0.738 -0.1097 0.7269 0.6748 0.1277 -0.1683 -0.0053 0.9857 -0.0024 -0.0016 0.004 -1.261 -0.855 2.116 -0.45 -0.305 0.755 -0.42 -0.285 0.706 24 H 1 -0.1884 0.8533 0.4862 0.9813 0.1438 0.1279 -0.0392 -0.5012 0.8644 -0.0021 -0.0015 0.0036 -1.137 -0.802 1.939 -0.406 -0.286 0.692 -0.379 -0.268 0.647 25 H 1 -0.501 0.7991 0.3322 0.8474 0.531 9.0E-4 0.1757 -0.2819 0.9432 -0.0046 -0.0032 0.0078 -2.47 -1.701 4.171 -0.881 -0.607 1.488 -0.824 -0.567 1.391 26 H 1 0.6558 0.1085 0.7471 0.4932 0.6876 -0.5328 -0.5715 0.7179 0.3975 -0.002 -0.0017 0.0037 -1.053 -0.933 1.986 -0.376 -0.333 0.709 -0.351 -0.311 0.662 27 H 1 0.0681 -0.336 0.9394 0.9512 0.3058 0.0404 -0.3009 0.8908 0.3404 -0.005 -0.0032 0.0083 -2.691 -1.719 4.409 -0.96 -0.613 1.573 -0.897 -0.573 1.471 28 H 1 0.6002 0.7434 -0.2951 0.2037 0.2147 0.9552 0.7734 -0.6335 -0.0226 -0.0038 -0.003 0.0068 -2.017 -1.624 3.64 -0.72 -0.579 1.299 -0.673 -0.542 1.214 29 H 1 -0.3959 0.81 -0.4327 -0.1643 0.4011 0.9012 0.9035 0.4279 -0.0257 -0.0993 0.0483 0.051 -13.319 6.477 6.841 -4.752 2.311 2.441 -4.443 2.161 2.282 30 C 13 -0.3478 0.2988 0.8887 0.862 0.4748 0.1777 -0.3688 0.8278 -0.4227 -0.076 -0.0719 0.1479 -10.2 -9.653 19.853 -3.64 -3.445 7.084 -3.402 -3.22 6.622 31 C 13 -0.5164 0.1944 0.834 0.782 0.5039 0.3668 -0.3489 0.8416 -0.4122 -0.0769 -0.0716 0.1485 -10.32 -9.606 19.926 -3.682 -3.428 7.11 -3.442 -3.204 6.646 32 C 13 -0.3627 0.8349 -0.4141 -0.704 0.0457 0.7088 0.6107 0.5486 0.5711 -0.0752 0.0337 0.0414 -10.087 4.528 5.56 -3.599 1.616 1.984 -3.365 1.51 1.855 33 C 13 0.9226 0.3748 0.0911 -0.3045 0.8528 -0.4243 -0.2367 0.3637 0.9009 -0.0049 -0.0032 0.008 -2.606 -1.685 4.29 -0.93 -0.601 1.531 -0.869 -0.562 1.431 34 H 1 -0.3573 0.8346 -0.4192 -0.2411 0.3512 0.9047 0.9023 0.4244 0.0758 -0.0766 0.034 0.0425 -10.275 4.567 5.708 -3.666 1.63 2.037 -3.427 1.524 1.904 35 C 13 0.6505 -0.1006 0.7528 0.1232 0.992 0.0261 0.7495 -0.0758 -0.6577 -0.0039 -0.0037 0.0075 -2.057 -1.952 4.009 -0.734 -0.696 1.43 -0.686 -0.651 1.337 36 H 1 -0.4904 0.2069 0.8466 0.7933 0.5082 0.3354 -0.3608 0.836 -0.4133 -0.0849 -0.0755 0.1604 -11.388 -10.129 21.518 -4.064 -3.614 7.678 -3.799 -3.379 7.178 37 C 13 -0.4702 0.8251 -0.3131 -0.6799 -0.1125 0.7247 0.5627 0.5537 0.6139 -0.0025 -0.0022 0.0048 -1.357 -1.2 2.557 -0.484 -0.428 0.912 -0.453 -0.4 0.853 38 H 1 -0.317 0.7306 -0.6047 -0.2629 0.5449 0.7962 0.9113 0.4114 0.0193 -0.0026 -0.0024 0.0051 -1.41 -1.293 2.704 -0.503 -0.462 0.965 -0.47 -0.431 0.902 39 H 1 -0.4961 0.2026 0.8443 -0.3659 0.833 -0.4149 0.7874 0.5148 0.3391 -0.0117 -4.0E-4 0.0121 -6.227 -0.227 6.454 -2.222 -0.081 2.303 -2.077 -0.076 2.153 40 H 1 0.8945 0.4399 -0.0795 -0.4197 0.7653 -0.488 -0.1538 0.4699 0.8692 -0.0298 0.0016 0.0281 -15.886 0.88 15.006 -5.669 0.314 5.355 -5.299 0.294 5.005 41 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT11376.200S 2025-07-15T17:00:53.000 -77.35597 -19.29987 -19.29891 -19.29544 -14.41420 -10.36710 -10.36479 -10.36346 -10.30098 -10.29803 -10.29664 -10.29189 -10.29131 -10.29101 -10.28911 -10.28622 -10.27809 -6.81646 -6.79471 -4.94879 -4.94777 -4.94288 -1.19660 -1.14073 -1.13497 -0.99907 -0.93378 -0.85154 -0.82493 -0.82308 -0.80544 -0.79493 -0.78010 -0.77789 -0.70709 -0.67978 -0.67466 -0.66024 -0.62758 -0.62639 -0.62170 -0.59175 -0.56963 -0.56802 -0.55221 -0.54684 -0.54408 -0.54008 -0.53867 -0.53612 -0.53505 -0.52460 -0.51765 -0.49119 -0.47817 -0.46528 -0.46020 -0.45715 -0.44569 -0.44455 -0.44005 -0.43358 -0.42920 -0.42879 -0.42310 -0.41114 -0.40578 -0.40441 -0.39098 -0.38088 -0.33924 -0.32354 -0.27127 -0.21906 0.06612 0.07280 0.10223 0.12905 0.14004 0.15568 0.16010 0.16363 0.16563 0.17413 0.18331 0.19071 0.19705 0.19965 0.20140 0.20540 0.20890 0.21195 0.21568 0.22100 0.22437 0.23017 0.23101 0.23722 0.24194 0.24671 0.25113 0.25807 0.26063 0.26960 0.27281 0.28229 0.28982 0.30460 0.32085 0.33920 0.34393 0.35989 0.36636 0.37686 0.38840 0.40337 0.41260 0.44009 0.46398 0.47427 0.47943 0.49159 0.50590 0.51009 0.51089 0.52185 0.53036 0.53469 0.53896 0.54518 0.54941 0.55487 0.56270 0.56519 0.56952 0.58992 0.60061 0.62463 0.62794 0.63549 0.64751 0.65312 0.65708 0.65992 0.66915 0.68092 0.69131 0.69913 0.70547 0.71052 0.71616 0.71932 0.72222 0.72584 0.73086 0.73182 0.73641 0.74178 0.74591 0.74935 0.75082 0.75127 0.76039 0.76720 0.76906 0.77601 0.77921 0.78799 0.78931 0.79679 0.80249 0.81034 0.81717 0.82084 0.82703 0.83476 0.84101 0.84804 0.86265 0.86398 0.86635 0.87887 0.87933 0.88721 0.90103 0.93099 0.93859 0.94654 0.96006 0.97807 0.99021 0.99874 1.01726 1.02795 1.04591 1.04958 1.07023 1.07907 1.08518 1.11389 1.13465 1.13853 1.15657 1.16749 1.18430 1.19949 1.21365 1.22238 1.22701 1.24160 1.26356 1.27856 1.28825 1.29613 1.29732 1.32048 1.33715 1.35366 1.35901 1.37241 1.38503 1.39342 1.40533 1.41418 1.41869 1.42436 1.43732 1.45400 1.51438 1.54374 1.56858 1.56944 1.57851 1.58634 1.59276 1.60582 1.61194 1.62303 1.63386 1.63864 1.64291 1.64566 1.66732 1.66950 1.68705 1.71711 1.74691 1.76153 1.76293 1.77030 1.78315 1.79293 1.79746 1.81418 1.81505 1.82234 1.83918 1.84264 1.85466 1.85777 1.86190 1.86521 1.87229 1.87707 1.89065 1.90005 1.90518 1.91271 1.91966 1.92344 1.92749 1.93514 1.93993 1.94153 1.95166 1.95625 1.96164 1.97674 1.98093 1.98378 1.99822 2.00485 2.01897 2.03533 2.04264 2.04683 2.05961 2.07767 2.09136 2.10087 2.10337 2.11319 2.11641 2.12555 2.13056 2.18865 2.21307 2.24805 2.25338 2.25591 2.26082 2.27506 2.29381 2.30599 2.34706 2.35465 2.38738 2.38907 2.39278 2.39922 2.40285 2.41158 2.42086 2.43125 2.43689 2.44340 2.44551 2.45722 2.46839 2.47702 2.52597 2.53204 2.54075 2.58022 2.63715 2.64212 2.68017 2.71122 2.72341 2.72942 2.73818 2.74006 2.74493 2.74655 2.75000 2.75620 2.76222 2.77920 2.81333 2.81542 2.82112 2.82934 2.83955 2.84583 2.86110 2.90301 2.91291 2.92724 2.97426 2.97971 2.98476 2.99321 2.99883 3.00702 3.01126 3.02226 3.02965 3.05405 3.06901 3.07678 3.08479 3.11064 3.14773 3.16916 3.22486 3.24477 3.25015 3.27461 3.27534 3.30443 3.33512 3.34885 3.38803 3.42113 3.47065 3.70995 -77.35581 -19.29941 -19.29854 -19.29428 -14.41415 -10.36707 -10.36470 -10.36346 -10.30081 -10.29804 -10.29662 -10.29275 -10.29015 -10.28963 -10.28918 -10.28451 -10.27979 -6.81193 -6.79458 -4.94870 -4.94682 -4.94296 -1.19483 -1.13964 -1.13275 -0.99895 -0.93206 -0.84962 -0.82305 -0.82104 -0.80491 -0.79418 -0.77981 -0.77781 -0.69993 -0.67778 -0.67327 -0.65998 -0.62566 -0.62087 -0.61855 -0.59015 -0.56837 -0.56713 -0.54948 -0.54340 -0.54126 -0.53985 -0.53826 -0.53556 -0.53466 -0.52355 -0.51600 -0.49068 -0.47566 -0.46396 -0.45855 -0.45644 -0.44215 -0.44007 -0.43826 -0.43343 -0.42901 -0.42868 -0.42164 -0.41010 -0.40357 -0.40222 -0.38839 -0.37565 -0.32319 -0.31776 -0.27040 -0.00267 0.07167 0.08667 0.10488 0.12973 0.14059 0.15766 0.16117 0.16449 0.17130 0.18057 0.18404 0.19253 0.19737 0.19998 0.20268 0.20553 0.20951 0.21520 0.21695 0.22306 0.22467 0.23094 0.23224 0.24025 0.24243 0.24792 0.25260 0.25997 0.26226 0.27222 0.27472 0.28875 0.29191 0.30674 0.32281 0.33929 0.34508 0.36626 0.37283 0.37703 0.38911 0.40399 0.41395 0.44387 0.46613 0.47442 0.47980 0.49235 0.50607 0.51139 0.51373 0.52389 0.53312 0.53553 0.54025 0.54673 0.55068 0.55753 0.56311 0.56568 0.57046 0.59162 0.60479 0.62567 0.63036 0.63722 0.64889 0.65423 0.65651 0.66143 0.67311 0.68139 0.69268 0.70108 0.70728 0.71129 0.71623 0.71967 0.72314 0.72786 0.73129 0.73234 0.73672 0.74204 0.74721 0.74946 0.75134 0.75153 0.76115 0.76780 0.76979 0.77718 0.78030 0.78878 0.79000 0.79735 0.80282 0.81205 0.81770 0.82132 0.82813 0.83562 0.84273 0.84986 0.86389 0.86461 0.86669 0.88020 0.88196 0.88809 0.90401 0.93272 0.94387 0.94729 0.96085 0.97891 0.99145 0.99990 1.01759 1.03004 1.04930 1.05010 1.07088 1.08121 1.09202 1.11493 1.13565 1.14298 1.16564 1.16913 1.18570 1.20159 1.21664 1.22412 1.23019 1.24676 1.26572 1.27966 1.29009 1.29867 1.29924 1.32234 1.34146 1.35471 1.36261 1.37277 1.38905 1.39703 1.40633 1.41536 1.42036 1.42556 1.43781 1.45839 1.52645 1.55246 1.56929 1.57501 1.58064 1.58651 1.59359 1.60733 1.61243 1.62548 1.63434 1.64105 1.64382 1.64601 1.66818 1.67054 1.68856 1.72139 1.74783 1.76208 1.76351 1.77089 1.78470 1.79384 1.79780 1.81516 1.81683 1.82402 1.83949 1.84310 1.85558 1.85965 1.86280 1.86642 1.87423 1.87805 1.89097 1.90023 1.90663 1.91673 1.92008 1.92378 1.92756 1.93524 1.94039 1.94208 1.95176 1.95656 1.96222 1.97700 1.98145 1.98388 1.99961 2.00620 2.02083 2.03598 2.04439 2.04762 2.06401 2.07871 2.09249 2.10182 2.10428 2.11393 2.11683 2.12653 2.13187 2.19022 2.21302 2.24832 2.25430 2.25621 2.26101 2.27553 2.29393 2.30652 2.34766 2.35506 2.38865 2.38963 2.39342 2.39952 2.40351 2.41394 2.42119 2.43379 2.43811 2.44388 2.44673 2.45769 2.46881 2.47714 2.52634 2.53216 2.54081 2.58052 2.63973 2.64544 2.68130 2.71261 2.72388 2.72966 2.73891 2.74179 2.74550 2.74716 2.75137 2.75720 2.76264 2.78019 2.81392 2.81577 2.82200 2.82972 2.84014 2.84655 2.86170 2.90345 2.91359 2.92800 2.97492 2.98037 2.98547 2.99360 2.99931 3.00766 3.01165 3.02284 3.02984 3.05444 3.06938 3.07756 3.08544 3.11117 3.14891 3.17046 3.22566 3.24491 3.25028 3.27475 3.27542 3.30590 3.33609 3.34985 3.38888 3.42213 3.47170 3.71070 2-A. -1.49648462e+00 3.61391320e-01 7.61827164e-01 2.26682685e+02 3.07023923e+01 1.73532590e+02 -3.37330299e+00 1.36748717e+01 1.62849712e+02 -4.4663 -0.0014 0.0012 0.0016 0.4274 3.3261 20.3861 34.5796 42.0425 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 20.3660 34.5780 42.0267 46.2759 59.9123 66.3444 74.3120 78.2163 83.5778 97.2724 103.9075 113.0294 117.6633 143.9439 162.3332 176.9348 194.9909 210.2137 233.0021 250.7672 259.8720 272.0756 292.3584 303.9512 316.3910 338.3872 384.3450 421.5140 434.3561 435.0865 444.6174 466.2311 513.1422 550.3872 574.2100 633.2855 678.1504 725.4039 774.3396 796.9314 809.5190 846.8638 858.8476 872.9887 880.1677 945.3444 1005.6197 1018.0495 1018.5902 1030.7954 1064.5033 1076.6128 1090.8183 1092.5165 1113.9393 1123.5389 1124.3532 1125.8521 1141.3143 1150.2518 1173.5853 1181.4314 1183.1896 1187.9789 1204.2933 1204.8408 1209.4444 1211.8799 1213.5870 1235.3681 1321.8651 1343.2232 1346.7820 1362.2995 1435.4279 1436.3728 1459.4432 1461.3801 1468.3538 1472.0710 1473.1416 1474.1405 1475.9260 1478.3850 1478.7192 1480.0769 1481.2719 1486.0115 1488.5431 1489.1830 1491.4542 1501.3698 1507.0121 1522.0062 1635.7174 1663.1029 2618.6054 2945.1302 2968.4025 2980.6958 3048.8492 3049.7109 3058.5093 3077.4269 3083.0706 3085.7120 3130.1019 3132.1880 3136.6710 3149.8440 3150.9400 3162.3599 3182.7610 3183.4597 3184.1951 3193.4787 3193.5088 3202.7670 3210.1114 3222.3558 4.3449 3.8928 2.9155 4.0196 2.7326 2.2958 1.8475 1.9505 3.3783 2.8528 2.3569 2.3173 1.5057 2.1263 3.5049 3.6238 3.1842 1.3079 2.8761 1.0742 4.6384 1.1400 4.1960 1.2872 2.4014 2.2541 5.8867 2.8930 2.0435 2.0471 6.1362 2.0000 6.6640 2.0152 6.1876 6.2441 5.0439 1.5410 2.1358 5.6204 6.9848 2.5107 5.2988 3.5574 1.2566 1.3800 3.5322 1.3889 2.6200 1.3128 1.9760 1.2113 1.6689 1.6919 1.5454 1.4956 4.0776 1.3506 6.4624 4.1566 1.1009 1.2775 1.2924 1.2811 1.2707 1.3687 1.4521 1.5697 1.6454 3.4835 2.0783 2.9119 2.8747 2.2945 1.2052 1.2037 1.0406 1.0443 1.0934 1.1575 1.1251 2.1461 1.1000 1.0439 1.0587 1.0746 1.0590 1.0664 1.0513 1.0494 1.1397 1.0764 1.0723 2.2093 5.2785 5.6923 1.0956 1.0540 1.0497 1.0501 1.0320 1.0322 1.0321 1.0797 1.0869 1.0844 1.1052 1.1045 1.1051 1.1083 1.1085 1.1075 1.0942 1.1071 1.0994 1.1065 1.0886 1.0924 1.0960 1.1004 0.0011 0.0027 0.0030 0.0051 0.0058 0.0060 0.0060 0.0070 0.0139 0.0159 0.0150 0.0174 0.0123 0.0260 0.0544 0.0668 0.0713 0.0341 0.0920 0.0398 0.1846 0.0497 0.2113 0.0701 0.1416 0.1521 0.5123 0.3029 0.2271 0.2283 0.7147 0.2561 1.0339 0.3597 1.2020 1.4754 1.3667 0.4778 0.7545 2.1031 2.6969 1.0609 2.3028 1.5973 0.5736 0.7266 2.1046 0.8481 1.6016 0.8219 1.3193 0.8272 1.1700 1.1898 1.1299 1.1124 3.0371 1.0087 4.9597 3.2403 0.8933 1.0505 1.0660 1.0653 1.0858 1.1707 1.2514 1.3583 1.4278 3.1322 2.1396 3.0954 3.0721 2.5089 1.4631 1.4632 1.3059 1.3140 1.3889 1.4779 1.4385 2.7477 1.4117 1.3443 1.3639 1.3870 1.3691 1.3875 1.3725 1.3711 1.4936 1.4296 1.4348 3.0153 8.3211 9.2763 4.4262 5.3866 5.4496 5.4970 5.6519 5.6565 5.6887 6.0244 6.0869 6.0834 6.3798 6.3844 6.4062 6.4784 6.4845 6.5258 6.5306 6.6105 6.5677 6.6487 6.5414 6.6024 6.6544 6.7322 0.0806 0.0461 0.6100 0.7506 0.1846 0.0928 0.1855 2.1898 0.7052 1.8811 0.8166 3.8209 0.5152 2.6639 2.3370 1.6747 6.2457 3.7343 1.9082 0.1799 1.4086 0.7195 8.0868 4.2962 17.1932 14.0681 23.5629 3.1584 0.0604 0.1441 5.9554 8.2683 54.3189 3.2985 0.8621 0.1381 10.0426 29.5118 17.6362 74.7588 139.4372 196.5854 150.0782 20.8242 2.1870 4.0942 8.8018 0.2024 4.4756 0.2759 11.1382 0.0130 7.9837 11.7846 5.1417 44.5567 271.1185 22.1502 419.1179 174.4782 0.2509 1.1471 3.7551 0.9631 17.7359 25.4082 46.4743 35.5333 64.5549 5.4756 2.6744 15.5738 13.1845 0.6830 1.2738 1.1033 7.6526 8.8556 23.0394 0.3100 2.1709 8.8780 5.1104 1.2001 2.8154 2.8293 2.8147 10.5064 9.8942 11.5396 9.5419 9.0469 12.2656 23.9556 0.8957 15.9363 61.8054 56.7117 48.7119 64.7758 32.8475 28.5979 53.8912 49.9387 39.3572 52.9041 11.3947 30.3559 25.5787 9.3697 11.0054 13.9803 13.0800 12.4684 4.6951 8.6181 4.0573 4.6449 27.3624 17.3202 0.12 0.08 0.08 0.23 0.08 0.11 0.23 0.09 0.19 0.28 0.08 0.10 0.11 0.09 -0.03 0.16 0.09 -0.05 0.03 0.08 -0.06 0.14 0.09 -0.09 0.04 0.08 0.10 -0.04 0.08 0.08 0.05 0.08 0.19 0.06 0.08 0.06 -0.07 -0.00 -0.04 -0.05 0.01 -0.01 -0.09 0.08 -0.01 -0.06 -0.03 -0.05 0.00 -0.00 0.05 -0.10 0.11 0.00 -0.05 -0.08 -0.05 0.02 0.02 0.10 -0.13 0.16 0.02 -0.13 0.09 -0.03 -0.06 0.10 0.04 -0.05 -0.10 -0.02 -0.05 -0.10 -0.09 -0.05 -0.07 -0.05 0.06 0.01 0.13 0.02 0.00 0.08 -0.01 0.07 0.11 -0.04 -0.04 -0.04 -0.05 -0.04 -0.07 0.01 -0.08 -0.02 -0.02 -0.09 -0.07 -0.09 -0.01 -0.09 0.04 -0.13 -0.02 0.03 -0.08 0.00 0.02 -0.13 -0.05 -0.04 -0.09 -0.09 0.08 -0.16 -0.00 0.05 -0.17 -0.05 -0.09 0.01 -0.05 0.26 0.08 0.06 -0.07 -0.07 0.05 0.06 -0.01 0.10 0.08 -0.04 0.21 0.10 0.03 0.04 -0.09 -0.06 -0.10 -0.04 -0.02 -0.17 -0.18 -0.12 -0.14 -0.05 -0.03 -0.12 -0.15 -0.12 0.12 -0.27 -0.15 0.08 -0.14 -0.14 0.25 -0.10 -0.09 0.09 0.05 -0.04 0.04 0.03 -0.02 0.02 0.02 0.03 -0.01 -0.01 -0.06 -0.01 0.07 -0.03 0.05 0.00 0.06 -0.03 -0.02 -0.10 -0.00 0.08 -0.01 0.07 0.01 0.11 -0.04 -0.03 0.04 -0.06 0.02 0.05 -0.01 -0.02 -0.14 0.03 -0.01 -0.13 -0.05 -0.02 -0.08 0.01 0.07 -0.03 0.08 0.08 -0.01 0.09 0.09 0.00 0.06 0.03 0.00 -0.00 -0.01 0.07 -0.05 0.04 0.01 -0.00 -0.05 0.16 -0.11 -0.02 0.07 -0.05 0.01 0.09 -0.06 0.08 -0.06 0.04 -0.04 0.18 -0.12 -0.08 0.22 -0.15 0.02 0.10 -0.06 -0.06 0.25 -0.16 0.05 -0.06 0.05 0.13 0.03 0.09 0.04 0.02 0.02 -0.16 0.02 -0.03 -0.19 0.12 -0.17 -0.16 -0.01 0.01 0.08 -0.09 0.20 0.08 -0.13 0.26 0.23 -0.06 0.25 -0.02 -0.17 0.25 0.06 0.07 -0.03 0.23 0.07 0.00 0.04 0.17 -0.18 -0.05 0.01 0.02 0.02 -0.03 0.01 0.01 -0.02 -0.01 0.00 0.05 -0.04 -0.04 -0.06 -0.04 0.04 -0.03 0.03 -0.03 0.09 -0.08 -0.10 -0.08 0.00 0.07 -0.01 0.06 -0.02 0.15 -0.09 -0.09 0.07 -0.10 -0.01 0.09 -0.06 -0.14 -0.10 0.01 -0.11 -0.10 -0.03 -0.09 -0.06 0.06 0.06 -0.02 0.07 0.08 -0.01 0.10 0.09 0.03 0.05 0.02 -0.02 0.00 -0.01 0.03 -0.02 0.03 -0.04 0.01 -0.02 0.06 -0.04 -0.01 0.04 -0.03 0.01 -0.01 -0.00 0.05 -0.08 0.04 -0.01 0.05 -0.03 -0.04 0.10 -0.06 0.02 -0.02 0.00 -0.02 0.07 -0.05 0.02 -0.03 0.01 -0.30 -0.04 0.02 0.12 -0.07 -0.06 0.12 -0.08 -0.06 0.13 -0.09 -0.06 0.12 -0.08 -0.06 0.12 -0.07 -0.06 0.11 -0.06 -0.07 0.12 -0.08 -0.06 0.12 -0.06 -0.05 0.12 -0.07 -0.07 0.12 -0.07 -0.06 0.11 -0.06 -0.07 0.10 -0.08 -0.06 0.02 -0.11 0.08 -0.03 -0.01 0.03 -0.03 0.01 0.03 -0.10 0.05 0.08 -0.00 0.06 -0.06 -0.10 0.17 0.02 -0.01 -0.01 0.02 0.05 0.02 -0.15 -0.08 0.16 0.01 -0.21 0.19 0.12 -0.06 0.27 -0.05 0.09 0.00 0.05 -0.03 -0.01 0.02 -0.02 -0.07 -0.06 -0.06 0.05 -0.26 0.07 0.03 -0.05 0.17 -0.05 -0.23 -0.01 -0.06 0.06 -0.00 -0.05 0.07 -0.05 -0.00 0.03 -0.04 0.03 0.04 0.03 -0.09 0.09 -0.09 0.07 0.01 -0.05 -0.01 0.03 -0.09 0.09 0.01 -0.04 0.04 0.05 -0.12 0.12 -0.02 -0.12 0.16 -0.01 0.06 -0.17 0.12 0.13 -0.08 -0.07 -0.02 0.08 -0.05 -0.06 0.22 -0.02 -0.08 0.29 -0.00 -0.00 0.26 -0.09 -0.00 0.01 -0.07 0.02 0.07 -0.15 0.03 -0.11 -0.09 -0.04 0.01 0.03 -0.05 -0.01 0.05 -0.02 -0.12 0.03 -0.06 0.04 0.06 -0.09 -0.01 0.16 0.02 -0.06 0.02 0.01 -0.03 0.02 0.02 -0.06 0.02 -0.03 0.03 0.06 0.01 0.02 -0.05 0.01 -0.02 0.02 -0.06 0.04 0.08 0.09 0.00 -0.11 0.03 -0.06 0.01 -0.01 0.01 0.08 -0.01 0.03 -0.03 -0.01 0.11 0.01 -0.15 0.09 0.14 -0.04 -0.06 0.10 -0.16 -0.02 -0.26 0.14 0.06 0.17 0.36 -0.05 -0.28 0.01 -0.04 0.01 -0.02 0.02 -0.03 0.04 -0.09 0.03 -0.02 0.02 -0.03 -0.04 0.06 -0.05 0.04 -0.09 0.03 0.06 -0.13 0.06 0.01 -0.04 -0.00 -0.04 0.07 -0.06 0.06 -0.14 0.05 0.02 -0.04 -0.01 0.01 -0.05 0.02 -0.12 0.21 0.05 -0.02 -0.01 0.00 0.03 -0.13 -0.01 0.09 -0.32 -0.03 -0.13 -0.13 0.02 -0.08 0.18 0.02 -0.20 0.16 0.07 -0.13 0.27 0.04 0.03 0.26 -0.02 0.12 -0.00 -0.05 0.09 0.07 -0.03 0.15 -0.14 -0.07 0.23 0.05 -0.09 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.02 -0.01 -0.02 -0.03 -0.01 0.00 -0.01 -0.01 -0.00 0.02 -0.05 -0.04 -0.09 0.02 0.05 0.05 0.01 0.02 0.04 -0.06 -0.06 0.04 -0.05 -0.05 -0.01 -0.07 -0.05 -0.11 0.05 -0.00 -0.14 0.04 0.08 -0.07 -0.01 0.10 -0.16 -0.05 -0.07 0.08 0.08 0.26 0.26 0.01 -0.12 -0.00 -0.00 0.01 -0.03 0.05 -0.02 0.03 -0.06 0.04 -0.03 0.07 -0.04 -0.05 0.09 -0.04 0.03 -0.05 0.03 0.05 -0.10 0.07 -0.00 0.02 -0.01 -0.06 0.12 -0.07 0.05 -0.09 0.05 -0.01 0.03 -0.02 -0.01 0.01 0.00 0.18 -0.04 -0.04 0.03 -0.00 -0.03 0.02 0.03 -0.02 0.02 0.04 -0.02 0.02 0.04 -0.04 0.03 -0.01 -0.03 0.02 0.02 -0.06 0.04 -0.04 -0.04 0.02 0.01 0.01 0.03 -0.03 -0.00 0.04 -0.06 -0.01 0.02 -0.01 -0.01 0.01 -0.03 0.03 0.01 -0.03 0.06 -0.03 0.02 0.02 -0.00 0.02 -0.01 -0.08 0.03 0.03 -0.01 0.04 -0.00 0.04 -0.14 -0.07 -0.10 0.01 0.04 0.04 0.05 0.02 0.07 -0.15 -0.09 0.14 -0.15 -0.13 -0.04 -0.23 -0.03 -0.08 0.04 0.02 -0.14 0.03 0.05 -0.09 -0.03 0.05 0.48 0.18 0.20 0.03 -0.18 -0.39 -0.34 0.16 0.26 0.01 -0.02 0.03 -0.00 -0.03 0.01 0.02 0.01 0.02 0.00 -0.01 -0.02 -0.01 -0.06 0.02 0.03 0.03 -0.02 0.03 0.01 0.03 0.01 0.02 -0.04 -0.01 -0.02 -0.04 0.04 0.05 -0.03 0.01 0.03 -0.06 0.01 -0.06 0.07 0.01 0.03 -0.00 -0.05 0.05 -0.01 -0.03 0.03 -0.01 -0.01 -0.03 -0.01 -0.08 0.04 -0.01 -0.07 0.12 -0.01 -0.11 0.12 -0.01 -0.09 0.14 -0.01 -0.03 0.15 -0.02 0.02 0.03 -0.00 0.01 0.03 -0.01 0.03 -0.03 -0.01 0.07 0.06 0.01 0.03 -0.05 -0.02 0.03 -0.05 -0.01 0.01 -0.05 0.01 0.04 -0.04 -0.00 0.05 -0.04 -0.02 -0.05 0.12 0.04 -0.00 0.01 0.03 0.03 -0.04 -0.02 -0.05 0.13 0.05 -0.16 0.14 0.12 0.02 0.23 -0.02 -0.04 0.03 -0.01 -0.01 0.03 0.05 0.01 0.01 0.06 0.45 0.08 0.15 0.00 -0.23 -0.45 -0.35 0.02 0.23 0.01 -0.03 -0.01 0.02 -0.01 0.01 -0.02 -0.03 -0.01 -0.00 0.01 0.03 0.04 -0.00 0.01 -0.04 -0.01 0.01 -0.03 -0.04 -0.02 -0.03 0.01 0.03 0.01 0.03 0.04 -0.07 -0.01 0.01 -0.05 0.02 0.04 0.04 -0.04 -0.02 0.02 0.06 -0.01 0.03 -0.08 0.04 0.01 -0.06 0.04 0.01 -0.06 0.02 -0.01 -0.04 0.02 0.04 -0.11 0.05 0.06 -0.12 0.06 0.06 -0.10 0.05 0.02 -0.13 0.04 0.01 -0.06 0.03 0.01 -0.05 0.03 0.01 -0.05 0.03 0.01 -0.07 0.00 -0.03 0.04 -0.09 -0.01 0.03 -0.05 -0.04 -0.01 0.02 0.05 0.06 -0.02 0.03 0.05 -0.05 0.01 -0.06 0.10 0.07 0.07 -0.04 0.10 0.07 -0.02 -0.05 -0.08 0.15 0.08 -0.05 0.08 0.03 -0.08 0.14 0.15 0.15 -0.10 -0.01 0.12 0.03 0.08 -0.05 -0.07 0.34 0.14 0.08 0.11 -0.08 -0.22 -0.10 0.16 0.10 -0.04 0.02 -0.04 -0.06 0.14 -0.06 -0.03 -0.11 0.02 -0.08 0.13 -0.01 -0.07 0.24 -0.11 -0.04 -0.13 0.08 -0.02 -0.19 0.03 -0.07 -0.01 0.06 -0.10 0.24 -0.02 -0.04 -0.24 0.13 -0.08 -0.02 0.10 -0.05 0.11 -0.14 0.00 -0.04 0.07 -0.04 0.07 0.00 0.00 -0.03 -0.01 -0.00 0.00 0.01 0.07 -0.10 0.06 -0.03 0.04 -0.01 0.02 -0.02 0.05 -0.06 0.12 0.00 -0.04 -0.01 -0.10 -0.09 0.14 -0.06 -0.10 0.20 -0.05 -0.10 0.17 -0.06 -0.11 0.11 -0.13 0.02 -0.07 -0.01 0.01 -0.00 -0.01 -0.05 0.06 0.03 -0.03 -0.01 -0.01 0.11 0.04 0.00 0.04 -0.10 0.08 0.01 -0.09 -0.04 0.18 0.04 -0.02 -0.09 0.08 0.15 0.14 -0.21 -0.18 0.12 -0.30 0.31 0.02 -0.15 0.04 0.06 -0.14 -0.12 -0.00 -0.04 -0.07 0.08 0.04 -0.08 0.20 0.05 0.11 0.29 0.04 -0.09 -0.00 -0.04 -0.01 0.02 -0.05 0.03 -0.05 -0.01 -0.02 -0.00 -0.03 0.05 0.07 -0.09 0.05 -0.08 0.02 -0.01 -0.06 -0.02 -0.04 -0.06 0.01 0.03 0.02 -0.04 0.09 -0.12 0.05 -0.02 -0.08 0.04 0.04 0.05 -0.12 0.02 -0.01 -0.09 -0.12 -0.02 0.03 0.01 0.06 -0.10 -0.00 0.04 -0.05 0.03 0.15 -0.19 0.09 0.01 -0.05 -0.02 0.10 -0.12 0.05 -0.02 0.03 -0.01 -0.03 -0.12 -0.13 -0.15 0.16 -0.09 -0.17 0.26 -0.07 -0.16 0.24 -0.07 -0.21 0.09 -0.23 0.01 0.01 0.05 -0.00 -0.01 0.03 0.05 -0.05 -0.00 -0.02 0.01 0.05 -0.04 -0.00 -0.01 -0.01 0.03 -0.06 0.02 -0.02 0.02 -0.00 -0.01 -0.03 0.12 -0.20 -0.14 -0.05 0.14 0.20 -0.14 0.20 -0.29 0.07 -0.01 0.04 0.01 -0.02 0.02 0.01 -0.05 -0.01 0.11 0.05 -0.00 0.01 -0.09 -0.13 -0.09 0.02 0.03 -0.00 0.03 0.02 -0.03 0.06 -0.02 0.04 -0.01 0.04 -0.01 0.03 -0.03 -0.07 0.09 -0.03 0.07 -0.05 0.04 0.06 -0.03 0.07 0.04 -0.03 0.00 -0.03 0.05 -0.06 0.11 -0.09 0.06 0.06 -0.06 -0.00 0.00 0.01 0.04 0.04 -0.18 -0.14 -0.03 0.02 0.02 -0.07 0.04 0.02 -0.05 -0.01 -0.02 -0.14 0.07 -0.01 -0.04 0.07 0.05 -0.07 0.05 0.08 -0.04 0.11 0.06 -0.02 0.07 0.02 0.06 -0.03 0.04 0.06 -0.04 0.04 0.08 -0.11 0.03 0.13 0.02 0.08 -0.00 -0.02 0.05 -0.02 0.02 0.02 -0.01 0.02 0.00 -0.04 0.02 0.02 -0.02 0.04 -0.02 -0.00 -0.03 -0.03 0.17 -0.16 -0.11 -0.01 0.01 -0.09 0.07 -0.19 -0.08 0.04 0.03 0.09 -0.12 0.02 -0.15 0.19 -0.34 0.15 0.38 -0.29 -0.31 0.09 0.03 -0.27 0.06 0.07 -0.11 -0.00 -0.04 -0.17 -0.06 -0.02 -0.06 -0.00 -0.01 0.03 -0.02 0.01 0.00 0.03 -0.02 0.04 -0.02 0.01 -0.02 -0.05 0.02 -0.01 0.04 -0.02 0.02 0.04 -0.02 0.05 0.02 -0.00 -0.02 -0.03 0.03 -0.05 0.06 -0.03 0.02 0.02 -0.00 -0.03 0.00 -0.03 0.05 -0.04 0.09 0.07 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.01 -0.03 0.00 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.02 0.02 0.00 0.02 0.01 0.00 0.01 0.00 0.03 0.01 -0.02 0.00 0.01 0.00 0.01 -0.01 0.02 0.02 0.03 -0.03 -0.04 0.02 -0.11 -0.05 -0.11 -0.17 0.47 0.12 -0.04 -0.19 -0.40 0.26 -0.22 0.40 -0.03 -0.05 0.04 -0.04 -0.05 -0.01 -0.03 -0.03 0.03 -0.07 -0.00 -0.12 -0.15 -0.03 -0.24 -0.19 -0.16 -0.04 0.01 0.02 0.01 -0.01 0.04 -0.02 0.03 -0.01 0.02 0.00 0.03 -0.02 -0.03 0.07 -0.03 0.05 -0.03 0.02 0.04 -0.01 0.03 0.03 -0.01 0.00 -0.01 0.05 -0.04 0.07 -0.06 0.04 0.05 -0.03 0.00 0.02 -0.00 0.02 0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.01 0.02 -0.01 0.02 0.01 -0.01 -0.01 -0.02 -0.00 0.01 0.00 -0.02 0.02 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.00 -0.01 0.00 0.04 -0.03 -0.03 -0.00 0.03 -0.10 -0.03 0.01 0.01 0.03 -0.11 -0.04 -0.04 -0.04 0.03 -0.07 0.11 0.08 -0.05 0.10 0.04 0.08 -0.16 0.47 -0.03 -0.21 -0.16 -0.42 0.20 -0.12 0.21 0.18 0.13 -0.07 0.16 0.12 0.02 0.09 0.06 -0.16 0.15 0.03 0.12 0.17 -0.07 0.17 0.14 0.22 0.04 -0.01 -0.01 0.04 -0.02 -0.03 0.03 0.01 0.01 0.04 -0.01 -0.02 -0.01 -0.04 -0.05 0.03 0.02 0.02 0.00 0.03 0.01 0.06 0.01 0.01 -0.02 -0.02 -0.03 -0.03 0.04 0.04 -0.01 0.01 0.03 -0.05 -0.01 0.03 0.02 -0.02 -0.00 -0.00 0.02 -0.03 -0.00 0.01 -0.01 0.00 0.02 -0.04 -0.01 -0.03 0.01 -0.02 0.01 -0.01 0.00 -0.01 0.02 -0.03 0.03 -0.06 -0.01 0.02 0.01 0.05 0.01 -0.03 0.00 0.01 -0.03 0.00 0.01 -0.02 0.00 0.00 -0.03 -0.00 -0.02 0.11 0.01 -0.03 -0.03 -0.04 -0.05 -0.10 0.01 -0.02 -0.06 -0.07 -0.05 -0.03 -0.07 -0.03 -0.01 0.17 -0.12 -0.08 -0.00 0.14 0.00 -0.06 -0.11 -0.08 0.24 -0.03 0.04 0.27 0.06 0.09 0.13 -0.33 -0.24 0.10 0.04 -0.18 -0.16 -0.13 0.18 0.09 0.20 0.05 -0.07 0.20 -0.12 -0.02 0.16 0.09 -0.08 -0.04 0.14 0.04 -0.04 0.07 0.02 0.03 0.16 0.03 0.03 -0.02 0.01 -0.08 0.06 0.02 0.09 0.09 0.01 0.04 0.21 0.06 0.10 -0.02 0.01 0.03 -0.10 -0.01 0.14 0.10 0.01 0.15 -0.10 0.00 0.07 0.12 0.01 0.03 0.02 0.03 -0.02 0.03 0.00 -0.01 -0.00 -0.01 -0.02 0.05 0.00 0.05 -0.04 0.03 -0.01 0.02 -0.00 0.02 -0.03 0.05 -0.03 0.07 0.01 -0.02 -0.02 -0.07 -0.02 0.04 -0.00 0.01 0.03 -0.00 -0.02 0.06 -0.03 -0.03 0.03 0.02 0.06 -0.04 0.04 -0.04 0.01 -0.08 -0.09 0.01 -0.02 -0.01 -0.01 -0.10 -0.06 -0.02 -0.04 -0.01 -0.02 0.17 -0.01 0.04 -0.10 -0.11 0.01 0.03 -0.07 -0.21 0.25 0.12 0.07 0.32 0.01 0.06 0.11 0.13 0.20 -0.25 -0.19 0.15 0.06 0.02 -0.20 -0.11 -0.13 -0.05 0.07 -0.12 0.05 0.06 -0.11 0.04 0.03 0.09 -0.11 0.11 0.08 -0.09 0.08 0.12 -0.10 0.10 0.03 0.05 -0.01 0.08 -0.12 0.10 0.08 0.01 0.02 0.15 -0.14 0.14 0.02 0.13 -0.05 -0.01 0.10 -0.06 0.09 0.04 0.01 -0.02 0.26 -0.13 0.07 0.02 0.01 -0.04 -0.05 -0.06 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.02 -0.00 -0.04 0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.02 0.03 -0.02 0.03 0.01 -0.00 -0.01 -0.03 0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.02 0.01 0.03 0.01 -0.01 -0.02 0.00 0.05 -0.02 -0.05 -0.00 -0.10 0.11 0.00 0.02 -0.08 -0.03 0.15 -0.02 0.08 -0.07 -0.03 -0.08 0.06 0.13 -0.07 0.06 -0.11 -0.09 -0.00 -0.10 -0.12 0.01 -0.02 -0.08 -0.19 -0.09 -0.10 0.20 0.38 -0.32 -0.08 0.31 0.22 0.08 -0.11 -0.15 0.03 -0.05 -0.17 0.03 -0.09 -0.16 0.05 -0.28 -0.07 -0.06 0.05 0.08 -0.09 0.02 0.04 -0.00 0.08 0.07 -0.04 -0.03 -0.01 -0.15 0.01 0.04 0.05 0.04 0.02 0.02 0.13 0.11 0.04 -0.02 -0.01 -0.06 -0.07 -0.05 0.11 0.06 0.02 0.08 -0.07 -0.04 0.09 0.03 0.04 0.01 0.03 0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.04 0.01 0.06 -0.02 0.00 0.01 -0.01 -0.00 -0.02 0.06 -0.08 0.04 -0.11 -0.02 -0.00 0.03 0.10 -0.02 0.00 -0.01 -0.04 0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.00 -0.03 0.01 -0.04 0.01 -0.00 -0.01 -0.01 -0.02 0.02 -0.00 0.02 -0.00 -0.01 0.03 -0.00 0.01 -0.02 -0.01 -0.01 -0.01 0.12 0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.02 0.00 -0.00 -0.01 -0.03 -0.02 -0.01 -0.38 -0.18 0.19 0.45 -0.05 -0.21 -0.08 0.66 0.02 -0.03 -0.02 0.00 -0.02 0.02 0.00 -0.01 -0.03 0.01 0.01 -0.03 0.03 -0.01 -0.01 0.01 0.01 -0.03 0.03 -0.02 0.02 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.02 0.02 -0.03 0.03 -0.01 0.01 -0.00 -0.03 0.05 -0.03 0.02 -0.03 0.02 -0.01 0.03 -0.02 0.04 -0.05 0.02 -0.01 -0.04 -0.03 0.01 -0.00 0.00 -0.00 -0.02 -0.00 -0.06 0.20 0.02 0.21 -0.09 0.05 0.00 0.01 -0.01 -0.01 0.04 -0.04 -0.00 -0.02 -0.02 0.02 0.04 0.02 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.02 -0.01 0.02 -0.11 0.18 -0.08 0.00 0.04 0.02 0.02 0.03 0.02 0.15 -0.02 -0.04 -0.06 0.01 0.03 0.01 0.01 -0.04 -0.00 -0.06 0.08 0.06 -0.04 -0.10 0.04 0.04 -0.07 0.00 -0.01 -0.08 -0.02 -0.02 -0.03 -0.10 -0.09 0.07 -0.07 -0.08 0.02 0.03 -0.04 0.23 0.12 0.09 -0.18 0.11 -0.16 -0.14 0.07 -0.08 -0.10 -0.02 -0.05 0.06 -0.02 -0.11 0.05 0.01 -0.08 0.07 -0.04 -0.04 -0.01 -0.03 -0.16 0.07 -0.01 0.00 -0.00 0.03 -0.08 0.10 -0.06 0.07 -0.07 -0.05 -0.04 -0.03 0.00 0.05 -0.02 -0.10 0.18 -0.14 -0.24 0.44 -0.24 -0.15 -0.17 -0.09 -0.00 0.00 0.00 -0.03 -0.01 -0.01 -0.14 0.41 0.05 0.38 -0.14 0.08 -0.00 0.01 -0.00 -0.02 0.07 -0.07 0.00 -0.08 -0.02 -0.00 0.04 0.06 0.04 -0.01 0.00 -0.29 0.11 -0.04 0.11 -0.28 0.25 0.31 0.12 -0.17 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.03 0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.03 0.02 -0.02 -0.02 0.01 0.01 -0.00 -0.04 -0.03 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 0.01 0.02 -0.01 0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.02 0.02 0.01 -0.03 0.02 -0.32 -0.29 -0.14 0.00 -0.00 0.00 0.01 -0.00 0.00 0.02 -0.04 -0.01 -0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.03 0.00 0.01 0.00 -0.03 -0.01 -0.00 0.00 0.07 -0.03 0.01 -0.03 0.07 -0.06 -0.08 -0.03 0.04 -0.03 0.06 -0.05 -0.08 -0.03 0.05 -0.14 0.04 0.07 -0.04 -0.05 0.04 -0.11 -0.04 0.07 -0.15 -0.06 -0.05 0.01 0.04 0.00 0.07 -0.08 -0.05 -0.07 -0.04 -0.12 -0.14 -0.08 -0.10 -0.25 -0.13 -0.05 -0.00 0.04 -0.01 0.10 0.05 0.04 -0.01 0.08 -0.06 0.11 0.05 -0.15 0.13 -0.22 -0.05 0.11 -0.10 -0.08 0.14 -0.01 -0.15 0.22 0.06 -0.05 0.08 -0.04 -0.13 0.16 0.11 0.07 0.34 0.11 -0.06 0.01 -0.00 -0.02 0.05 -0.09 -0.19 0.06 0.09 0.08 0.20 0.16 0.14 -0.11 -0.05 -0.00 0.01 0.12 0.15 -0.22 0.11 -0.09 0.03 0.02 0.01 0.01 -0.00 0.00 0.00 -0.04 -0.01 -0.08 0.26 0.03 0.30 -0.15 0.08 -0.01 0.06 -0.02 -0.04 0.03 0.02 -0.07 0.13 -0.01 0.05 0.09 -0.09 0.00 -0.04 0.04 0.41 -0.23 0.08 -0.08 0.27 -0.27 -0.31 -0.16 0.33 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 0.01 0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.02 0.00 -0.01 0.00 0.01 -0.03 -0.02 -0.01 0.02 -0.02 0.03 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 -0.01 0.02 -0.01 -0.00 0.02 -0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.03 0.01 0.02 -0.02 0.01 -0.21 -0.26 -0.15 0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.05 -0.01 -0.07 0.03 -0.02 0.01 -0.01 -0.00 0.04 -0.06 0.06 -0.02 0.06 0.01 0.00 -0.04 -0.08 0.00 0.01 -0.00 -0.06 0.04 -0.01 0.01 -0.04 0.04 0.05 0.03 -0.05 -0.04 0.11 -0.13 -0.00 -0.04 -0.06 -0.06 -0.18 0.07 -0.04 0.10 0.07 0.24 0.07 -0.05 -0.17 -0.07 -0.08 -0.01 -0.05 0.05 -0.08 0.07 0.05 -0.08 0.07 -0.17 -0.34 -0.12 -0.13 -0.18 -0.07 -0.09 0.03 -0.11 0.15 -0.03 -0.11 -0.05 -0.01 -0.05 0.05 -0.19 -0.10 0.14 -0.18 0.32 0.03 -0.12 0.01 0.09 0.00 0.01 0.03 0.03 -0.03 0.05 0.05 -0.02 0.05 0.03 0.00 0.02 0.03 -0.05 0.06 0.05 0.02 0.01 0.06 -0.01 0.07 0.03 0.07 -0.02 0.02 -0.01 -0.00 0.05 0.03 0.01 0.01 0.13 -0.06 -0.00 0.31 -0.25 0.03 0.05 0.04 -0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.03 -0.06 0.02 0.01 -0.03 0.01 -0.01 0.02 0.04 -0.16 0.35 -0.36 0.16 -0.46 -0.07 -0.03 0.19 0.52 -0.02 0.02 -0.01 0.04 0.00 -0.00 -0.04 0.09 -0.06 -0.10 -0.03 0.00 0.02 -0.04 0.02 -0.01 0.01 -0.01 -0.03 -0.00 0.03 0.07 -0.00 -0.02 -0.01 0.02 -0.02 -0.05 -0.02 -0.02 0.03 -0.04 0.02 -0.01 0.03 0.00 -0.02 0.01 -0.05 -0.06 -0.03 -0.05 -0.08 -0.04 -0.02 0.08 0.01 -0.03 -0.10 -0.02 0.04 0.06 -0.15 0.07 -0.01 0.01 0.02 -0.01 0.04 0.01 -0.01 0.05 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.02 0.01 0.08 -0.13 0.08 0.06 -0.01 -0.03 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.03 0.07 -0.01 0.03 0.01 -0.00 0.00 -0.02 -0.03 0.12 -0.27 0.28 -0.12 0.36 0.05 0.02 -0.14 -0.40 0.02 -0.01 0.01 -0.03 -0.01 -0.00 0.03 -0.08 0.05 0.08 0.02 -0.00 0.06 -0.12 0.06 -0.01 0.03 -0.01 -0.06 0.01 0.07 0.19 -0.03 -0.06 -0.05 0.04 -0.05 -0.09 -0.03 -0.05 -0.00 -0.04 0.08 -0.02 0.07 -0.01 -0.03 0.02 -0.11 -0.12 -0.06 -0.10 -0.16 -0.08 -0.04 -0.13 -0.06 0.05 -0.10 -0.05 0.04 0.05 -0.02 0.27 -0.01 0.05 0.02 -0.01 0.06 0.02 -0.01 0.11 -0.02 -0.00 -0.00 0.01 -0.01 0.02 -0.01 -0.01 0.03 -0.01 -0.01 0.01 -0.01 -0.02 0.03 -0.01 0.01 0.00 0.00 -0.01 0.04 -0.00 0.02 -0.02 0.01 -0.01 0.02 -0.02 0.02 -0.00 0.01 0.04 -0.06 0.03 0.17 -0.31 0.18 -0.06 -0.01 0.01 -0.15 0.20 -0.07 0.07 -0.05 -0.05 0.12 -0.18 0.08 0.11 -0.17 0.09 -0.03 -0.09 0.03 0.15 -0.14 0.05 0.15 -0.17 0.05 -0.29 -0.32 0.10 0.07 -0.01 0.08 0.15 -0.20 0.04 0.10 -0.17 0.02 0.20 0.13 0.37 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.02 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 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -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 0.25 -0.07 -0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.02 0.00 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.05 -0.03 -0.09 0.05 -0.12 -0.07 -0.14 0.27 -0.09 0.01 0.15 0.19 -0.08 -0.15 -0.19 0.00 0.01 0.01 0.07 -0.05 0.20 -0.00 -0.06 0.06 -0.04 -0.14 0.06 0.26 0.04 -0.02 -0.08 -0.09 0.05 0.13 -0.12 0.32 0.02 -0.13 0.06 0.07 -0.07 0.19 0.04 -0.16 0.18 0.02 -0.06 0.14 -0.00 0.17 0.04 -0.01 -0.01 0.04 -0.04 0.05 0.01 0.01 0.02 0.03 0.00 -0.02 0.01 -0.08 0.09 -0.02 0.01 0.06 -0.02 0.01 0.03 0.05 0.03 -0.02 0.00 -0.00 -0.06 -0.01 0.00 0.12 -0.05 0.05 -0.05 0.00 0.01 0.34 -0.30 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.03 0.03 0.05 -0.00 -0.00 -0.01 -0.00 0.01 -0.02 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.03 -0.01 -0.00 -0.01 0.02 -0.05 0.03 -0.01 0.02 0.00 0.01 -0.03 0.01 0.01 -0.00 -0.02 0.01 0.02 0.02 -0.01 -0.00 -0.00 -0.01 0.01 -0.02 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 -0.03 -0.00 -0.02 0.02 0.01 -0.03 -0.01 0.03 -0.01 -0.01 0.02 -0.02 -0.01 0.00 -0.02 -0.02 -0.03 -0.00 0.02 -0.04 0.02 -0.08 0.18 -0.09 0.08 -0.17 0.08 0.06 -0.14 0.07 -0.18 0.42 -0.21 -0.07 0.17 -0.08 0.15 -0.33 0.16 0.01 -0.02 0.01 0.14 -0.31 0.16 -0.17 0.39 -0.19 0.02 -0.04 0.02 -0.10 0.15 -0.10 0.00 -0.01 -0.01 0.07 0.07 0.06 -0.13 -0.11 -0.04 -0.10 -0.27 -0.38 -0.44 -0.20 0.14 0.09 0.02 -0.13 0.23 0.12 -0.28 -0.08 -0.14 -0.22 0.11 0.04 -0.16 0.00 0.04 0.13 -0.09 -0.05 0.08 0.01 0.04 0.26 0.01 0.06 0.17 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.03 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.01 -0.01 0.01 -0.02 0.03 -0.02 -0.16 -0.12 -0.03 -0.06 -0.02 0.10 -0.04 0.02 0.13 -0.05 0.07 0.17 0.01 0.05 0.08 -0.06 -0.09 -0.12 0.14 0.00 -0.30 -0.22 -0.30 -0.22 -0.08 -0.12 -0.15 0.14 0.08 -0.07 0.43 0.25 0.05 0.15 0.01 -0.42 0.16 0.09 -0.07 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -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 0.01 -0.01 -0.06 0.02 0.16 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.02 -0.02 -0.01 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.00 0.07 -0.11 0.01 -0.06 0.12 -0.13 -0.01 -0.11 -0.08 0.04 0.32 -0.00 -0.00 -0.09 0.26 -0.04 -0.02 -0.00 -0.01 -0.03 0.04 0.08 -0.24 0.02 -0.09 0.00 0.03 -0.07 -0.01 0.03 0.05 0.04 -0.00 0.09 -0.13 0.23 -0.19 -0.15 -0.19 0.04 -0.13 0.15 0.08 -0.03 -0.18 0.11 -0.35 -0.03 0.13 -0.41 0.00 0.02 -0.05 0.04 -0.01 0.00 0.01 -0.02 0.05 -0.01 -0.02 0.04 -0.02 -0.02 0.02 0.00 0.00 0.02 -0.01 -0.03 0.09 -0.02 0.03 -0.05 0.02 -0.05 0.10 -0.06 0.00 0.04 -0.01 0.06 -0.10 0.05 0.10 -0.09 -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 0.01 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 0.03 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.02 0.02 -0.06 0.03 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.04 -0.02 0.01 0.03 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.01 0.04 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.02 0.01 -0.04 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.02 0.03 -0.00 -0.01 0.06 -0.00 -0.01 0.03 -0.01 0.07 -0.16 0.08 0.00 -0.00 0.00 -0.03 0.07 -0.04 -0.04 0.10 -0.05 -0.03 0.09 -0.04 -0.02 0.05 -0.03 -0.10 0.24 -0.12 0.05 -0.11 0.06 -0.12 0.27 -0.13 -0.07 0.17 -0.08 0.10 -0.22 0.11 -0.33 0.59 -0.37 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 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.20 0.04 -0.07 0.20 0.06 -0.00 0.01 0.03 0.36 -0.12 0.08 -0.07 -0.13 -0.10 -0.05 -0.10 -0.04 -0.01 -0.10 0.03 -0.17 0.01 -0.10 0.02 0.18 0.07 -0.25 -0.24 -0.11 -0.12 -0.36 -0.16 -0.06 -0.04 0.02 -0.12 -0.03 0.03 -0.16 -0.11 0.04 -0.22 0.07 -0.06 0.03 0.06 -0.17 0.06 0.03 0.01 -0.00 0.05 0.04 0.05 -0.01 -0.02 -0.02 -0.06 0.01 0.06 -0.02 -0.03 -0.06 -0.09 -0.07 -0.01 -0.04 -0.01 0.02 -0.08 -0.00 0.03 -0.08 -0.06 -0.05 -0.01 0.00 -0.04 0.04 0.02 0.01 -0.07 -0.07 -0.05 0.20 0.19 -0.15 -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 0.01 -0.00 0.01 -0.01 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 0.01 0.10 -0.16 0.12 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.01 -0.01 0.00 0.02 0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.04 0.13 -0.06 0.00 0.00 -0.02 -0.02 0.03 -0.01 0.03 -0.06 0.02 0.06 -0.15 0.06 0.02 -0.07 0.04 0.02 -0.08 0.03 -0.05 0.08 -0.05 0.10 -0.20 0.11 0.10 -0.23 0.12 -0.06 0.11 -0.06 -0.32 0.67 -0.39 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.10 0.28 0.31 -0.03 -0.03 -0.03 -0.06 -0.01 -0.10 0.02 -0.00 0.03 0.06 0.01 -0.01 -0.06 -0.02 0.01 0.03 -0.01 0.05 0.01 0.01 0.00 -0.12 -0.05 0.06 -0.01 -0.00 0.03 0.00 0.00 0.02 0.02 -0.01 0.06 0.01 -0.01 0.04 0.03 -0.01 0.07 -0.02 -0.03 0.01 -0.02 0.06 -0.01 -0.00 -0.01 0.01 0.24 0.09 0.06 0.12 -0.05 -0.20 -0.05 -0.01 0.07 0.04 -0.03 -0.14 -0.06 -0.08 -0.19 -0.15 0.00 0.09 -0.19 -0.13 -0.14 -0.22 -0.16 -0.06 0.15 0.17 0.04 -0.02 0.10 0.04 -0.24 -0.16 -0.04 0.23 0.19 0.36 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.08 0.00 -0.07 -0.02 -0.00 0.00 -0.01 -0.01 -0.04 -0.01 -0.05 0.02 -0.02 0.03 0.05 -0.01 -0.00 0.00 0.01 -0.00 0.02 -0.00 0.03 -0.01 -0.03 -0.01 0.03 0.01 0.00 0.01 0.03 0.01 0.01 0.00 0.01 0.01 0.05 0.01 0.05 0.01 0.01 -0.00 -0.00 0.08 -0.05 0.01 0.01 -0.02 0.01 -0.00 -0.01 -0.05 0.04 0.13 0.08 0.16 0.24 -0.29 -0.07 0.12 0.31 0.07 -0.13 -0.10 0.10 0.25 -0.08 -0.17 -0.26 -0.22 0.01 0.23 0.04 -0.04 -0.13 0.25 -0.02 -0.23 0.11 -0.09 -0.28 -0.16 0.04 0.21 0.19 0.02 -0.07 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.24 0.06 0.34 -0.00 -0.00 0.01 0.03 0.03 0.10 0.06 0.14 -0.08 0.10 -0.10 -0.17 0.04 0.02 -0.00 -0.04 0.01 -0.08 0.02 -0.11 0.03 0.11 0.04 -0.07 0.00 -0.00 -0.04 -0.05 -0.02 -0.02 -0.04 -0.03 -0.01 -0.15 -0.04 -0.17 -0.01 -0.03 0.02 0.01 -0.26 0.16 -0.02 0.01 0.05 -0.02 0.01 0.05 -0.06 -0.03 -0.02 0.00 0.03 0.07 -0.03 -0.06 -0.07 0.05 0.04 0.02 0.04 0.05 0.07 -0.02 -0.07 -0.13 0.01 -0.03 -0.02 0.07 0.03 0.02 0.02 -0.00 -0.04 -0.10 -0.10 -0.12 0.00 0.05 0.14 -0.52 0.03 0.35 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.00 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 -0.01 -0.02 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.03 -0.06 0.03 -0.02 0.05 -0.02 -0.03 0.06 -0.03 0.05 -0.11 0.05 -0.18 0.41 -0.21 0.05 -0.11 0.05 -0.17 0.37 -0.19 -0.02 0.04 -0.02 -0.08 0.19 -0.09 -0.07 0.17 -0.09 -0.23 0.53 -0.26 -0.00 -0.03 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.02 -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 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.09 0.17 -0.09 0.03 -0.10 0.06 0.05 -0.11 0.03 -0.03 0.03 -0.00 0.00 0.00 0.01 -0.01 0.02 -0.03 -0.00 0.02 -0.02 0.06 -0.12 0.07 -0.23 0.47 -0.24 -0.23 0.48 -0.26 -0.15 0.38 -0.18 0.02 0.08 -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 0.09 0.18 0.18 0.17 -0.05 -0.05 -0.05 -0.01 -0.11 -0.03 -0.00 0.01 -0.09 0.07 0.14 -0.13 -0.06 0.02 0.01 0.00 0.01 -0.02 0.10 -0.02 -0.18 -0.08 0.06 -0.10 -0.04 0.04 -0.06 -0.02 0.03 0.01 0.01 -0.00 0.03 0.00 0.02 -0.00 0.01 -0.02 -0.00 0.27 -0.15 0.01 0.03 -0.06 0.02 0.02 -0.04 -0.00 -0.06 0.01 -0.12 0.01 0.07 0.03 -0.06 -0.17 -0.15 -0.01 0.11 -0.03 0.02 0.07 0.00 -0.10 -0.19 0.05 -0.02 -0.15 0.09 0.10 0.04 -0.20 -0.25 0.02 -0.22 -0.30 -0.11 0.14 -0.03 0.13 0.29 0.20 0.21 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.02 -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 0.10 0.04 0.07 -0.06 0.27 -0.11 0.02 -0.02 0.04 -0.12 -0.27 0.13 0.08 -0.09 -0.15 -0.01 -0.00 0.00 0.09 -0.03 0.17 0.03 -0.14 0.02 0.04 0.04 -0.04 -0.02 0.00 -0.00 -0.04 -0.01 -0.00 0.14 0.05 0.11 0.35 0.08 0.41 0.03 0.05 0.01 0.02 -0.29 0.15 0.01 -0.07 0.06 -0.01 -0.07 0.05 -0.00 -0.01 0.00 -0.05 -0.01 0.04 0.01 -0.01 -0.09 -0.07 -0.02 0.06 -0.05 0.08 0.00 0.00 -0.05 -0.08 0.06 -0.06 -0.02 0.04 0.02 0.03 -0.16 0.02 -0.06 -0.12 -0.09 -0.08 -0.00 0.12 -0.02 0.20 0.26 -0.04 -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 0.10 0.05 0.00 -0.13 -0.07 -0.01 0.04 0.02 0.13 0.03 0.04 -0.02 0.01 0.01 0.01 0.13 0.06 -0.02 -0.01 0.00 -0.02 -0.00 0.01 -0.00 0.22 0.09 -0.09 0.10 0.04 -0.06 0.05 0.02 -0.03 -0.02 -0.01 -0.01 -0.06 -0.02 -0.06 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.02 -0.01 0.00 0.02 -0.02 -0.06 -0.05 -0.01 0.03 -0.01 0.01 -0.00 -0.01 -0.03 -0.06 0.02 -0.03 -0.07 0.02 0.02 0.02 -0.07 -0.03 -0.00 -0.09 -0.08 -0.04 0.02 0.01 0.03 0.82 0.31 -0.10 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 -0.01 -0.00 0.00 -0.01 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 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.15 0.04 -0.09 -0.02 0.07 0.26 -0.04 -0.03 -0.19 0.06 0.08 -0.06 0.07 -0.06 -0.15 -0.12 -0.05 0.02 -0.04 0.02 -0.09 0.02 -0.09 0.02 -0.32 -0.12 0.18 -0.08 -0.02 0.09 -0.00 -0.01 0.05 -0.07 -0.01 -0.06 -0.14 -0.01 -0.16 -0.02 -0.01 -0.03 0.01 -0.28 0.18 -0.00 -0.02 0.06 -0.03 -0.03 0.05 0.01 -0.01 0.01 -0.02 -0.01 0.02 -0.00 0.00 -0.04 -0.05 -0.02 0.03 -0.05 0.06 -0.02 -0.01 -0.02 -0.05 0.06 -0.05 0.03 0.01 0.01 0.01 -0.10 0.01 -0.05 -0.04 -0.10 -0.01 0.01 0.02 -0.00 0.56 0.22 -0.16 0.00 0.00 -0.01 -0.09 0.13 -0.04 -0.09 -0.03 0.24 -0.08 -0.08 0.32 -0.09 -0.09 0.32 0.23 0.11 -0.02 0.33 0.09 -0.03 0.32 0.10 -0.01 0.14 0.05 -0.01 -0.07 -0.17 -0.18 -0.07 -0.26 -0.21 -0.06 -0.26 -0.22 -0.03 -0.11 -0.09 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 0.00 0.00 0.01 -0.02 0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 0.03 0.00 -0.00 -0.04 -0.04 0.13 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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.03 0.07 -0.03 0.02 -0.05 0.02 -0.03 0.06 -0.03 0.19 -0.42 0.21 0.03 -0.07 0.03 -0.17 0.38 -0.20 0.00 -0.00 0.00 0.17 -0.41 0.20 -0.19 0.43 -0.22 -0.01 0.03 -0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 -0.05 0.03 -0.03 0.08 -0.04 -0.03 0.08 -0.04 -0.00 -0.00 0.00 0.19 -0.43 0.22 -0.00 0.01 -0.01 0.21 -0.45 0.24 0.04 -0.09 0.05 -0.01 0.01 -0.00 0.03 -0.07 0.03 -0.23 0.52 -0.26 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.16 -0.06 0.04 0.04 0.02 -0.00 0.01 0.00 -0.02 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.03 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.03 -0.01 0.01 -0.03 -0.01 0.01 -0.02 -0.01 0.01 0.01 0.01 -0.00 0.03 0.00 0.02 -0.00 0.01 -0.01 0.01 0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.08 -0.04 -0.01 -0.02 0.08 0.18 0.20 0.01 -0.16 0.13 0.01 -0.09 -0.12 0.05 0.19 -0.02 0.04 0.11 0.18 -0.05 -0.20 -0.17 -0.10 -0.06 0.14 0.01 -0.06 -0.10 0.03 0.10 -0.21 -0.08 -0.01 0.67 0.29 -0.10 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.04 0.09 -0.01 0.05 -0.07 0.03 0.03 -0.08 0.04 0.17 -0.39 0.23 -0.03 0.07 -0.04 -0.19 0.41 -0.25 -0.02 -0.00 -0.01 -0.20 0.41 -0.22 0.16 -0.37 0.18 0.01 -0.04 -0.01 -0.07 -0.04 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 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 -0.16 -0.05 0.05 0.04 0.02 -0.00 0.01 0.00 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.03 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.02 -0.01 -0.03 -0.01 0.01 -0.03 -0.01 0.01 -0.02 -0.01 0.01 0.01 0.01 -0.00 0.03 0.01 0.03 -0.00 0.01 -0.01 0.01 0.03 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.10 -0.06 -0.01 0.02 -0.06 -0.20 -0.10 -0.02 0.09 0.09 0.00 -0.02 0.10 -0.18 -0.16 -0.01 0.03 0.02 -0.11 0.15 0.12 0.10 0.08 0.07 0.11 0.19 0.02 0.03 -0.07 0.08 0.06 0.11 0.16 0.72 0.32 -0.10 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.01 0.00 -0.02 0.04 -0.02 -0.02 0.04 -0.02 0.03 -0.07 0.04 0.11 -0.23 0.12 0.03 -0.07 0.04 0.14 -0.29 0.16 -0.03 0.07 -0.04 -0.18 0.42 -0.20 -0.19 0.44 -0.22 0.17 -0.40 0.21 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 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 0.01 0.01 0.06 0.03 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -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 -0.00 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 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.06 -0.02 0.02 -0.03 -0.03 -0.05 0.08 -0.03 -0.13 -0.36 -0.14 0.06 -0.07 0.04 0.14 -0.16 -0.22 -0.25 0.12 0.08 0.05 -0.10 -0.27 -0.46 -0.47 -0.10 0.20 0.15 0.09 0.05 -0.15 -0.06 0.03 0.00 0.00 0.01 0.00 0.00 -0.00 -0.05 -0.05 -0.02 -0.05 -0.00 0.37 0.18 0.12 -0.29 -0.01 0.02 0.07 0.33 0.11 -0.11 -0.34 -0.17 -0.06 0.01 -0.06 -0.18 0.06 0.02 -0.05 -0.18 -0.29 -0.21 0.03 0.24 0.32 -0.15 -0.07 0.11 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.13 0.12 0.06 -0.05 -0.06 -0.07 -0.07 -0.09 0.01 -0.09 0.01 0.44 0.17 0.15 -0.35 0.09 -0.03 -0.07 -0.34 -0.05 0.06 0.29 0.20 0.04 0.20 0.16 0.12 -0.01 0.12 0.07 0.10 -0.01 0.05 0.03 -0.10 0.01 0.14 0.25 0.26 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.09 0.12 0.18 0.07 0.02 -0.07 0.02 -0.03 0.14 -0.01 0.07 -0.16 -0.15 -0.02 0.16 -0.11 -0.02 -0.07 -0.27 -0.15 0.12 0.30 0.06 0.05 -0.27 -0.09 0.17 0.08 0.05 -0.05 -0.17 -0.33 -0.23 0.04 0.27 0.35 -0.14 -0.03 0.15 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.18 -0.09 0.26 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.02 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.03 -0.00 -0.03 -0.00 -0.00 0.00 -0.02 -0.01 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 0.02 0.01 0.00 0.03 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.03 0.06 -0.05 -0.06 -0.07 0.11 0.04 -0.01 0.05 0.01 -0.03 -0.44 -0.21 -0.02 -0.00 -0.04 -0.07 0.25 0.23 0.20 -0.04 0.01 0.07 0.17 0.14 0.15 -0.22 -0.13 -0.05 -0.32 0.13 0.52 -0.15 -0.08 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.04 -0.08 0.04 0.01 -0.01 -0.19 0.29 0.12 -0.11 0.16 0.01 0.02 -0.04 -0.01 -0.06 0.06 0.19 0.04 0.00 -0.09 -0.04 0.05 0.08 -0.04 0.08 -0.13 0.34 0.14 -0.01 0.38 0.08 -0.18 -0.30 -0.38 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.03 -0.00 0.04 0.01 -0.06 0.02 0.00 0.00 -0.01 -0.04 -0.01 -0.04 -0.00 0.05 -0.04 -0.01 -0.01 0.01 0.02 0.01 -0.00 0.01 -0.01 0.01 0.02 0.00 -0.01 0.02 0.01 0.00 -0.04 -0.00 -0.06 -0.00 -0.03 0.03 0.00 0.05 -0.00 -0.02 0.06 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.17 0.04 -0.34 -0.02 -0.02 -0.03 -0.04 -0.00 0.00 -0.02 -0.07 0.17 0.07 -0.02 0.01 0.00 0.05 -0.04 0.10 -0.06 0.08 0.26 -0.01 -0.00 -0.21 -0.12 0.05 0.06 -0.03 0.06 -0.08 0.25 0.12 -0.02 0.29 0.06 -0.12 -0.21 -0.28 -0.00 0.00 -0.00 0.01 -0.04 0.01 0.03 0.01 -0.00 -0.10 0.00 -0.16 -0.04 0.25 -0.08 -0.01 -0.02 0.02 0.14 0.02 0.13 0.01 -0.22 0.15 0.05 0.05 -0.03 -0.09 -0.04 0.01 -0.02 0.02 -0.03 -0.07 0.00 0.03 -0.10 -0.03 -0.00 0.15 0.02 0.20 0.01 0.11 -0.13 -0.02 -0.21 0.02 0.09 -0.24 0.09 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.04 0.01 -0.00 0.00 0.00 0.00 0.02 -0.03 0.03 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.03 0.02 -0.00 -0.00 -0.00 -0.00 0.04 0.01 -0.00 0.07 0.03 -0.10 0.04 0.02 -0.02 -0.05 0.08 0.04 0.04 -0.21 0.11 0.03 -0.16 0.34 -0.00 -0.12 0.03 -0.40 0.05 -0.10 -0.34 0.12 0.02 0.43 0.26 -0.05 0.01 0.02 -0.04 -0.03 -0.15 -0.10 0.02 -0.01 0.08 0.01 0.04 0.09 -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 0.03 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.03 0.02 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 -0.00 0.00 0.01 0.00 0.02 0.00 0.01 -0.02 -0.00 -0.03 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 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.00 0.13 -0.00 -0.37 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 0.03 -0.00 -0.00 0.01 -0.01 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.01 0.00 -0.02 -0.06 -0.03 -0.06 0.33 0.13 -0.06 0.14 -0.01 0.19 -0.01 0.14 -0.04 -0.28 -0.07 0.18 -0.16 -0.05 -0.16 -0.00 -0.11 0.08 0.23 -0.01 -0.21 0.02 -0.13 -0.11 -0.45 -0.17 0.14 0.02 0.03 -0.15 0.14 0.05 0.08 -0.19 0.02 -0.26 0.02 0.08 -0.07 -0.00 -0.13 0.02 0.06 -0.07 0.02 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 -0.05 -0.02 -0.00 0.00 -0.00 -0.01 0.02 0.05 0.02 -0.01 0.00 0.01 0.03 0.03 0.03 -0.01 -0.01 -0.00 -0.04 0.01 0.06 -0.03 -0.03 -0.01 -0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.03 0.03 0.01 -0.02 0.02 -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 0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.00 0.01 0.01 0.02 0.01 0.04 0.01 -0.01 -0.04 -0.01 0.01 0.18 0.07 -0.03 -0.12 0.02 -0.18 0.03 -0.17 0.06 -0.14 -0.04 0.13 0.15 0.07 0.14 -0.00 0.13 -0.11 0.28 0.07 -0.19 -0.15 -0.14 -0.08 -0.39 -0.12 0.04 0.04 -0.06 0.23 -0.20 -0.08 -0.17 0.19 -0.07 0.26 -0.00 -0.13 0.13 -0.00 0.19 -0.00 -0.08 0.22 -0.06 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.06 -0.03 0.01 0.00 -0.00 -0.01 0.05 0.03 0.05 -0.02 -0.00 0.01 0.00 -0.00 -0.01 0.02 0.01 -0.01 -0.09 0.03 0.13 -0.11 -0.06 0.01 0.02 0.01 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.02 -0.03 -0.03 0.21 0.07 -0.02 0.04 0.02 0.00 -0.06 -0.07 -0.10 -0.03 0.01 0.05 -0.24 -0.29 -0.38 0.44 0.17 -0.05 -0.32 0.13 0.54 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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.05 0.01 -0.03 0.02 0.02 -0.00 -0.01 0.00 -0.04 0.09 -0.02 0.06 -0.05 -0.04 0.00 0.01 0.00 -0.08 -0.29 0.05 0.52 0.11 -0.18 -0.20 -0.27 0.22 -0.35 -0.01 -0.31 -0.09 0.09 0.19 0.13 0.16 0.30 -0.02 0.01 -0.01 -0.01 0.02 -0.03 -0.00 -0.04 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -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 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.02 -0.03 -0.04 -0.01 0.01 -0.01 -0.03 0.08 -0.02 -0.06 0.07 0.06 0.02 0.00 0.02 -0.06 -0.24 0.04 0.42 0.09 -0.15 -0.17 -0.22 0.18 0.41 0.00 0.39 0.08 -0.12 -0.25 -0.13 -0.20 -0.33 -0.05 0.02 -0.04 -0.02 0.04 -0.07 -0.01 -0.12 0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.05 0.02 0.02 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.12 -0.05 -0.05 -0.05 -0.06 0.03 0.10 0.03 -0.02 0.00 -0.04 0.04 0.04 0.00 0.04 0.01 -0.01 -0.02 -0.01 -0.02 -0.04 0.31 0.09 0.12 0.16 -0.46 0.40 0.14 0.58 -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 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.02 0.02 0.01 -0.01 0.02 -0.00 0.01 -0.00 0.03 -0.01 0.01 0.03 -0.01 -0.00 -0.03 -0.02 0.00 -0.01 0.01 -0.00 0.01 -0.03 -0.01 0.00 -0.03 -0.00 0.01 0.02 0.03 0.04 0.02 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.02 -0.04 -0.03 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.04 0.05 0.05 0.04 0.03 -0.02 -0.04 -0.02 -0.00 -0.02 0.01 -0.02 -0.00 0.01 -0.02 0.01 0.00 0.02 -0.01 0.01 -0.01 -0.02 0.34 -0.20 0.04 -0.23 -0.08 0.13 -0.19 -0.04 -0.05 -0.03 -0.01 0.04 0.01 -0.01 0.03 0.03 0.03 -0.00 -0.02 -0.03 0.43 0.16 -0.06 -0.03 -0.01 0.01 0.21 0.27 0.32 -0.02 -0.01 -0.01 -0.12 -0.16 -0.22 -0.38 -0.14 0.05 -0.01 -0.01 -0.02 -0.05 -0.01 0.03 0.01 0.00 -0.03 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.03 -0.02 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.04 -0.06 -0.04 0.01 0.00 0.02 0.01 0.02 -0.02 -0.06 0.07 0.08 0.07 0.03 -0.04 -0.05 -0.03 -0.03 -0.07 -0.01 -0.01 -0.03 -0.05 0.05 -0.10 -0.01 -0.09 0.05 -0.04 0.09 -0.01 0.50 -0.29 0.07 -0.36 -0.09 0.21 -0.27 -0.08 0.05 0.03 0.01 -0.02 -0.01 0.01 -0.02 -0.02 -0.02 -0.01 0.01 0.02 -0.31 -0.11 0.04 0.02 0.00 -0.01 -0.15 -0.18 -0.23 0.01 0.01 0.01 0.06 0.09 0.13 0.24 0.08 -0.04 0.01 0.01 0.01 0.02 0.01 -0.03 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.01 -0.02 0.00 -0.01 0.00 -0.02 0.01 -0.01 -0.02 0.01 0.00 0.02 0.01 -0.01 0.01 -0.00 0.00 -0.01 0.02 0.00 -0.00 0.02 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.02 -0.05 -0.03 -0.05 0.01 0.05 -0.05 0.00 -0.01 0.00 0.06 0.04 0.07 -0.03 -0.08 0.07 -0.00 0.00 -0.00 0.39 0.09 -0.20 -0.10 -0.11 -0.19 -0.36 -0.11 -0.03 0.07 0.18 -0.22 0.38 0.07 0.38 -0.18 0.16 -0.33 0.01 0.01 0.00 0.01 -0.02 0.01 0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.02 0.01 0.00 -0.00 -0.00 -0.02 -0.04 -0.03 0.00 0.00 0.00 0.01 0.01 0.02 0.03 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.07 0.09 -0.03 0.05 -0.06 0.01 -0.02 0.19 -0.15 -0.10 0.12 -0.20 0.03 -0.07 0.02 -0.22 0.06 -0.09 -0.21 0.10 0.02 0.25 0.14 -0.03 0.05 -0.05 0.03 -0.10 0.19 0.07 -0.02 0.23 0.02 -0.10 -0.17 -0.21 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.03 -0.02 -0.03 0.00 -0.03 0.04 -0.00 0.02 0.00 0.04 0.02 0.04 0.01 0.04 -0.05 0.00 -0.02 -0.01 0.23 0.06 -0.12 -0.07 -0.07 -0.11 -0.21 -0.06 -0.03 -0.05 -0.10 0.11 -0.21 -0.03 -0.20 0.09 -0.08 0.17 0.01 -0.06 0.04 -0.00 0.02 0.03 -0.02 0.04 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.11 0.05 -0.02 -0.01 -0.00 0.00 0.04 0.06 0.07 -0.00 -0.00 -0.00 -0.04 -0.05 -0.06 -0.09 -0.04 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.00 -0.12 -0.03 0.29 0.05 -0.07 0.02 -0.04 0.04 -0.01 0.01 -0.14 0.11 0.07 -0.08 0.14 -0.02 0.05 -0.02 0.16 -0.04 0.06 0.15 -0.07 -0.01 -0.18 -0.11 0.02 -0.04 0.03 -0.02 0.08 -0.14 -0.05 0.01 -0.16 -0.01 0.07 0.13 0.14 -0.01 -0.00 0.00 0.02 0.01 -0.00 -0.07 -0.04 -0.05 0.01 -0.04 0.06 -0.01 0.03 0.01 0.06 0.04 0.07 0.01 0.05 -0.07 0.01 -0.03 -0.01 0.38 0.09 -0.19 -0.10 -0.11 -0.19 -0.34 -0.10 -0.04 -0.06 -0.12 0.13 -0.25 -0.04 -0.26 0.11 -0.11 0.21 0.02 -0.10 0.07 -0.01 0.04 0.05 -0.03 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 0.03 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.03 0.01 -0.00 0.09 0.02 -0.20 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.00 0.01 0.01 0.01 -0.23 -0.15 -0.05 0.02 0.00 0.00 0.03 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.00 -0.02 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.05 -0.03 0.03 0.01 0.01 0.02 0.01 -0.01 0.02 0.01 0.01 0.01 0.02 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.05 0.03 -0.01 0.04 -0.00 -0.01 0.01 0.01 0.27 0.18 0.10 0.06 0.02 -0.00 0.03 0.04 0.06 -0.10 -0.03 0.03 -0.02 0.00 0.01 -0.04 -0.06 -0.08 -0.01 -0.02 -0.02 0.01 0.00 -0.00 -0.34 -0.32 -0.36 -0.52 -0.24 -0.03 0.01 -0.00 -0.00 0.22 0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.00 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 -0.11 0.06 0.22 0.05 0.00 -0.04 0.01 -0.03 -0.06 -0.03 -0.05 -0.08 0.49 0.16 -0.09 0.10 0.03 -0.03 -0.24 -0.33 -0.45 -0.02 0.01 0.04 0.17 0.19 0.24 -0.31 -0.13 0.01 -0.02 0.01 0.03 -0.11 -0.06 -0.00 0.00 0.00 -0.00 -0.18 -0.05 0.26 0.04 0.06 -0.11 0.05 -0.02 -0.19 0.02 0.03 -0.07 0.09 -0.02 -0.11 -0.10 -0.13 0.09 0.29 0.26 0.04 0.09 0.16 0.31 0.09 0.01 -0.10 -0.26 -0.21 -0.24 0.09 0.04 0.27 -0.33 -0.17 0.22 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.00 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 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.02 -0.02 -0.21 0.19 0.19 0.16 -0.09 -0.08 -0.07 -0.13 0.12 0.28 0.28 0.02 -0.26 -0.09 -0.05 -0.09 -0.28 -0.17 0.13 0.04 0.14 0.01 -0.15 0.02 0.29 -0.05 -0.11 -0.04 0.03 -0.04 -0.00 -0.04 -0.13 -0.22 0.05 -0.08 -0.22 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.01 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.32 0.30 0.12 -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 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.02 0.00 0.01 -0.04 0.02 0.06 0.17 0.07 -0.02 -0.07 -0.09 -0.12 -0.04 -0.04 -0.05 -0.48 -0.19 0.07 0.08 0.03 -0.01 0.23 0.30 0.36 -0.10 0.04 0.16 -0.12 -0.14 -0.18 0.18 0.06 -0.03 0.24 -0.10 -0.41 -0.02 -0.01 0.00 0.01 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.06 -0.01 -0.03 0.02 -0.08 -0.04 0.01 0.33 0.06 -0.21 0.34 0.19 0.16 0.21 0.20 -0.06 -0.03 -0.07 -0.07 0.26 0.36 0.15 -0.07 0.22 0.40 0.16 0.14 0.26 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.04 -0.01 -0.00 0.01 0.04 0.02 -0.10 0.04 0.04 0.49 -0.26 -0.24 0.33 0.06 0.03 -0.01 -0.26 -0.06 0.16 -0.24 -0.12 -0.12 -0.16 -0.15 0.07 -0.01 -0.03 -0.04 0.11 0.16 0.06 -0.03 0.12 0.20 0.07 0.06 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 -0.03 -0.00 -0.01 0.02 -0.00 -0.01 0.00 -0.04 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.21 0.03 0.32 0.00 -0.00 -0.00 -0.01 0.03 -0.02 0.10 -0.39 -0.06 0.35 -0.07 0.03 0.02 -0.03 0.01 0.02 0.24 -0.34 -0.12 0.45 0.12 -0.26 -0.21 0.14 0.00 -0.00 0.01 -0.07 -0.00 -0.01 -0.01 0.02 -0.08 0.02 0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.03 0.04 -0.10 0.02 0.03 -0.02 0.09 -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 -0.23 -0.00 0.28 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.04 0.17 0.08 -0.22 0.07 -0.05 0.02 -0.01 0.00 -0.04 0.14 -0.19 -0.07 0.25 0.06 -0.17 -0.15 0.06 -0.02 0.04 -0.00 0.49 -0.14 0.06 0.06 -0.27 0.39 -0.18 -0.16 -0.35 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 0.03 0.05 0.02 0.03 0.01 -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 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.05 -0.17 -0.01 0.02 -0.00 -0.03 0.01 0.04 0.06 -0.34 -0.33 0.44 0.08 -0.15 0.03 0.03 -0.01 -0.19 -0.13 0.24 -0.13 -0.26 -0.13 -0.00 -0.01 -0.02 -0.02 -0.02 -0.04 0.32 0.11 0.09 -0.01 0.01 0.36 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 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.07 0.03 -0.07 0.16 -0.04 -0.05 0.03 -0.16 0.05 -0.01 -0.01 0.01 0.01 -0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.02 0.06 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.04 0.00 0.02 0.01 -0.01 -0.00 0.00 -0.01 0.04 -0.05 0.05 -0.03 -0.03 -0.02 0.02 0.04 0.05 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.04 -0.01 0.04 0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.01 0.00 -0.01 0.01 -0.02 0.00 -0.01 0.00 0.04 0.02 -0.00 -0.03 -0.00 -0.06 0.01 -0.04 0.01 -0.20 -0.17 0.20 -0.26 -0.06 -0.07 -0.19 -0.09 -0.04 0.24 -0.18 0.33 0.15 0.22 0.35 0.07 0.03 0.29 0.02 0.23 -0.23 -0.09 0.22 0.04 -0.09 0.22 0.05 -0.01 0.01 0.02 -0.01 -0.01 -0.01 0.02 0.01 -0.00 0.02 0.02 0.01 0.03 0.00 -0.02 -0.03 -0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 -0.02 -0.04 -0.06 0.08 0.02 -0.02 0.05 -0.02 -0.07 -0.01 -0.00 -0.00 -0.03 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.04 -0.03 0.02 0.01 0.01 -0.02 -0.04 -0.05 0.00 0.00 -0.00 0.02 0.01 0.00 0.01 -0.03 0.02 -0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.02 0.01 -0.02 -0.00 0.04 0.00 -0.01 0.03 0.00 0.05 0.01 -0.05 0.00 -0.21 0.06 0.17 -0.12 0.02 0.07 -0.26 -0.13 -0.06 -0.23 0.14 -0.27 -0.17 -0.17 -0.28 -0.07 -0.01 -0.30 0.04 0.32 -0.31 -0.10 0.30 0.11 -0.15 0.27 0.09 0.01 -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 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.02 -0.00 0.01 -0.01 0.01 0.03 0.00 0.00 -0.00 0.03 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.02 -0.02 0.00 0.00 -0.00 -0.01 -0.02 0.04 -0.04 -0.02 -0.02 -0.01 -0.00 0.03 -0.00 -0.00 -0.00 -0.01 0.05 0.01 -0.00 0.00 0.01 -0.00 0.00 0.04 -0.01 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 0.01 -0.00 -0.00 -0.01 -0.03 0.01 -0.00 -0.00 -0.01 -0.09 0.02 -0.07 -0.02 -0.03 0.02 -0.01 0.02 0.10 -0.11 0.18 -0.04 0.12 0.18 0.00 0.09 0.05 -0.09 0.04 -0.11 0.04 -0.03 0.07 -0.13 0.06 0.08 0.06 -0.03 -0.11 0.05 0.06 0.08 -0.11 -0.04 0.01 -0.12 -0.09 -0.07 -0.15 -0.00 0.12 0.14 0.08 0.04 -0.02 0.08 0.18 0.04 -0.02 -0.06 0.12 0.22 0.34 -0.39 -0.11 0.12 -0.25 0.10 0.42 0.05 0.03 0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 0.02 -0.02 0.00 0.00 -0.00 0.01 -0.03 0.04 -0.03 -0.02 -0.02 0.00 0.02 0.03 -0.00 -0.00 -0.00 0.03 -0.02 0.00 -0.01 0.03 0.02 0.03 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.02 -0.00 -0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.05 -0.04 0.01 0.00 -0.00 -0.02 -0.01 -0.04 -0.00 0.17 0.42 -0.21 0.52 0.09 0.08 0.12 0.19 -0.10 0.05 -0.10 0.14 -0.07 0.09 0.14 -0.01 0.07 -0.01 0.26 0.28 -0.10 -0.13 0.36 0.14 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.03 -0.02 0.04 -0.06 0.06 -0.00 -0.00 0.01 -0.03 0.04 -0.05 0.07 -0.00 0.02 0.01 -0.03 -0.09 0.01 0.01 0.00 -0.04 0.02 -0.00 0.02 -0.06 -0.02 -0.07 -0.03 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 0.02 -0.04 0.00 -0.01 0.01 -0.01 0.02 0.01 0.02 -0.21 0.46 0.12 0.30 0.08 0.11 -0.34 0.01 -0.24 0.00 -0.02 0.03 0.16 0.02 0.04 0.04 -0.12 0.12 -0.34 -0.16 -0.08 0.05 -0.25 -0.25 -0.01 0.25 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.04 0.07 0.07 -0.00 -0.00 -0.00 -0.01 -0.01 -0.03 -0.04 0.10 -0.07 0.12 -0.18 0.19 -0.01 -0.00 0.03 -0.11 0.14 -0.15 0.20 -0.01 0.07 0.02 -0.09 -0.28 0.02 0.02 0.00 -0.10 0.09 0.00 0.07 -0.22 -0.05 -0.23 -0.11 0.09 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.03 0.02 -0.01 -0.01 -0.01 -0.01 0.07 -0.08 -0.05 -0.02 -0.01 -0.03 0.10 0.02 0.05 -0.04 0.06 -0.08 0.38 -0.05 -0.05 0.10 -0.30 0.24 0.18 0.12 0.01 -0.04 0.16 0.14 -0.01 -0.10 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 0.02 -0.03 -0.01 0.01 -0.01 0.01 0.02 0.00 0.00 0.00 0.14 0.21 0.21 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 -0.04 0.03 -0.03 0.03 0.00 0.00 0.00 -0.05 0.02 -0.01 0.03 -0.02 0.00 -0.00 -0.03 -0.06 0.00 0.00 -0.00 0.00 0.03 0.01 0.01 -0.04 0.02 -0.05 -0.02 0.03 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.04 0.01 0.00 0.01 0.00 0.00 0.04 -0.02 0.01 0.31 -0.16 -0.25 0.02 0.01 -0.01 0.38 0.06 0.20 -0.03 -0.04 0.03 -0.06 0.02 0.03 -0.01 0.01 -0.06 -0.41 0.04 -0.34 0.06 -0.15 -0.07 -0.25 0.42 0.16 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 0.01 0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.03 -0.00 0.00 0.00 -0.01 -0.02 -0.03 0.04 0.01 -0.01 0.02 -0.01 -0.04 -0.00 -0.00 -0.00 0.05 0.05 0.02 0.00 0.01 0.01 0.02 0.02 -0.01 0.07 -0.17 0.20 -0.11 0.09 -0.09 -0.02 -0.02 -0.02 0.19 -0.06 0.00 -0.04 0.11 0.02 0.05 0.12 0.19 -0.01 -0.00 0.02 -0.01 -0.21 -0.05 -0.04 0.15 -0.11 0.18 0.07 -0.19 -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 0.00 -0.03 0.01 0.01 0.01 -0.01 -0.00 0.06 0.02 -0.06 0.04 0.02 0.02 0.06 0.01 0.03 0.04 0.20 -0.22 0.40 -0.16 -0.21 0.10 -0.23 0.30 -0.06 0.06 -0.11 0.02 0.00 0.08 -0.12 0.06 0.08 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.02 -0.00 0.01 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.25 -0.19 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.03 0.00 -0.00 -0.01 0.01 0.03 -0.05 0.02 0.21 -0.05 -0.05 0.17 0.37 -0.12 -0.29 0.18 0.02 -0.05 0.07 -0.03 0.05 0.07 -0.00 0.02 -0.01 -0.02 0.00 -0.03 0.23 -0.19 0.49 -0.38 -0.30 0.26 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.01 -0.02 -0.02 0.02 0.00 -0.01 0.02 -0.01 -0.03 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 -0.03 0.03 -0.03 0.00 -0.00 0.00 -0.04 0.04 -0.04 0.03 0.03 0.02 -0.03 -0.04 -0.03 -0.00 -0.01 0.00 -0.02 -0.06 -0.02 -0.03 0.10 -0.03 0.10 0.05 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.04 0.01 0.02 -0.01 -0.01 -0.02 0.03 0.12 0.09 -0.13 -0.16 0.19 0.42 0.01 -0.36 0.32 -0.23 -0.15 0.08 0.10 0.08 0.12 0.02 -0.26 -0.10 0.06 -0.02 0.07 -0.14 0.12 -0.29 0.26 0.13 -0.18 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.02 0.00 -0.00 -0.00 0.01 0.01 0.02 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.00 0.00 -0.00 -0.01 -0.03 -0.05 0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.05 -0.05 0.06 -0.01 0.00 -0.00 0.08 -0.06 0.07 -0.05 -0.04 -0.02 0.05 0.07 0.05 0.01 0.01 -0.00 0.02 0.09 0.03 0.05 -0.17 0.04 -0.16 -0.08 0.05 -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 -0.02 -0.02 -0.04 -0.00 -0.00 -0.01 0.01 0.07 0.09 -0.08 -0.06 0.12 0.25 -0.01 -0.20 0.17 0.45 0.26 -0.12 -0.11 -0.13 -0.19 -0.01 0.45 0.28 0.02 0.00 0.01 -0.08 0.07 -0.15 0.13 0.10 -0.08 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.05 0.10 0.01 -0.03 -0.00 -0.02 -0.02 0.05 -0.10 0.27 -0.20 -0.08 0.09 -0.08 0.06 0.01 -0.01 -0.12 0.10 -0.07 -0.28 0.18 -0.03 -0.28 -0.24 0.17 -0.01 -0.04 -0.03 -0.12 0.22 0.03 -0.07 0.23 -0.01 0.17 0.15 0.32 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.02 -0.01 0.03 0.01 0.00 0.01 0.01 -0.00 0.10 0.10 -0.08 0.15 -0.07 -0.09 0.04 -0.02 0.19 0.00 0.02 -0.02 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -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 0.30 0.04 -0.27 0.05 0.03 0.01 0.01 0.01 0.02 0.07 -0.21 0.24 -0.16 0.26 -0.29 -0.01 0.00 0.01 -0.14 0.05 -0.03 0.06 -0.04 0.01 -0.06 -0.10 -0.13 0.02 -0.01 -0.03 -0.16 0.34 0.06 0.07 -0.28 -0.05 -0.29 -0.12 0.31 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.02 0.01 0.02 0.01 0.02 0.01 -0.04 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.02 0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.27 -0.32 -0.23 0.01 -0.01 -0.05 -0.00 -0.01 0.01 -0.02 0.06 -0.04 0.02 -0.07 0.09 -0.01 -0.01 -0.03 0.39 -0.18 0.13 -0.33 0.13 -0.04 0.03 0.22 0.49 0.01 0.02 0.00 -0.05 0.20 0.05 0.07 -0.27 0.00 -0.25 -0.11 0.15 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.21 -0.08 0.01 0.07 0.03 0.04 0.01 -0.22 -0.12 -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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 0.07 0.08 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.01 -0.02 0.02 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 0.02 -0.02 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.02 -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 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.02 0.02 -0.01 -0.03 0.01 0.12 0.08 0.05 -0.13 -0.03 0.05 -0.03 -0.07 -0.12 -0.01 -0.07 -0.12 0.45 0.19 -0.01 -0.11 -0.02 0.06 0.27 0.30 0.34 0.07 0.05 0.04 0.24 0.23 0.26 0.38 0.17 0.01 0.11 0.06 0.02 -0.00 -0.01 -0.02 0.02 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -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 0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.11 -0.05 -0.21 -0.18 -0.03 0.10 0.01 0.10 0.18 0.07 -0.06 -0.19 0.26 0.14 0.05 0.15 -0.02 -0.16 -0.22 -0.19 -0.17 -0.20 0.08 0.32 0.21 0.08 -0.02 -0.14 -0.14 -0.16 0.26 -0.11 -0.46 0.05 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.11 0.08 0.05 -0.25 -0.14 -0.06 -0.20 -0.16 -0.15 0.20 0.18 0.19 0.28 0.05 -0.14 0.29 0.14 0.03 0.06 0.18 0.29 -0.12 -0.08 -0.06 -0.10 -0.21 -0.33 -0.37 -0.10 0.12 -0.15 -0.09 -0.06 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.50 0.86 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.04 -0.01 -0.00 0.01 0.04 0.03 0.05 -0.03 0.01 -0.02 -0.18 -0.12 -0.04 -0.08 0.22 -0.61 0.66 -0.25 -0.00 0.01 0.00 0.01 0.02 -0.04 -0.04 -0.01 0.00 0.05 -0.07 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.07 -0.09 0.04 0.00 -0.00 0.00 0.02 -0.04 0.04 0.24 0.06 -0.00 -0.02 -0.20 -0.14 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.05 0.05 -0.02 -0.01 0.02 0.00 0.03 0.05 -0.13 -0.13 -0.02 0.00 0.20 -0.32 0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.45 0.62 -0.30 0.00 -0.00 -0.00 0.01 -0.02 0.02 0.10 0.02 -0.00 -0.01 -0.09 -0.06 0.01 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.11 0.10 -0.04 0.02 -0.05 -0.01 -0.05 -0.09 0.26 0.24 0.04 -0.00 -0.41 0.68 -0.16 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.21 0.29 -0.15 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.03 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.20 0.47 0.35 -0.03 -0.36 0.21 0.58 0.08 -0.17 0.05 -0.07 -0.08 -0.15 -0.06 0.04 0.10 0.01 0.14 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 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 -0.01 -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 -0.01 0.00 -0.03 0.03 0.01 0.00 0.02 -0.00 0.02 -0.01 0.01 -0.02 -0.02 -0.05 0.13 0.10 -0.01 -0.10 0.06 0.16 0.02 -0.05 -0.19 0.26 0.28 0.52 0.21 -0.13 -0.36 -0.05 -0.52 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.27 0.04 0.36 -0.09 0.51 -0.23 0.27 -0.43 -0.46 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.01 0.01 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.08 -0.03 -0.08 -0.50 -0.39 -0.15 -0.19 0.66 0.19 -0.20 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.00 0.01 -0.00 -0.05 0.03 -0.06 -0.17 -0.22 0.67 0.55 0.13 -0.03 0.20 -0.33 0.07 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.06 0.05 0.03 0.58 0.17 -0.01 -0.10 -0.56 -0.42 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.19 -0.27 0.14 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.10 -0.03 0.00 -0.01 -0.08 -0.06 0.00 -0.03 -0.08 0.08 0.51 0.38 -0.12 -0.17 0.55 -0.00 -0.00 -0.02 -0.03 -0.01 0.02 0.06 0.09 -0.27 0.36 0.08 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.01 -0.00 -0.00 -0.03 -0.02 -0.00 0.02 0.04 -0.04 -0.28 -0.21 0.07 0.09 -0.30 0.00 0.00 0.01 -0.07 -0.02 0.04 0.11 0.17 -0.50 0.67 0.14 -0.02 -0.00 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.07 -0.06 -0.03 0.71 0.19 -0.02 0.07 0.52 0.38 0.00 -0.00 -0.01 0.01 0.06 0.04 -0.01 -0.02 0.07 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.02 0.03 -0.08 0.09 0.02 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.00 -0.00 -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 0.02 0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 -0.07 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 0.22 -0.54 -0.40 -0.01 -0.01 0.02 0.67 0.11 -0.20 -0.00 0.00 0.00 0.02 0.01 -0.01 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 0.03 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 -0.03 -0.04 0.00 0.00 0.01 -0.00 0.02 -0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.06 0.05 0.06 0.63 0.25 -0.17 0.39 0.06 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.09 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 0.00 0.15 -0.11 0.62 -0.30 -0.27 0.43 0.46 -0.00 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 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.01 -0.05 0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.06 0.13 0.11 0.04 0.45 -0.26 0.15 0.01 -0.04 0.07 -0.09 -0.10 0.06 0.02 -0.01 -0.02 -0.00 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.00 0.04 -0.01 -0.00 0.00 -0.00 0.01 0.03 0.00 -0.01 -0.03 0.57 0.05 -0.40 0.01 0.01 0.00 0.07 0.01 -0.05 -0.02 0.15 0.32 -0.10 -0.06 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.05 -0.03 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.05 0.04 0.02 0.17 -0.10 0.06 0.01 -0.02 -0.39 0.52 0.58 -0.33 -0.13 0.07 0.15 0.02 0.19 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.02 -0.07 0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.16 0.13 0.06 0.61 -0.35 0.25 0.03 -0.07 0.06 -0.08 -0.09 0.05 0.02 -0.01 -0.02 -0.00 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 0.00 -0.03 0.01 0.00 -0.00 0.00 -0.02 -0.04 -0.00 0.01 0.02 -0.41 -0.04 0.29 -0.01 -0.00 -0.00 -0.06 -0.01 0.04 0.02 -0.12 -0.26 0.08 0.06 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 0.51 0.07 0.66 0.07 -0.38 0.16 -0.08 0.13 0.12 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.07 -0.15 0.00 0.00 0.00 0.06 0.01 -0.04 -0.01 -0.00 -0.00 -0.16 -0.01 0.11 0.00 -0.02 -0.04 0.08 0.05 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.15 0.02 0.19 0.02 -0.11 0.05 -0.02 0.04 0.04 -0.00 0.00 0.00 0.00 0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.04 0.02 0.00 -0.01 -0.04 -0.00 0.03 -0.03 0.24 0.51 -0.00 -0.01 -0.01 -0.20 -0.02 0.14 0.02 0.01 0.01 0.52 0.05 -0.36 -0.00 0.05 0.11 -0.26 -0.17 -0.11 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.00 0.00 -0.00 0.02 0.04 0.03 0.00 -0.02 0.01 -0.00 -0.01 0.02 -0.19 -0.40 -0.00 -0.03 -0.05 -0.31 -0.03 0.22 0.03 0.02 0.02 -0.09 -0.01 0.07 -0.03 0.28 0.58 -0.36 -0.24 -0.16 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.05 0.01 0.00 -0.01 0.04 0.01 -0.02 -0.03 0.27 0.56 0.00 -0.02 -0.04 -0.12 -0.01 0.08 -0.02 -0.01 -0.01 -0.45 -0.05 0.30 -0.02 0.20 0.41 0.23 0.15 0.10 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.01 0.00 -0.00 -0.04 -0.00 0.03 0.01 -0.10 -0.21 0.00 -0.01 -0.03 -0.09 -0.01 0.06 -0.05 -0.03 -0.02 0.39 0.04 -0.27 -0.02 0.16 0.35 0.58 0.38 0.26 -0.00 -0.00 -0.00 0.00 -0.00 0.00 7 6 1 1 6 1 1 1 6 1 1 1 5 15 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 6 6 6 6 1 6 1 6 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 7 6 1 1 6 1 1 1 6 1 1 1 5 15 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 6 6 6 6 1 6 1 6 1 1 1 1 1 14.00307 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 11.00931 30.97376 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 272.15869 4162.61466 6369.86795 8620.44771 0.99971 -0.02374 -0.00274 0.02376 0.9997 0.00585 0.0026 -0.00592 0.99998 asymmetric 1 0.02081 0.01360 0.01005 0.43356 0.28332 0.20936 938499.9 29.30 49.75 60.47 66.58 86.20 95.45 106.92 112.54 120.25 139.95 149.50 162.62 169.29 207.10 233.56 254.57 280.55 302.45 335.24 360.80 373.90 391.46 420.64 437.32 455.22 486.86 552.99 606.46 624.94 625.99 639.71 670.80 738.30 791.88 826.16 911.16 975.71 1043.69 1114.10 1146.61 1164.72 1218.45 1235.69 1256.04 1266.36 1360.14 1446.86 1464.75 1465.52 1483.08 1531.58 1549.01 1569.44 1571.89 1602.71 1616.52 1617.69 1619.85 1642.10 1654.96 1688.53 1699.82 1702.35 1709.24 1732.71 1733.50 1740.12 1743.62 1746.08 1777.42 1901.87 1932.60 1937.72 1960.05 2065.26 2066.62 2099.81 2102.60 2112.63 2117.98 2119.52 2120.96 2123.53 2127.07 2127.55 2129.50 2131.22 2138.04 2141.68 2142.60 2145.87 2160.14 2168.25 2189.83 2353.43 2392.83 3767.59 4237.39 4270.87 4288.56 4386.61 4387.85 4400.51 4427.73 4435.85 4439.65 4503.52 4506.52 4512.97 4531.92 4533.50 4549.93 4579.28 4580.29 4581.35 4594.70 4594.75 4608.07 4618.63 4636.25 0.357456 0.380966 0.381910 0.301649 -1117.064538 -1117.041028 -1117.040084 -1117.120345 239.060 81.980 168.924 0.000 0.000 1.377 0.889 2.981 42.702 0.889 2.981 33.791 237.282 76.019 91.053 1 0.593 1.986 6.598 2 0.594 1.983 5.548 3 0.595 1.980 5.161 4 0.595 1.979 4.971 5 0.597 1.973 4.460 6 0.598 1.970 4.259 7 0.599 1.966 4.036 8 0.600 1.964 3.935 9 0.600 1.960 3.805 10 0.603 1.951 3.508 11 0.605 1.946 3.380 12 0.607 1.939 3.216 13 0.608 1.935 3.138 14 0.616 1.909 2.751 15 0.622 1.889 2.522 16 0.628 1.871 2.361 17 0.636 1.847 2.180 18 0.642 1.825 2.042 19 0.654 1.790 1.856 20 0.663 1.761 1.725 21 0.668 1.746 1.663 22 0.675 1.725 1.583 23 0.688 1.688 1.460 24 0.695 1.666 1.395 25 0.703 1.642 1.329 26 0.719 1.599 1.220 27 0.753 1.504 1.022 28 0.784 1.423 0.887 29 0.795 1.395 0.845 30 0.796 1.394 0.842 31 0.804 1.373 0.812 32 0.824 1.325 0.748 33 0.868 1.221 0.626 34 0.906 1.139 0.543 35 0.931 1.087 0.496 0.466911e+26 25.669234 59.105596 0.244432e+11 10.388158 23.919618 0.200000e+01 0.301030 0.693147 0.176477e+09 8.246687 18.988699 0.541201e+07 6.733359 15.504132 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.8037 0.9186 1.9364 4.3659 -105.2493 -119.0219 -116.6522 3.2271 -0.9890 1.6203 8.3918 -5.3808 -3.0111 3.2271 -0.9890 1.6203 -97.2942 5.5295 28.9074 -49.2701 17.2358 -17.4296 -6.0003 -9.5931 7.3219 7.2262 -3697.6754 -2645.3785 -879.9624 120.4837 33.3357 14.2924 52.9221 -21.3957 -1.6452 -1084.8655 -814.2672 -558.0922 25.5918 2.9547 0.7497 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -1117.4219937 0.76949 0. 0.750254 1.648E-9 7.187E-6 0.3574557 0.380966 -1117.0410277 -1117.0400835 -1117.1203446 -2.1611703,4.0525435,-1.8913732,3.0347836,3.0958626,2.5670024 C01 [X(C12H24B1N1O3P1)] 1.2981774 0.6382867 0.926162 -0.7559481 -0.0046568 0.0498139 -0.0475602 -0.5596403 0.0179397 0.047151 0.0080537 -0.5814984 0.4184916 0.0027578 0.0128627 0.0552193 0.111646 -0.0555672 -0.0535036 -0.0363003 0.4940554 0.0375255 -0.0443961 -0.0187113 -0.1004299 -0.0802164 -0.0922886 -0.0322838 -0.0380133 -0.0121135 -0.0668202 0.0995101 -0.0384701 0.1411385 -0.0453177 0.0687411 0.0010831 0.0093886 0.0155231 0.4427493 0.079453 -0.0623933 0.2029958 0.3812052 0.1147045 -0.0557113 0.1397743 0.2332942 -0.0755641 0.1069346 -0.0077642 0.0788396 -0.0854949 -0.0135471 -0.0404574 0.0395071 0.0624722 0.0497854 -0.0227405 -0.03678 -0.0181435 0.0317129 0.0411954 -0.0076112 -0.02608 -0.1684242 -0.1834406 -0.1039708 0.0272135 -0.0346387 -0.0500031 -0.0346959 0.1346965 0.0152523 -0.028232 0.4789754 -0.1175153 -0.0461683 -0.1564477 0.3540198 -0.1079438 -0.0650188 -0.1187942 0.1822672 0.0267617 0.0439804 -0.0178968 0.0290512 0.0458478 -0.0001169 -0.0071186 0.0630764 -0.1654437 -0.0076634 -0.0515046 -0.0297827 -0.0382988 -0.100047 -0.0280455 -0.0458973 -0.0947055 0.0425521 -0.1787108 0.0551917 0.0010906 -0.0567299 -0.0398095 0.0490182 0.0719285 0.0209672 0.0011321 -0.2359942 -0.2636152 0.1330937 -0.1372019 -0.3510619 -0.1612884 0.153337 -0.2163196 -0.2014391 2.168813 0.5394453 -0.1250038 0.2464115 2.8263465 0.6894363 0.2506321 0.7591655 2.2149594 -0.5894342 -0.346019 -0.0906909 -0.3315244 -2.1969066 -0.5235866 -0.159072 -0.5243619 -0.7434203 -0.6860251 -0.2469601 0.2063531 -0.2179277 -0.9653892 0.1717442 0.233022 -0.1208517 -1.6255279 -1.7070158 -0.0998193 0.1894996 0.183984 -0.5859653 -0.1637236 0.0585134 -0.207049 -0.7985532 0.3398745 0.3016895 0.1147917 0.1517527 0.8825708 0.2682921 0.1245571 0.5895249 0.5018111 0.2841291 0.0362173 -0.0694545 0.1583149 0.4308249 -0.5334871 -0.0665839 -0.1587538 0.5421577 0.7606583 0.0281112 -0.1606599 -0.0867708 0.237469 0.0329986 -0.4893658 -0.0003104 0.418965 0.0737964 -0.053666 -0.0059546 -0.043363 -0.1246758 0.0045505 0.0061681 0.0476398 0.0117033 -0.0242758 0.0080435 0.0726695 -0.0292857 0.0086212 -0.0200644 0.0266434 -0.1395869 -0.0338018 -0.0580316 -0.0246591 -0.0727017 0.0622921 0.0074121 0.0211194 -0.0562981 -0.0807431 0.0095245 -0.0715937 0.0546816 -0.0702192 0.0008666 0.0132128 0.0908581 -0.004196 0.0296367 0.0403073 0.0350863 0.0141906 0.1053689 0.0204788 0.0291782 -0.0132614 0.0816569 0.0084811 -0.0559388 0.0537831 -0.0427355 -0.0326564 -0.04834 -0.0253757 0.0506066 -0.0434733 -0.0184107 0.0173706 -0.1039413 0.0188912 -0.0128017 0.0406062 0.0720111 0.0113144 -0.0738246 -0.0020227 0.0147557 0.0424892 -0.0212549 -0.0209387 0.0085512 -0.0202209 -0.0555051 0.0448937 -0.0484785 -0.0044522 0.01779 0.0273476 0.013316 -0.0464597 -0.0524892 0.0729287 0.0924549 0.0511247 0.0006253 -0.1588457 -0.0515161 -0.0961631 0.1622002 0.389271 0.2378118 -0.0409434 0.0888227 -0.1057104 -0.0804243 -0.1049742 0.070248 -0.099906 -0.2596607 -0.1797523 0.0637435 -0.1894398 -0.0786578 -0.0800452 0.1275343 0.1134807 -0.0283793 -0.2338157 -0.0363039 0.1349635 0.117533 -0.0179593 -0.050506 0.017898 0.1053 0.0224587 0.1157444 0.1178927 0.0918279 0.0466733 0.0328594 0.0499278 0.0376478 -0.0774291 0.0588271 0.0150377 0.0656386 -0.0788179 0.0359145 0.0373141 -0.0361904 -0.0717811 0.0907244 -0.0194455 0.0884987 0.0085914 0.1084268 -0.0771762 0.0039499 0.0472156 -0.0252898 -0.0752688 -0.0280315 0.0488512 -0.0541756 -0.0910582 -0.0508301 -0.0157842 -0.1265427 0.0267711 0.0225405 -0.0348284 -0.1054187 -0.0572302 -0.0009939 0.0282141 -0.1101111 0.0506612 -0.0504404 -0.0961875 -0.032762 0.0268741 -0.060578 -0.0841623 -0.0662646 -0.0163443 0.0449546 0.0646075 -0.0732696 0.0508302 0.000495 0.0448148 -0.0833412 0.0787055 0.0181515 0.100016 0.001476 -0.0239496 0.0083344 -0.1068629 -0.0292143 -0.0245447 -0.0207552 0.0844539 -0.104873 0.0925927 -0.0936015 0.0174743 -0.1519298 -0.0014032 -0.1325983 0.0460452 -0.1220951 -0.1415977 -0.037458 0.1265506 -0.064153 0.0234507 0.0415821 0.0111762 0.0117467 -0.094698 167.5589468|8.0921923|227.80328|17.7037279|26.9100601|167.7027613 -0.000008317 -0.000001952 -0.000012258 -0.000000414 0.000004296 0.000005013 0.000005950 0.000005795 0.000006079 0.000007669 -0.000011951 0.000004954 0.000016856 0.000019696 0.000004255 0.000002740 -0.000002283 -0.000002992 -0.000007649 -0.000001830 0.000002439 -0.000011050 -0.000007193 -0.000001999 0.000010293 -0.000013005 0.000000381 -0.000001014 -0.000000361 0.000001017 0.000000978 0.000000163 0.000000356 -0.000003571 0.000006527 0.000006283 -0.000001201 -0.000014158 0.000005515 -0.000001449 -0.000027153 0.000009860 0.000003800 0.000016437 -0.000011447 0.000015864 0.000018327 0.000013545 -0.000018179 0.000008589 0.000010556 -0.000002334 -0.000002775 -0.000003980 -0.000002325 -0.000003609 -0.000002623 0.000009419 0.000003863 -0.000016543 -0.000002070 0.000001849 -0.000002046 -0.000000880 -0.000000340 -0.000000357 0.000000644 0.000001680 -0.000002183 0.000001748 0.000007056 0.000000444 -0.000004970 -0.000002284 -0.000003789 -0.000001069 -0.000003005 -0.000000573 -0.000000528 -0.000000615 -0.000002029 0.000000092 -0.000001367 -0.000000377 0.000000413 0.000000652 0.000000640 -0.000012472 -0.000019599 -0.000007795 0.000005705 -0.000002947 0.000000991 0.000001463 0.000006453 -0.000002643 0.000003045 0.000002026 0.000001845 -0.000000474 -0.000000462 -0.000001528 -0.000000951 -0.000000312 -0.000002156 0.000004739 0.000004926 0.000003283 -0.000000779 0.000002850 0.000002764 -0.000001496 -0.000003046 0.000000068 0.000002042 -0.000000291 0.000002898 0.000000956 -0.000002864 0.000000727 0.000000625 0.000015071 -0.000000506 -0.000011847 -0.000002855 -0.000006090 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-2.5834,-1.4915,.3299;-2.7826,-1.3365,-1.0928;-3.1796,-2.2692,-1.5224;-3.516,-.5378,-1.2863;-2.1259,-.2707,.9472;-2.845,.5418,.7582;-2.0507,-.4018,2.0387;-1.1329,.0691,.5739;-1.7475,-2.6261,.6495;-1.6831,-2.7493,1.7428;-2.1865,-3.5475,.2368;-.7143,-2.5447,.2473;1.1795,-.2576,-1.3074;2.009,.6623,.0617;2.0553,2.23,-.246;1.4084,.6801,1.5659;3.5194,.1938,.4364;2.4482,3.1881,.727;1.2165,-.5209,2.2958;4.4812,-.0276,-.5872;2.6108,4.1322,.1935;1.6593,3.318,1.4809;3.3804,2.8845,1.2272;2.1846,-.9361,2.6157;.6173,-.2691,3.1793;.674,-1.2688,1.6959;5.4246,-.2788,-.087;4.1793,-.8597,-1.2415;4.6236,.8792,-1.1952;1.3069,-1.792,-1.4622;.5967,-2.4331,-2.5061;2.0488,-2.638,-.6017;.6075,-3.8141,-2.6661;.0139,-1.8202,-3.1985;2.0637,-4.0204,-.759;2.6235,-2.2049,.2229;1.3384,-4.6202,-1.79;.0391,-4.2703,-3.4805;2.6437,-4.6381,-.0686;1.3448,-5.7057,-1.9115;.4717,.4413,-1.99;-1.8475,-1.0814,-1.637; Gaussian 16 15-Jul-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 120 C1[X(C12H24BNO3P)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprintgfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:-2.5834,-1.4915,.3299;-2.7826,-1.3365,-1.0928;-3.1796,-2.2692,-1.5224;-3.516,-.5378,-1.2863;-2.1259,-.2707,.9472;-2.845,.5418,.7582;-2.0507,-.4018,2.0387;-1.1329,.0691,.5739;-1.7475,-2.6261,.6495;-1.6831,-2.7493,1.7428;-2.1865,-3.5475,.2368;-.7143,-2.5447,.2473;1.1795,-.2576,-1.3074;2.009,.6623,.0617;2.0553,2.23,-.246;1.4084,.6801,1.5659;3.5194,.1938,.4364;2.4482,3.1881,.727;1.2165,-.5209,2.2958;4.4812,-.0276,-.5872;2.6108,4.1322,.1935;1.6593,3.318,1.4809;3.3804,2.8845,1.2272;2.1846,-.9361,2.6157;.6173,-.2691,3.1793;.674,-1.2688,1.6959;5.4246,-.2787,-.087;4.1793,-.8597,-1.2415;4.6236,.8792,-1.1952;1.3069,-1.792,-1.4622;.5967,-2.4331,-2.5061;2.0488,-2.638,-.6017;.6075,-3.8141,-2.6661;.0139,-1.8202,-3.1985;2.0637,-4.0204,-.759;2.6235,-2.2049,.2229;1.3384,-4.6202,-1.79;.0391,-4.2703,-3.4805;2.6437,-4.6381,-.0686;1.3448,-5.7057,-1.9115;.4717,.4413,-1.99;-1.8475,-1.0814,-1.637; chk=8fos_TMA_add1.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 40 41 42 14 12 1 1 12 1 1 1 12 1 1 1 11 31 16 16 16 12 12 12 1 1 1 1 1 1 1 1 1 12 12 12 12 1 12 1 12 1 1 1 1 1 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 11.0093053 30.9737634 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 1 1 0 1 1 1 0 1 1 1 3 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 1 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 2.7500000 12.9400000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "8fos_TMA_add1.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1020 A 905 A 905 1344 1020 74 73 1577.4090926384 42 42 42 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 -0.0348852521 0.000000 1.444951 0.000000 2.095627 1.100994 0.000000 2.095599 1.101493 1.779538 0.000000 1.442475 2.393499 3.347187 2.644286 0.000000 2.094325 2.637821 3.635253 2.407407 1.101376 0.000000 2.095472 3.348946 4.176516 3.636062 1.101882 1.777906 0.000000 2.144556 2.734102 3.748575 3.083510 1.113960 1.785753 1.791565 0.000000 1.445055 2.402107 2.626006 3.352021 2.404095 3.354390 2.639919 2.765396 0.000000 2.094904 3.353390 3.623764 4.174380 2.640540 3.626397 2.394463 3.100379 1.102059 0.000000 2.096055 2.647983 2.390690 3.625741 3.353514 4.174705 3.627786 3.782053 1.100995 1.777214 0.000000 2.147029 2.744718 3.047277 3.772164 2.766532 3.785190 3.096330 2.667185 1.111706 1.793609 1.781384 0.000000 4.285226 4.111987 4.805753 4.703900 4.001149 4.593758 4.653125 2.998871 4.243418 4.868993 4.953669 3.351792 0.000000 5.079453 5.318573 6.166454 5.812269 4.330317 4.905183 4.639159 3.238107 5.026906 5.300626 5.946069 4.211348 1.846266 0.000000 5.974872 6.069795 7.019766 6.307319 5.015940 5.279367 5.385682 3.937792 6.232533 6.536396 7.183750 5.541812 2.842820 1.598259 0.000000 4.709349 5.357218 6.267895 5.819609 3.711863 4.331637 3.655055 2.795588 4.661539 4.620549 5.706385 4.079685 3.031119 1.619772 2.470571 0.000000 6.332113 6.662966 7.401388 7.280057 5.687328 6.382021 5.826492 4.655936 5.978024 6.118380 6.826049 5.045696 2.952900 1.625181 2.599058 2.443058 0.000000 6.882827 7.151551 8.155653 7.314835 5.738806 5.917934 5.903224 4.751364 7.170357 7.304259 8.190824 6.564771 4.197722 2.648589 1.420901 2.841664 3.193353 0.000000 4.387058 5.304792 6.079634 5.935367 3.612926 4.471025 3.279542 2.971986 3.990889 3.698587 4.998062 3.467000 3.613011 2.649363 3.838202 1.418448 3.044862 4.211296 0.000000 7.272749 7.398062 8.036657 8.043868 6.787285 7.470470 7.049928 5.733698 6.861321 7.129899 7.584689 5.833100 3.387123 2.647467 3.331385 3.818270 1.421978 4.025056 4.383289 0.000000 7.656691 7.787838 8.800697 7.844527 6.510772 6.555638 6.759582 5.537939 8.054616 8.257917 9.055097 7.459225 4.855025 3.524128 2.029787 3.904651 4.049060 1.096513 5.292933 4.627247 0.000000 6.515921 6.929606 7.978297 7.022017 5.243247 5.340318 5.283240 4.378870 6.901433 6.932023 7.967081 6.444178 4.559599 3.031365 2.079147 2.651195 3.783038 1.098918 3.949387 4.840822 1.796037 0.000000 7.451293 7.821886 8.783829 8.098768 6.352413 6.668170 6.399662 5.359380 7.549518 7.592428 8.564037 6.870431 4.597892 2.859580 2.086736 2.977086 2.807881 1.100664 4.173874 3.603336 1.793719 1.792923 0.000000 5.316664 6.211767 6.904805 6.919592 4.669782 5.561617 4.307703 4.023024 4.709863 4.359912 5.620072 4.074347 4.106264 3.018055 4.269681 2.077654 2.794229 4.543767 1.100818 4.044587 5.633490 4.434100 4.237334 0.000000 4.456204 5.563221 6.365815 6.090810 3.536597 4.302019 2.904691 3.156809 4.188933 3.675182 5.221846 3.943088 4.521767 3.538817 4.477235 2.032140 4.019849 4.617141 1.096784 5.401306 5.679811 4.103374 4.624986 1.794057 0.000000 3.539275 4.441815 5.119525 5.194634 3.065350 4.067109 2.879850 2.512696 2.966625 2.783955 3.937581 2.377792 3.209039 2.860366 4.233228 2.086686 3.438226 4.893881 1.101567 4.609516 5.931161 4.696351 4.979336 1.799562 1.789653 0.000000 8.110083 8.335998 8.947396 9.024411 7.621041 8.353149 7.772703 6.599900 7.582304 7.744166 8.289727 6.552283 4.417102 3.546069 4.203746 4.447704 2.031601 4.641235 4.841964 1.096979 5.239499 5.438110 3.988993 4.270237 5.811951 5.169831 0.000000 6.971605 6.979803 7.498001 7.702167 6.700245 7.436707 7.055708 5.690157 6.467061 6.844341 7.066401 5.385448 3.060353 2.953897 3.879279 4.234500 2.088301 4.822513 4.626612 1.100733 5.425698 5.587099 4.555401 4.343170 5.707872 4.591607 1.794753 0.000000 7.738681 7.731195 8.420820 8.262493 7.174092 7.727202 7.526307 6.076407 7.502019 7.846811 8.247700 6.503594 3.628568 2.909139 3.053120 4.242749 2.085948 3.709169 5.074969 1.101010 4.069526 4.679330 3.381454 4.875147 6.041880 5.345200 1.791819 1.795391 0.000000 4.293802 4.131324 4.512244 4.986405 4.461389 5.255051 5.046076 3.682695 3.805820 4.486512 4.262939 2.752115 1.547512 2.973088 4.268041 3.910451 3.527556 5.558506 3.968223 3.735641 6.287927 5.907559 5.779476 4.258246 4.933389 3.263162 4.597496 3.028002 4.267015 0.000000 4.363802 3.823522 3.905754 4.689784 4.900402 5.599207 5.638283 4.328871 3.935761 4.832245 4.063473 3.051604 2.551419 4.262665 5.383375 5.189682 4.909359 6.743841 5.205700 4.955637 7.378903 7.078260 7.068520 5.567388 6.083340 4.361056 5.814008 4.112226 5.376477 1.416029 0.000000 4.862042 5.027628 5.321668 5.987156 5.042910 5.992455 5.364506 4.339713 3.997129 4.408627 4.412278 2.892035 2.630591 3.366546 4.880952 4.014754 3.355503 5.988986 3.683727 3.568034 6.839814 6.321618 5.967872 3.642299 4.685711 3.007237 4.150557 2.847958 4.399160 1.416539 2.403658 0.000000 4.955100 4.484047 4.247039 5.444399 5.751835 6.528398 6.391046 5.348478 4.236858 5.081289 4.037948 3.441888 3.849966 5.426195 6.669658 6.224921 5.845358 7.995751 5.986378 5.802123 8.679519 8.316953 8.229086 6.218348 6.836349 5.050797 6.508061 4.849295 6.349786 2.455038 1.390248 2.778937 0.000000 4.393661 3.533893 3.634516 4.214402 4.915972 5.422910 5.805421 4.372169 4.308075 5.306591 4.430299 3.595691 2.716012 4.557662 5.411903 5.558423 5.436673 6.813078 5.772535 5.476206 7.326683 7.141834 7.283822 6.268884 6.591378 4.969451 6.429104 4.701395 5.705201 2.165031 1.093064 3.399014 2.147482 0.000000 5.401511 5.549845 5.580476 6.598418 5.875697 6.871009 6.152191 5.358962 4.295653 4.681126 4.390818 3.302600 3.904036 4.754425 6.271432 5.284831 4.616051 7.370113 4.721826 4.670811 8.226253 7.683318 7.304538 4.573409 5.627936 3.940684 5.074210 3.833923 5.545271 2.456206 2.779228 1.391441 2.408351 3.872229 0.000000 5.256626 5.631213 6.060223 6.538339 5.179050 6.142943 5.328866 4.405067 4.411854 4.599279 4.993882 3.355081 2.866876 2.936805 4.495701 3.406444 2.569510 5.419393 3.018695 2.974586 6.337196 5.745922 5.242515 2.743791 4.063537 2.616605 3.413606 2.524821 3.939973 2.177936 3.406958 1.094357 3.872936 4.320167 2.138523 0.000000 5.446451 5.315212 5.100163 6.362796 6.197763 7.116250 6.628755 5.803891 4.410288 5.011073 4.205240 3.559768 4.392132 5.637707 7.058565 6.273808 5.734856 8.278681 5.789035 5.693477 9.064083 8.591726 8.342283 5.805093 6.644224 4.881112 6.200436 4.744778 6.433504 2.847280 2.417920 2.417859 1.396998 3.402738 1.395988 3.396541 0.000000 5.396142 4.719071 4.265930 5.602151 6.347302 7.031384 7.056467 6.053255 4.790846 5.706324 4.392519 4.176316 4.703691 6.384226 7.535303 7.200540 6.883540 8.895728 6.986404 6.789975 9.524353 9.209956 9.193337 7.272131 7.790778 6.017269 7.513470 5.812639 7.263465 3.438376 2.152991 3.871838 1.092917 2.466399 3.401221 4.965851 2.160706 0.000000 6.114136 6.433821 6.452641 7.499141 6.546396 7.592183 6.665192 6.069027 4.883270 5.056710 4.961229 3.969652 4.782000 5.339885 6.895536 5.699219 4.936538 7.868963 4.957658 4.990185 8.774246 8.165175 7.668839 4.595780 5.808855 4.283166 5.170849 4.243827 5.969086 3.439382 3.872178 2.153740 3.401782 4.965195 1.092972 2.450631 2.160399 4.308211 0.000000 6.181708 6.065854 5.694787 7.122115 7.053821 7.981991 7.433981 6.757493 5.060072 5.591223 4.662898 4.346438 5.483977 6.699701 8.139629 7.271484 6.711608 9.342275 6.678256 6.620518 10.139872 9.645437 9.369408 6.629436 7.483361 5.757524 7.030313 5.653934 7.390856 3.939513 3.409217 3.409104 2.165885 4.304064 2.164524 4.294822 1.092250 2.495440 2.494616 0.000000 4.295572 3.815264 4.571444 4.166019 3.985218 4.308559 4.827433 3.047482 4.615283 5.362573 5.285459 3.915152 1.206377 2.573253 2.957855 3.685000 3.903462 4.339753 4.455223 4.273580 4.792311 4.661928 4.977962 5.103326 5.219917 4.068342 5.354543 3.999888 4.249877 2.442095 2.923063 3.727802 4.310909 2.604658 4.894546 4.065639 5.139066 4.960587 5.848895 6.209147 0.000000 2.139796 1.111583 1.788483 1.789467 2.722671 3.060502 3.743516 2.592805 2.761249 3.772553 3.115819 2.641277 3.154413 4.560565 5.303991 4.895170 5.893130 6.501537 5.016954 6.501174 7.099932 6.432289 7.159832 5.862152 5.471023 4.183532 7.478710 6.043888 6.776025 3.238216 2.925181 4.321605 3.815006 2.539504 4.970559 4.971068 4.764161 4.138441 5.939832 5.625856 2.796799 0.000000 C12H24BNO3P(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 0 0 0 247.91806099999985 AuxInfo=1/0/N:18,19,20,37,33,35,31,32,30,13,15,16,17,14;2,5,9,1/E:(1,2,3)(5,6)(7,8)(11,12,13);(1,2,3)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.4;/rA:42nNCHHCHHHCHHHBP4OOOCCCHHHHHHHHHC3C3C3C3HC3HC3HHHHH/rB:s1;s2;s2;s1;s5;s5;s5;s1;s9;s9;s9;;s13;s14;s14;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s13;s30;s30;s31;s31;s32;s32;s33s35;s33;s35;s37;s13;s2;/rC:2.4267,-2.7364,.1245;2.8058,-2.4012,-1.2289;3.8671,-2.11,-1.2627;2.6758,-3.2764,-1.885;1.0593,-3.1885,.2058;.9092,-4.0606,-.4499;.8232,-3.5014,1.2356;.318,-2.4134,-.095;2.7199,-1.6738,1.0588;2.4836,-1.9996,2.0847;3.7926,-1.4278,1.0274;2.1606,-.735,.8546;-.2816,.3144,-1.1872;-1.8379,-.0019,-.2456;-2.9822,-.5734,-1.204;-1.9029,-1.0825,.9593;-2.4639,1.2619,.5619;-4.206,-1.0955,-.7053;-1.0671,-.9645,2.0993;-2.5832,2.5321,-.0661;-4.8807,-1.1948,-1.5639;-4.0456,-2.0792,-.2424;-4.6534,-.4155,.0356;-1.4018,-.1326,2.7379;-1.1458,-1.9064,2.6556;-.0166,-.8068,1.8078;-3.0773,3.1965,.6535;-1.5945,2.9409,-.3247;-3.1976,2.4636,-.9771;.8595,1.1915,-.6185;2.0455,1.3431,-1.3772;.842,1.8305,.6456;3.1388,2.0585,-.9021;2.1031,.8717,-2.3617;1.9333,2.5487,1.1244;-.0467,1.7558,1.2798;3.093,2.6641,.356;4.0388,2.1449,-1.5161;1.8815,3.021,2.1087;3.9525,3.223,.7328;-.2192,-.2998,-2.2237;2.2091,-1.5645,-1.6526; 0.4335595 0.2833247 0.2093559 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= 1011 1011 1011 1011 1011 MxSgAt= 42 MxSgA2= 42. 1 open 1 1 1 -1117.97104576419 -1118.19501869926 -0.223972935070 -1118.42773039862 -0.232711699367 -1118.42811514859 -0.000384749962 -1118.42816775789 -0.000052609303 -1118.42817982222 -0.000012064335 -1118.42818113204 -0.000001309818 -1118.42818151025 -0.000000378204 -1118.42818166036 -0.000000150115 -1118.42818174070 -0.000000080335 -1118.42818176592 -0.000000025228 -1118.42818178045 -0.000000014523 -1118.42818178485 -0.000000004401 -1118.42818178616 -0.000000001309 -1118.42818178624 -0.000000000082 -1118.42818179 15 0.7688 1.113360517985e+03 -5.777163519186e+03 1.968000612029e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570761156 LenY= 1569719736 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. 0.7688 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 N C H H C H H H C H H H B P O O O C C C H H H H H H H H H C C C C H C H C H H H H H 14 13 1 1 13 1 1 1 13 1 1 1 11 31 17 17 17 13 13 13 1 1 1 1 1 1 1 1 1 13 13 13 13 1 13 1 13 1 1 1 1 1 0.00156 -0.00000 0.00011 0.00001 0.00405 0.00006 0.00007 0.00016 -0.00036 0.00000 0.00007 0.00022 0.01296 -0.06238 0.02037 0.04178 0.00319 0.00233 -0.00006 0.00799 -0.00008 0.00041 0.00013 -0.00000 0.00002 0.00005 0.00042 0.00024 0.00011 -0.02941 0.00984 0.01051 -0.01110 -0.00207 -0.01094 -0.00199 0.01010 0.00094 0.00096 -0.00218 -0.00844 0.00017 0.50302 -0.00291 0.49675 0.04712 4.55833 0.26385 0.33186 0.72136 -0.40297 0.02008 0.32925 0.96785 18.58536 -112.97685 -12.34873 -25.32391 -1.93650 2.62343 -0.06193 8.98335 -0.37934 1.85208 0.57647 -0.01682 0.09571 0.24440 1.88991 1.08112 0.47331 -33.05937 11.06252 11.81222 -12.47644 -9.26217 -12.29931 -8.88734 11.35159 4.21203 4.28742 -9.72626 -37.70743 0.75961 0.17949 -0.00104 0.17725 0.01681 1.62653 0.09415 0.11842 0.25740 -0.14379 0.00717 0.11748 0.34535 6.63172 -40.31295 -4.40633 -9.03620 -0.69099 0.93610 -0.02210 3.20548 -0.13536 0.66087 0.20570 -0.00600 0.03415 0.08721 0.67437 0.38577 0.16889 -11.79640 3.94738 4.21489 -4.45191 -3.30497 -4.38870 -3.17122 4.05053 1.50296 1.52986 -3.47057 -13.45495 0.27105 0.16779 -0.00097 0.16570 0.01572 1.52050 0.08801 0.11070 0.24062 -0.13442 0.00670 0.10983 0.32284 6.19941 -37.68502 -4.11909 -8.44715 -0.64595 0.87508 -0.02066 2.99652 -0.12653 0.61779 0.19229 -0.00561 0.03192 0.08152 0.63040 0.36062 0.15788 -11.02742 3.69006 3.94013 -4.16169 -3.08953 -4.10261 -2.96450 3.78648 1.40498 1.43013 -3.24433 -12.57785 0.25338 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 0.001784 0.001048 0.001255 0.000172 0.000948 -0.001369 -0.001308 -0.003694 0.000892 0.000104 0.000970 0.002184 -0.071130 -0.076595 -0.030941 0.038866 -0.032100 0.005341 -0.001249 0.000587 0.002393 0.001661 0.003061 -0.001827 -0.001512 -0.003301 -0.000127 -0.002442 0.002665 0.028428 -0.043422 -0.046841 0.022355 -0.004005 0.026501 0.002426 -0.047754 0.000004 0.003663 0.004221 -0.022492 0.002797 0.001859 0.000752 -0.000054 0.000740 0.005970 0.002670 0.001134 0.009693 -0.000197 -0.000237 -0.000269 -0.001337 0.133913 0.100367 0.066964 -0.063433 -0.032547 -0.002286 -0.003521 0.001504 -0.000993 -0.000077 -0.001683 -0.002048 -0.000724 -0.003370 0.001165 0.006041 0.000486 -0.049556 0.079926 0.084753 -0.039881 -0.001656 -0.041207 -0.003249 0.090125 -0.000447 -0.001369 0.002738 0.001727 0.000361 -0.003643 -0.001800 -0.001202 -0.000913 -0.006917 -0.001301 0.000174 -0.005998 -0.000695 0.000133 -0.000700 -0.000848 -0.062782 -0.023773 -0.036023 0.024567 0.064647 -0.003055 0.004769 -0.002090 -0.001400 -0.001584 -0.001378 0.003875 0.002236 0.006670 -0.001038 -0.003599 -0.003151 0.021128 -0.036504 -0.037912 0.017525 0.005661 0.014706 0.000823 -0.042371 0.000443 -0.002294 -0.006960 0.020765 -0.003158 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 -0.006371 -0.002986 -0.001270 -0.001474 -0.011805 -0.001199 -0.001228 -0.007256 -0.001327 -0.000875 -0.000875 -0.001280 -0.166080 -0.153483 -0.007579 0.057020 -0.005981 0.003879 0.000701 -0.004946 0.001490 0.002317 0.000668 0.000383 0.000186 -0.000045 -0.002262 -0.002982 -0.005313 0.049813 -0.068010 -0.064287 0.035363 -0.001661 0.035833 -0.000698 -0.071578 0.002318 0.002875 0.005685 -0.014704 -0.003760 0.002512 0.000274 -0.000298 -0.000515 0.004490 0.000363 0.000225 0.002101 0.001536 0.001333 0.001053 0.003210 0.090928 0.116270 0.000887 -0.117071 -0.036635 -0.001404 -0.000660 -0.003446 0.000826 -0.000363 -0.001395 -0.000974 -0.000080 0.002293 -0.001355 -0.001250 0.000035 -0.026043 0.035963 0.034260 -0.013896 -0.002349 -0.015787 -0.004993 0.039384 0.002177 0.000052 0.007944 -0.001509 -0.001886 -0.002506 -0.000595 0.000106 0.000628 -0.005642 0.000315 -0.001968 -0.005562 -0.000762 -0.000990 -0.000464 -0.001064 -0.177184 -0.160615 -0.017738 -0.055781 0.018484 -0.000584 -0.002657 0.003737 0.000152 -0.000571 -0.000241 0.000055 -0.002543 -0.003419 0.001501 0.004197 0.000210 0.052797 -0.079496 -0.077980 0.039856 0.003346 0.038743 0.000564 -0.084295 0.002494 0.000332 -0.000108 0.010552 0.001090 -0.3112 0.0607 0.9484 0.6642 0.7276 0.1714 -0.6797 0.6833 -0.2668 -0.0046 -0.0045 0.0092 -0.179 -0.175 0.354 -0.064 -0.063 0.126 -0.06 -0.058 0.118 1 N 14 0.5434 0.6479 0.5337 -0.4358 -0.3257 0.8391 0.7175 -0.6886 0.1054 -0.0022 -0.0017 0.004 -0.301 -0.23 0.531 -0.107 -0.082 0.189 -0.1 -0.077 0.177 2 C 13 0.1593 0.0825 0.9838 0.5002 0.8524 -0.1524 0.8511 -0.5164 -0.0945 -0.0012 -8.0E-4 0.0021 -0.662 -0.436 1.099 -0.236 -0.156 0.392 -0.221 -0.146 0.366 3 H 1 0.1333 -0.2199 0.9664 0.7768 0.6287 0.036 -0.6155 0.7459 0.2546 -0.0011 -0.001 0.0022 -0.601 -0.557 1.158 -0.215 -0.199 0.413 -0.201 -0.186 0.386 4 H 1 -0.0724 0.3005 0.951 0.7942 0.5941 -0.1273 -0.6033 0.7461 -0.2817 -0.009 -0.0086 0.0176 -1.213 -1.154 2.368 -0.433 -0.412 0.845 -0.405 -0.385 0.79 5 C 13 0.8033 0.244 -0.5434 0.5358 0.1023 0.8381 -0.2601 0.9644 0.0485 -0.002 -0.001 0.003 -1.056 -0.549 1.606 -0.377 -0.196 0.573 -0.352 -0.183 0.536 6 H 1 0.7514 0.5307 0.392 -0.6089 0.3289 0.7219 -0.2542 0.7811 -0.5703 -0.0021 -9.0E-4 0.003 -1.098 -0.487 1.585 -0.392 -0.174 0.565 -0.366 -0.162 0.529 7 H 1 0.171 0.3622 0.9163 0.9083 0.3025 -0.2891 -0.3819 0.8817 -0.2772 -0.0078 -0.0068 0.0146 -4.164 -3.617 7.782 -1.486 -1.291 2.777 -1.389 -1.207 2.596 8 H 1 -0.5391 -0.0524 0.8406 0.374 0.8794 0.2947 0.7546 -0.4733 0.4545 -0.0016 -0.001 0.0026 -0.219 -0.136 0.356 -0.078 -0.049 0.127 -0.073 -0.046 0.119 9 C 13 -0.6194 0.2085 0.7569 0.4951 0.852 0.1704 0.6093 -0.4803 0.6309 -0.0012 -9.0E-4 0.0022 -0.656 -0.503 1.16 -0.234 -0.18 0.414 -0.219 -0.168 0.387 10 H 1 -0.4127 0.0642 0.9086 0.3993 0.9093 0.1171 0.8187 -0.4111 0.401 -0.0012 -7.0E-4 0.0019 -0.646 -0.381 1.027 -0.231 -0.136 0.366 -0.216 -0.127 0.343 11 H 1 -0.4925 0.1745 0.8526 0.3173 0.9483 -0.0109 0.8104 -0.2652 0.5224 -0.0029 -0.0018 0.0047 -1.558 -0.935 2.493 -0.556 -0.334 0.89 -0.52 -0.312 0.832 12 H 1 0.4516 0.6203 0.6413 0.7826 0.0698 -0.6186 -0.4285 0.7812 -0.454 -0.1702 -0.1578 0.328 -29.132 -27.021 56.153 -10.395 -9.642 20.037 -9.718 -9.013 18.731 13 B 11 0.8773 0.2506 -0.4093 0.171 0.6336 0.7545 -0.4484 0.7319 -0.5131 -0.1747 -0.1323 0.307 -37.761 -28.602 66.364 -13.474 -10.206 23.68 -12.596 -9.541 22.137 14 P 31 0.0498 0.1683 0.9845 0.9959 0.0656 -0.0616 -0.0749 0.9835 -0.1644 -0.039 -0.0315 0.0705 2.823 2.279 -5.102 1.007 0.813 -1.82 0.942 0.76 -1.702 15 O 17 -0.0231 0.9086 0.417 0.7238 -0.2725 0.6339 0.6896 0.3165 -0.6514 -0.0905 -0.0851 0.1756 6.547 6.16 -12.707 2.336 2.198 -4.534 2.184 2.055 -4.239 16 O 17 0.9464 -0.0248 0.3221 0.0778 0.9852 -0.1528 -0.3136 0.1697 0.9343 -0.0444 -0.0359 0.0803 3.214 2.597 -5.81 1.147 0.927 -2.073 1.072 0.866 -1.938 17 O 17 -0.3873 0.9219 -0.0058 0.1331 0.0622 0.9891 0.9123 0.3823 -0.1468 -0.0039 -0.0033 0.0072 -0.525 -0.44 0.965 -0.187 -0.157 0.344 -0.175 -0.147 0.322 18 C 13 -0.1571 0.9514 0.265 0.9803 0.1177 0.1589 -0.1199 -0.2847 0.9511 -0.0044 -0.0013 0.0056 -0.587 -0.171 0.758 -0.21 -0.061 0.27 -0.196 -0.057 0.253 19 C 13 0.3232 -0.2921 0.9001 0.7255 0.6873 -0.0374 -0.6077 0.6651 0.434 -0.0045 -0.0039 0.0085 -0.609 -0.526 1.135 -0.217 -0.188 0.405 -0.203 -0.175 0.379 20 C 13 -0.3662 0.6226 0.6915 -0.1241 0.7038 -0.6994 0.9222 0.3419 0.1805 -0.0017 -0.0014 0.0031 -0.907 -0.751 1.658 -0.324 -0.268 0.592 -0.303 -0.25 0.553 21 H 1 -0.3426 0.6392 0.6885 0.4732 -0.5157 0.7142 0.8116 0.5705 -0.1258 -0.0019 -0.0014 0.0033 -1.032 -0.753 1.785 -0.368 -0.269 0.637 -0.344 -0.251 0.595 22 H 1 0.1066 0.6982 0.7079 -0.2873 0.7033 -0.6503 0.9519 0.134 -0.2756 -0.0018 -0.0017 0.0036 -0.974 -0.925 1.899 -0.347 -0.33 0.678 -0.325 -0.309 0.633 23 H 1 -0.6703 0.7338 -0.1103 0.7237 0.6794 0.1212 -0.1639 -0.0014 0.9865 -0.0024 -0.0016 0.004 -1.284 -0.87 2.154 -0.458 -0.31 0.769 -0.428 -0.29 0.718 24 H 1 -0.1725 0.8562 0.4869 0.9845 0.1343 0.1126 -0.031 -0.4988 0.8662 -0.0022 -0.0015 0.0037 -1.178 -0.798 1.976 -0.42 -0.285 0.705 -0.393 -0.266 0.659 25 H 1 -0.497 0.7992 0.3379 0.8468 0.5318 -0.0123 0.1896 -0.2801 0.9411 -0.0048 -0.0034 0.0081 -2.554 -1.794 4.348 -0.911 -0.64 1.552 -0.852 -0.598 1.45 26 H 1 0.6897 0.1561 0.707 0.4535 0.668 -0.5899 -0.5644 0.7276 0.39 -0.002 -0.0017 0.0037 -1.082 -0.905 1.987 -0.386 -0.323 0.709 -0.361 -0.302 0.663 27 H 1 0.065 -0.3345 0.9402 0.9573 0.2869 0.0359 -0.2817 0.8977 0.3388 -0.0052 -0.0034 0.0086 -2.763 -1.805 4.568 -0.986 -0.644 1.63 -0.922 -0.602 1.524 28 H 1 0.6115 0.7533 -0.2419 0.1608 0.181 0.9702 0.7747 -0.6322 -0.0105 -0.0039 -0.0031 0.007 -2.078 -1.657 3.735 -0.741 -0.591 1.333 -0.693 -0.553 1.246 29 H 1 -0.3958 0.8107 -0.4314 -0.1202 0.42 0.8995 0.9104 0.4079 -0.0689 -0.102 0.0493 0.0527 -13.684 6.61 7.074 -4.883 2.359 2.524 -4.565 2.205 2.36 30 C 13 -0.3175 0.315 0.8944 0.8738 0.4636 0.1469 -0.3684 0.8282 -0.4224 -0.0773 -0.0735 0.1507 -10.368 -9.857 20.225 -3.7 -3.517 7.217 -3.458 -3.288 6.746 31 C 13 -0.5315 0.1865 0.8263 0.7725 0.5069 0.3825 -0.3475 0.8416 -0.4135 -0.0775 -0.0721 0.1496 -10.406 -9.67 20.076 -3.713 -3.45 7.164 -3.471 -3.226 6.697 32 C 13 -0.3624 0.835 -0.4141 -0.6975 0.0517 0.7147 0.6182 0.5479 0.5636 -0.075 0.034 0.041 -10.064 4.559 5.505 -3.591 1.627 1.964 -3.357 1.521 1.836 33 C 13 0.9194 0.3845 0.0826 -0.316 0.8474 -0.4268 -0.2341 0.3663 0.9006 -0.0049 -0.0027 0.0076 -2.62 -1.452 4.073 -0.935 -0.518 1.453 -0.874 -0.484 1.358 34 H 1 -0.3566 0.835 -0.419 -0.2517 0.346 0.9038 0.8997 0.4278 0.0868 -0.0759 0.0339 0.042 -10.192 4.554 5.638 -3.637 1.625 2.012 -3.4 1.519 1.881 35 C 13 0.6482 0.2112 0.7316 -0.0711 0.9734 -0.218 0.7582 -0.0892 -0.6459 -0.0034 -0.0033 0.0068 -1.834 -1.774 3.608 -0.654 -0.633 1.287 -0.612 -0.592 1.203 36 H 1 -0.4878 0.2079 0.8478 0.7946 0.508 0.3326 -0.3615 0.8359 -0.413 -0.0857 -0.077 0.1627 -11.5 -10.336 21.837 -4.104 -3.688 7.792 -3.836 -3.448 7.284 37 C 13 -0.4091 0.8318 -0.3752 0.7193 0.041 -0.6935 0.5615 0.5536 0.6151 -0.0027 -0.002 0.0047 -1.447 -1.047 2.494 -0.516 -0.374 0.89 -0.483 -0.349 0.832 38 H 1 -0.3541 0.8076 -0.4716 -0.2157 0.4202 0.8814 0.91 0.4138 0.0254 -0.0028 -0.0021 0.005 -1.507 -1.146 2.653 -0.538 -0.409 0.947 -0.503 -0.382 0.885 39 H 1 -0.4954 0.2022 0.8448 -0.3668 0.8329 -0.4144 0.7874 0.5152 0.3385 -0.0116 3.0E-4 0.0114 -6.213 0.154 6.059 -2.217 0.055 2.162 -2.072 0.051 2.021 40 H 1 0.8948 0.4416 -0.0656 -0.4145 0.7673 -0.4893 -0.1657 0.4651 0.8696 -0.0296 0.0029 0.0267 -15.813 1.57 14.244 -5.643 0.56 5.082 -5.275 0.524 4.751 41 H 1 PT12169.400S 2025-07-15T17:18:36.000 -77.33813 -19.29622 -19.29323 -19.29036 -14.41068 -10.35227 -10.34903 -10.34781 -10.28748 -10.28455 -10.28357 -10.28073 -10.28022 -10.27980 -10.27819 -10.27564 -10.26972 -6.80741 -6.76832 -4.91742 -4.91660 -4.91210 -1.20385 -1.15223 -1.14628 -1.01018 -0.94196 -0.85256 -0.83366 -0.83196 -0.81088 -0.80097 -0.78838 -0.78626 -0.71168 -0.68611 -0.68031 -0.66849 -0.62792 -0.62476 -0.62011 -0.59312 -0.57082 -0.56883 -0.55503 -0.54825 -0.54528 -0.54198 -0.54060 -0.53768 -0.53638 -0.52474 -0.52128 -0.49219 -0.47917 -0.46736 -0.46168 -0.45915 -0.44725 -0.44618 -0.44237 -0.43492 -0.43074 -0.43036 -0.42528 -0.41218 -0.40771 -0.40653 -0.39228 -0.38272 -0.34096 -0.32481 -0.27705 -0.22288 0.05879 0.06567 0.09023 0.10516 0.11478 0.13060 0.13327 0.13525 0.14565 0.14676 0.15452 0.16183 0.16684 0.16882 0.17527 0.17651 0.18006 0.18437 0.18656 0.18873 0.19081 0.19704 0.19773 0.20136 0.20657 0.20929 0.21291 0.21863 0.22500 0.23174 0.23539 0.24042 0.25152 0.25637 0.26207 0.26509 0.26823 0.27122 0.27712 0.28749 0.28825 0.29058 0.29291 0.30538 0.30744 0.31125 0.31493 0.32069 0.32737 0.33458 0.33847 0.35246 0.36168 0.36777 0.37004 0.37591 0.37995 0.38453 0.39132 0.39518 0.40120 0.40303 0.40638 0.40827 0.41671 0.41930 0.42687 0.43237 0.43540 0.43855 0.44772 0.44809 0.45349 0.45936 0.46236 0.46864 0.47148 0.47796 0.48289 0.48835 0.49514 0.49609 0.50023 0.50606 0.50913 0.51144 0.51693 0.51936 0.52333 0.52845 0.53144 0.53641 0.54049 0.54389 0.54844 0.55260 0.55524 0.55955 0.56109 0.56321 0.56926 0.57152 0.57978 0.58767 0.59025 0.59219 0.59535 0.60500 0.60826 0.61220 0.61761 0.62278 0.62928 0.63220 0.63903 0.64186 0.64394 0.65944 0.66458 0.67011 0.68275 0.68548 0.70103 0.70649 0.71054 0.71837 0.72130 0.72686 0.73126 0.74547 0.75344 0.75799 0.76037 0.76635 0.77094 0.78043 0.78542 0.80107 0.80473 0.81022 0.81814 0.82032 0.82332 0.83781 0.84213 0.84787 0.85464 0.85853 0.86382 0.86778 0.86931 0.87911 0.88490 0.89218 0.90497 0.91096 0.91452 0.92477 0.93178 0.94556 0.95278 0.95774 0.95915 0.96460 0.96845 0.98219 0.98786 0.99752 1.00028 1.00445 1.01471 1.01927 1.02324 1.03167 1.03174 1.03641 1.03960 1.04735 1.05070 1.05572 1.05977 1.06470 1.06774 1.07240 1.08026 1.08497 1.08899 1.09909 1.10120 1.10835 1.11412 1.11605 1.12201 1.13067 1.13191 1.14330 1.14604 1.15820 1.16367 1.16982 1.17357 1.17921 1.18054 1.18849 1.19568 1.20366 1.20946 1.21479 1.21898 1.22963 1.23456 1.23775 1.24876 1.25174 1.25745 1.25996 1.27188 1.27384 1.28498 1.28669 1.29061 1.29988 1.30559 1.31643 1.31794 1.32773 1.33152 1.33767 1.33813 1.34219 1.35257 1.35612 1.36968 1.37715 1.38373 1.38702 1.39049 1.39502 1.40490 1.40794 1.41383 1.41859 1.42639 1.42779 1.44198 1.44709 1.45310 1.45603 1.46102 1.46294 1.47352 1.48168 1.48827 1.49305 1.49620 1.50668 1.51220 1.51405 1.52595 1.52818 1.53027 1.54107 1.54561 1.55107 1.55589 1.56077 1.56516 1.56930 1.57617 1.57960 1.58809 1.59534 1.59835 1.60775 1.61468 1.61554 1.62887 1.63635 1.63894 1.64531 1.64895 1.66043 1.67758 1.68057 1.68611 1.69375 1.70438 1.70813 1.71274 1.72109 1.72918 1.73577 1.74313 1.74619 1.76151 1.77903 1.78284 1.79329 1.79929 1.80597 1.80904 1.81518 1.81892 1.83855 1.84346 1.85263 1.85334 1.86781 1.87728 1.88559 1.89349 1.89713 1.92464 1.94151 1.94472 1.95017 1.97206 1.97803 1.98281 2.00094 2.00647 2.01589 2.02926 2.03895 2.04854 2.05427 2.06962 2.08942 2.10735 2.11246 2.12206 2.12778 2.13589 2.14813 2.15482 2.16987 2.17257 2.18775 2.20129 2.20560 2.20777 2.22760 2.23799 2.25029 2.26367 2.27021 2.27688 2.29470 2.30649 2.31437 2.31810 2.31969 2.33852 2.35453 2.35991 2.37557 2.38044 2.39511 2.41043 2.41052 2.41726 2.43066 2.43984 2.45140 2.46602 2.48108 2.49381 2.51096 2.51765 2.53234 2.54671 2.55816 2.57017 2.58649 2.61226 2.61786 2.62354 2.63501 2.63833 2.64736 2.65773 2.67015 2.67967 2.69030 2.69734 2.71927 2.72465 2.73262 2.73735 2.74691 2.75317 2.76451 2.76726 2.77655 2.78030 2.78475 2.79085 2.80033 2.80867 2.81243 2.81888 2.83149 2.84034 2.84856 2.85351 2.86276 2.87183 2.87811 2.88589 2.89341 2.90165 2.90559 2.90928 2.91509 2.91967 2.92929 2.93045 2.94091 2.95420 2.95511 2.95798 2.96981 2.97301 2.97604 2.98457 2.98883 2.99362 2.99991 3.00701 3.01003 3.01719 3.02013 3.02353 3.02732 3.03254 3.03652 3.04869 3.05236 3.06517 3.06993 3.07206 3.08248 3.08403 3.08730 3.09682 3.10131 3.11268 3.11635 3.12819 3.13642 3.13764 3.14323 3.15078 3.16000 3.16533 3.16766 3.17822 3.18759 3.18909 3.19346 3.20495 3.21181 3.21578 3.22049 3.22894 3.23544 3.24470 3.24987 3.25817 3.25953 3.26968 3.28226 3.28773 3.29181 3.29797 3.30490 3.31384 3.32057 3.32493 3.33215 3.34895 3.35055 3.35848 3.36018 3.37095 3.39628 3.40039 3.40896 3.41244 3.41410 3.42019 3.42733 3.43127 3.43765 3.44619 3.45487 3.45908 3.46666 3.46747 3.47616 3.47969 3.49073 3.50821 3.51905 3.52342 3.52980 3.53308 3.53782 3.54904 3.55015 3.55286 3.56367 3.56640 3.57577 3.57698 3.58501 3.58775 3.59698 3.60433 3.60991 3.61768 3.62054 3.62266 3.63962 3.64514 3.65165 3.66900 3.67383 3.67997 3.68784 3.68899 3.69688 3.69917 3.70941 3.71496 3.72044 3.72549 3.73125 3.74559 3.75505 3.75886 3.76400 3.76939 3.77891 3.79239 3.79558 3.80347 3.81567 3.82322 3.83382 3.84036 3.84543 3.84959 3.85589 3.86633 3.86772 3.87011 3.87829 3.88124 3.89393 3.90439 3.90682 3.91210 3.91490 3.92133 3.92497 3.93532 3.94315 3.94843 3.95466 3.96264 3.96635 3.97317 3.98083 3.98954 3.99335 3.99664 4.00671 4.02694 4.03531 4.04951 4.05739 4.06764 4.07558 4.07941 4.10074 4.10860 4.11215 4.11707 4.12123 4.13248 4.13951 4.14299 4.16051 4.16341 4.17005 4.17429 4.18167 4.18627 4.19083 4.19697 4.20939 4.23021 4.23328 4.24039 4.24952 4.25684 4.25943 4.26811 4.27100 4.28042 4.28433 4.28609 4.29413 4.29625 4.30336 4.30831 4.31112 4.31582 4.32015 4.32537 4.32645 4.33277 4.33405 4.34036 4.34620 4.35233 4.35938 4.36731 4.37407 4.38008 4.38163 4.39943 4.40983 4.42386 4.43919 4.44356 4.44835 4.45365 4.46871 4.47129 4.49817 4.50765 4.51289 4.53265 4.55725 4.56657 4.57390 4.57980 4.59919 4.60023 4.60320 4.61738 4.63603 4.63842 4.64645 4.66278 4.67535 4.70052 4.70360 4.70999 4.72318 4.74127 4.76220 4.76955 4.77478 4.78410 4.81147 4.81942 4.82710 4.84088 4.85744 4.86034 4.86724 4.87493 4.88008 4.89556 4.93066 4.94042 4.94713 4.95208 4.95559 4.96495 4.97349 4.99518 5.00157 5.00391 5.01808 5.02474 5.04194 5.05798 5.06393 5.07517 5.08185 5.08644 5.08964 5.09443 5.09966 5.10367 5.10979 5.11494 5.11877 5.12047 5.12140 5.13649 5.16877 5.17316 5.17675 5.18904 5.21060 5.22205 5.23875 5.24519 5.26876 5.27117 5.28518 5.29259 5.30964 5.32127 5.33518 5.33808 5.34543 5.35539 5.35911 5.36155 5.37194 5.37938 5.38146 5.38292 5.39200 5.40369 5.41022 5.41504 5.41703 5.42396 5.42657 5.43736 5.44156 5.44259 5.46505 5.49282 5.50495 5.52560 5.54648 5.55782 5.56757 5.57252 5.57941 5.58729 5.60151 5.62066 5.62904 5.64107 5.66227 5.66922 5.67304 5.69296 5.70726 5.71626 5.72540 5.72646 5.72814 5.73769 5.76320 5.77813 5.79051 5.80472 5.81849 5.82827 5.83617 5.85009 5.86620 5.87033 5.90004 5.94864 5.96449 5.97933 5.99170 6.03457 6.04557 6.08522 6.10330 6.11221 6.11466 6.13977 6.17686 6.21392 6.23656 6.24269 6.27227 6.32260 6.41461 6.58357 6.66012 6.68199 6.69235 6.72401 6.76707 6.81958 6.85035 6.88659 7.00365 7.03941 7.06419 7.21259 7.25551 7.28318 7.35542 7.38056 7.54136 8.18461 8.40419 8.52512 15.46825 16.37447 22.91848 23.17445 23.26564 23.29710 23.38455 23.58264 23.60027 23.63826 23.73572 23.74309 23.77441 24.05820 32.93397 44.19177 44.21960 44.26534 -77.33789 -19.29576 -19.29286 -19.28921 -14.41064 -10.35223 -10.34894 -10.34781 -10.28731 -10.28456 -10.28355 -10.28139 -10.27923 -10.27845 -10.27832 -10.27405 -10.27130 -6.80342 -6.76808 -4.91727 -4.91541 -4.91203 -1.20212 -1.15115 -1.14412 -1.01007 -0.94026 -0.85060 -0.83189 -0.82996 -0.81038 -0.80032 -0.78809 -0.78618 -0.70397 -0.68434 -0.67897 -0.66822 -0.62437 -0.62045 -0.61690 -0.59144 -0.56953 -0.56796 -0.55073 -0.54464 -0.54455 -0.54181 -0.54032 -0.53708 -0.53595 -0.52377 -0.51918 -0.49170 -0.47673 -0.46606 -0.46016 -0.45829 -0.44393 -0.44182 -0.44058 -0.43477 -0.43055 -0.43025 -0.42391 -0.41109 -0.40558 -0.40445 -0.38989 -0.37746 -0.32504 -0.31918 -0.27620 -0.00757 0.06487 0.07807 0.09252 0.10574 0.11534 0.13073 0.13390 0.13663 0.14708 0.14934 0.15652 0.16293 0.16844 0.16896 0.17549 0.17674 0.18003 0.18439 0.18807 0.18849 0.19359 0.19740 0.20090 0.20164 0.20680 0.21110 0.21691 0.21977 0.22587 0.23528 0.23784 0.24155 0.25168 0.25750 0.26494 0.26625 0.26878 0.27341 0.27889 0.28783 0.29097 0.29247 0.29403 0.30735 0.31032 0.31255 0.31687 0.32090 0.33072 0.33632 0.33986 0.35271 0.36213 0.36806 0.37015 0.37639 0.38030 0.38744 0.39207 0.39528 0.40183 0.40319 0.40736 0.40892 0.41832 0.42017 0.42765 0.43303 0.43619 0.43994 0.44827 0.44866 0.45411 0.46046 0.46296 0.47010 0.47240 0.47917 0.48370 0.48956 0.49512 0.49709 0.50070 0.50694 0.50911 0.51257 0.51714 0.51976 0.52401 0.52865 0.53167 0.53724 0.54087 0.54535 0.54916 0.55286 0.55644 0.55992 0.56184 0.56446 0.57015 0.57194 0.57995 0.58819 0.59059 0.59328 0.59605 0.60542 0.60878 0.61259 0.61837 0.62367 0.62978 0.63410 0.63989 0.64331 0.64561 0.66023 0.66600 0.67047 0.68372 0.68701 0.70292 0.70704 0.71151 0.71961 0.72272 0.72680 0.73283 0.74666 0.75473 0.75825 0.76089 0.76733 0.77357 0.78073 0.78571 0.80202 0.80589 0.81089 0.81882 0.82150 0.82491 0.83956 0.84246 0.84917 0.85529 0.85903 0.86462 0.86914 0.87018 0.87947 0.88588 0.89336 0.90557 0.91194 0.91557 0.92574 0.93292 0.94738 0.95339 0.95856 0.95987 0.96506 0.96912 0.98288 0.98841 0.99872 1.00086 1.00465 1.01546 1.01951 1.02375 1.03171 1.03230 1.03661 1.04040 1.04766 1.05104 1.05601 1.06043 1.06530 1.06847 1.07262 1.08109 1.08515 1.08949 1.09931 1.10180 1.10867 1.11507 1.11679 1.12248 1.13122 1.13235 1.14391 1.14630 1.15927 1.16564 1.17040 1.17398 1.18012 1.18186 1.18915 1.19626 1.20511 1.21177 1.21725 1.21982 1.23028 1.23529 1.23925 1.24949 1.25222 1.25806 1.26117 1.27299 1.27529 1.28615 1.28726 1.29223 1.30081 1.30594 1.31729 1.31899 1.33096 1.33666 1.33857 1.33911 1.34334 1.35310 1.35658 1.36972 1.37834 1.38434 1.38992 1.39138 1.39601 1.40557 1.40887 1.41480 1.41920 1.42714 1.42805 1.44259 1.44816 1.45400 1.45685 1.46235 1.46455 1.47431 1.48229 1.48884 1.49428 1.49673 1.50790 1.51276 1.51539 1.52735 1.52911 1.53103 1.54217 1.54626 1.55256 1.55650 1.56257 1.56589 1.57002 1.57812 1.58027 1.58879 1.59652 1.59911 1.60936 1.61518 1.61684 1.62986 1.63785 1.64012 1.64671 1.65089 1.66172 1.68035 1.68196 1.68761 1.69511 1.70536 1.70964 1.71361 1.72309 1.72982 1.73745 1.74612 1.74767 1.76376 1.78131 1.78495 1.79447 1.80102 1.80729 1.81068 1.81605 1.82021 1.84126 1.84444 1.85509 1.85637 1.86902 1.87873 1.88719 1.89418 1.89997 1.92858 1.94283 1.94579 1.95071 1.97368 1.97997 1.98698 2.00675 2.01183 2.01904 2.03431 2.04278 2.05332 2.05907 2.07240 2.09356 2.11134 2.11746 2.12439 2.13031 2.13708 2.15011 2.16025 2.17235 2.17522 2.19491 2.20277 2.20851 2.21362 2.23159 2.24134 2.25527 2.26638 2.27602 2.27992 2.29647 2.30832 2.31775 2.32116 2.32749 2.34103 2.35825 2.36600 2.38085 2.38499 2.39862 2.41137 2.41204 2.42083 2.43216 2.44590 2.45565 2.46736 2.48470 2.49773 2.51399 2.52502 2.53950 2.55218 2.56410 2.57343 2.59025 2.61831 2.62024 2.62583 2.63851 2.64005 2.64957 2.65857 2.67242 2.68079 2.69097 2.69929 2.72062 2.72630 2.73306 2.73822 2.74761 2.75485 2.76518 2.76795 2.77705 2.78073 2.78623 2.79282 2.80113 2.81038 2.81364 2.82028 2.83289 2.84103 2.85003 2.85461 2.86291 2.87317 2.87901 2.88705 2.89442 2.90247 2.90613 2.91067 2.91645 2.92025 2.93013 2.93096 2.94167 2.95482 2.95646 2.95860 2.97044 2.97341 2.97674 2.98511 2.98974 2.99403 3.00047 3.00762 3.01074 3.01791 3.02085 3.02427 3.02804 3.03315 3.03701 3.04935 3.05325 3.06576 3.07027 3.07245 3.08363 3.08560 3.08843 3.09894 3.10237 3.11433 3.11735 3.12880 3.13693 3.13834 3.14418 3.15177 3.16117 3.16611 3.16838 3.17905 3.18825 3.19025 3.19390 3.20542 3.21229 3.21660 3.22082 3.22981 3.23615 3.24603 3.25081 3.25919 3.26013 3.26994 3.28320 3.28886 3.29233 3.29869 3.30595 3.31441 3.32203 3.32566 3.33283 3.34947 3.35215 3.35879 3.36097 3.37274 3.39749 3.40068 3.40960 3.41301 3.41471 3.42044 3.42787 3.43149 3.43817 3.44673 3.45524 3.45945 3.46684 3.46817 3.47713 3.48037 3.49114 3.50970 3.51954 3.52414 3.53026 3.53331 3.53804 3.54916 3.55053 3.55324 3.56414 3.56656 3.57565 3.57842 3.58534 3.58848 3.59719 3.60535 3.61050 3.61870 3.62137 3.62312 3.64001 3.64545 3.65225 3.66925 3.67442 3.68017 3.68824 3.68929 3.69727 3.69968 3.70977 3.71533 3.72099 3.72611 3.73176 3.74598 3.75536 3.75910 3.76465 3.76971 3.77938 3.79285 3.79653 3.80407 3.81631 3.82399 3.83412 3.84107 3.84669 3.85009 3.85643 3.86676 3.86861 3.87123 3.87888 3.88160 3.89425 3.90457 3.90699 3.91227 3.91523 3.92214 3.92553 3.93573 3.94366 3.94878 3.95493 3.96285 3.96699 3.97342 3.98115 3.99023 3.99346 3.99710 4.00684 4.02768 4.03601 4.05035 4.05822 4.06797 4.07568 4.07983 4.10090 4.10873 4.11244 4.11750 4.12128 4.13263 4.13957 4.14310 4.16074 4.16360 4.17026 4.17440 4.18181 4.18651 4.19130 4.19721 4.20987 4.23069 4.23334 4.24063 4.24975 4.25704 4.26003 4.26827 4.27141 4.28075 4.28462 4.28637 4.29423 4.29636 4.30360 4.30848 4.31125 4.31627 4.32068 4.32539 4.32665 4.33295 4.33473 4.34109 4.34646 4.35249 4.36026 4.36746 4.37499 4.38048 4.38231 4.40023 4.40991 4.42411 4.43925 4.44347 4.44898 4.45366 4.46844 4.47607 4.49929 4.50755 4.51288 4.53304 4.55747 4.56702 4.57403 4.57991 4.59936 4.60056 4.60333 4.61777 4.63621 4.63860 4.64659 4.66443 4.67598 4.70052 4.70398 4.71036 4.72387 4.74179 4.76235 4.76969 4.77494 4.78459 4.81196 4.81949 4.82788 4.84174 4.85803 4.86091 4.86753 4.87588 4.88167 4.89622 4.93149 4.94103 4.94771 4.95470 4.95588 4.96552 4.97372 4.99541 5.00185 5.00422 5.01834 5.02510 5.04226 5.05848 5.06493 5.07531 5.08225 5.08683 5.09025 5.09451 5.10006 5.10419 5.10995 5.11527 5.11913 5.12079 5.12183 5.13678 5.16891 5.17325 5.17691 5.18951 5.21101 5.22233 5.23880 5.24530 5.26878 5.27123 5.28538 5.29293 5.31001 5.32151 5.33538 5.33828 5.34592 5.35571 5.35938 5.36194 5.37251 5.37975 5.38165 5.38315 5.39241 5.40389 5.41083 5.41570 5.41765 5.42440 5.42673 5.43763 5.44214 5.44275 5.46553 5.49283 5.50502 5.52628 5.54682 5.55807 5.56804 5.57258 5.57964 5.58743 5.60172 5.62091 5.62928 5.64134 5.66259 5.66960 5.67347 5.69326 5.70784 5.71694 5.72565 5.72692 5.72871 5.73793 5.76336 5.77852 5.79077 5.80544 5.81861 5.82854 5.83643 5.85080 5.86632 5.87046 5.90072 5.94924 5.96456 5.97994 5.99254 6.03537 6.04652 6.08582 6.10341 6.11234 6.11553 6.14045 6.17760 6.21474 6.23682 6.24354 6.27270 6.32345 6.41584 6.58498 6.66202 6.68359 6.69390 6.72487 6.76925 6.82204 6.85202 6.88814 7.00488 7.04076 7.06557 7.21396 7.25653 7.28440 7.35749 7.38157 7.54243 8.18596 8.40532 8.52578 15.47703 16.37563 22.91912 23.17267 23.26577 23.29946 23.38553 23.58271 23.60035 23.63825 23.73585 23.74317 23.77443 24.05853 32.93403 44.19244 44.22029 44.26585 2-A. -3.6551 0.8728 1.8344 4.1817 -106.2167 -119.8384 -117.1245 3.5375 -1.0812 1.8783 8.1765 -5.4452 -2.7313 3.5375 -1.0812 1.8783 -93.8134 4.4095 27.7932 -48.8166 18.6375 -18.0183 -7.2224 -8.8897 8.2660 6.9141 -3745.1885 -2682.1696 -896.9401 124.6401 32.6430 20.6117 56.7800 -19.4387 -0.5164 -1098.2310 -819.3480 -563.4758 28.4159 1.8691 1.7156 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO02 CECILIA 2025-07-15T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1118.4281818 S2=0.768798 S2-1=0. S2A=0.750237 RMSD=9.610e-09 Dipole=1.2425454,0.6197435,0.8824291 Quadrupole=-2.3842699,4.1867816,-1.8025117,2.7956359,3.2812281,2.5364222 PG=C01 [X(C12H24B1N1O3P1)] 0 -2.5834168122 -1.4915174886 0.3299424192 0 -2.7825891128 -1.3365284404 -1.0927985558 0 -3.1796424294 -2.2692363677 -1.5224403556 0 -3.5159883984 -0.5378008339 -1.2863093101 0 -2.1259060971 -0.2706942614 0.9472019362 0 -2.8450422717 0.5417965078 0.7581733762 0 -2.0507431767 -0.4017918378 2.0386725712 0 -1.1328739246 0.0690976503 0.5739249759 0 -1.7474618002 -2.6260801015 0.6495236846 0 -1.683135856 -2.7492940012 1.7427821999 0 -2.1865256487 -3.5475461931 0.2368330359 0 -0.7142724305 -2.5447044308 0.2472952932 0 1.1795092653 -0.2575653497 -1.3074053675 0 2.0089510566 0.6623295408 0.0617249534 0 2.0552992255 2.230003114 -0.245981227 0 1.4083647945 0.6801115709 1.5659326844 0 3.5193588729 0.1938429141 0.4364276898 0 2.4481615426 3.1881068778 0.7269819419 0 1.2165318892 -0.5209219948 2.2958049183 0 4.4811851906 -0.0275949262 -0.5872305968 0 2.6108447288 4.1321770353 0.1934959773 0 1.6593018346 3.3180350549 1.4809312082 0 3.3804124263 2.8844959766 1.2271721487 0 2.1845664152 -0.9360928698 2.6157142812 0 0.6173419183 -0.2691167539 3.179264886 0 0.6740333712 -1.268766023 1.6959092893 0 5.4246274921 -0.278750083 -0.0870301995 0 4.1793187798 -0.8596979383 -1.2415196372 0 4.623573223 0.8792442164 -1.1951716338 0 1.3068931144 -1.792033494 -1.4622400533 0 0.596655248 -2.4331339694 -2.5061225673 0 2.048776212 -2.6379672299 -0.6016648306 0 0.6075338119 -3.8141004243 -2.666131627 0 0.0139012534 -1.8201546561 -3.1985404842 0 2.0636595865 -4.020407968 -0.7589632744 0 2.6234706156 -2.2049384074 0.2228529318 0 1.3384321427 -4.6202083806 -1.7900148426 0 0.0390567512 -4.2702526808 -3.4805187567 0 2.6437135925 -4.6380914875 -0.0686073709 0 1.3447590302 -5.7056674056 -1.9114600176 0 0.4717246872 0.4412944334 -1.9900333164 0 -1.847538944 -1.0813646535 -1.6370313585