Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 19-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 40 40 76 77 389 (5D, 7F) def2SVP 114 114 C1[X(C14H19BN3O3)] C1[X(C14H19BN3O3)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 268.97909999999996 0 2 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:.7191,1.0683,.1507;1.8192,-.8467,-.1902;3.1513,-1.4999,-.3634;4.1047,-.4019,.1729;3.3347,.9357,.0517;3.2308,-2.4497,.1805;3.3235,-1.7126,-1.4304;5.0617,-.3754,-.3635;3.5741,1.4876,-.8723;1.9632,.482,.021;.5786,-1.2089,-.2216;-.1136,-.0353,-.0306;4.3265,-.5965,1.2324;3.5051,1.6115,.9011;-1.5242,-.085,-.0204;-2.2861,.9919,-.4824;-2.1574,-1.2478,.435;-3.6764,.9093,-.4621;-3.5461,-1.3198,.4401;-4.3134,-.241,-.0007;.4829,2.5169,.4862;1.4721,3.2106,.5853;-.6156,2.9733,.672;-1.5751,-2.0776,.7776;-1.8044,1.874,-.8493;-5.7413,-.318,.0137;-4.4476,2.0168,-.9348;-4.1845,-2.5103,.9094;-4.4432,-2.3925,2.3108;-5.4451,-2.7069,2.5162;-3.7575,-3.0095,2.8532;-4.3205,-1.373,2.6118;-6.2016,-.8769,-1.2194;-6.7621,-1.7664,-1.0206;-6.8251,-.1673,-1.7219;-5.362,-1.1153,-1.8384;-4.8614,1.7702,-2.2813;-5.9288,1.706,-2.3203;-4.529,2.5706,-2.9088;-4.436,.8495,-2.6222; /usr/local/CompChem/Gaussian/g16/g16 Output=tay_8_rad.log chk=tay_8_rad.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 12 12 12 12 12 1 1 1 1 14 14 14 1 1 12 12 12 12 12 12 11 1 1 1 1 16 16 16 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 11.0093053 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 1 1 1 2 2 2 1 1 0 0 0 0 0 0 3 1 1 1 1 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -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 3 3 3 4 4 4 5 5 5 11 12 15 15 16 16 17 17 18 18 19 19 20 21 21 26 27 28 29 29 29 33 33 33 37 37 37 10 12 21 3 10 11 4 6 7 5 8 13 9 10 14 12 15 16 17 18 25 19 24 20 27 20 28 26 22 23 33 37 29 30 31 32 34 35 36 38 39 40 1.3814 1.3943 1.5055 1.4937 1.353 1.2928 1.5499 1.0974 1.1016 1.5481 1.0974 1.0999 1.1026 1.445 1.0988 1.3759 1.4115 1.3977 1.4001 1.3929 1.07 1.3906 1.07 1.3934 1.43 1.3954 1.43 1.43 1.2123 1.204 1.43 1.43 1.43 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A72 A73 10 10 12 3 3 10 2 2 2 4 4 6 3 3 3 5 5 8 4 4 4 9 9 10 1 1 2 2 1 1 11 12 12 16 15 15 18 15 15 19 16 16 20 17 17 20 18 18 19 1 1 22 20 18 19 28 28 28 30 30 31 26 26 26 34 34 35 27 27 27 38 38 39 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 10 10 10 11 12 12 12 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 26 27 28 29 29 29 29 29 29 33 33 33 33 33 33 37 37 37 37 37 37 12 21 21 10 11 11 4 6 7 6 7 7 5 8 13 8 13 13 9 10 14 10 14 14 2 5 5 12 11 15 15 16 17 17 18 25 25 19 24 24 20 27 27 20 28 28 19 26 26 22 23 23 33 37 29 30 31 32 31 32 32 34 35 36 35 36 36 38 39 40 39 40 40 100.9358 124.7909 134.1698 110.6518 136.9217 112.3995 101.4562 112.6875 109.6386 113.4001 112.0705 107.5583 106.2057 112.6068 109.3917 112.0023 109.1858 107.4091 112.9647 101.6815 113.1858 110.2135 107.8351 110.8985 109.6112 136.0192 114.3691 103.9094 113.1236 128.5945 118.2746 121.0109 118.9179 120.0566 119.5763 120.2118 120.2118 119.7242 120.1379 120.1379 120.6689 119.1815 120.1464 120.5264 119.3511 120.1216 119.4359 120.2832 120.28 116.1558 122.8389 120.993 109.5 109.5 109.5 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 12 12 21 21 10 10 21 21 10 10 12 12 10 10 10 11 11 11 3 3 11 11 3 10 2 2 2 6 6 6 7 7 7 3 3 3 8 8 8 13 13 13 4 4 9 9 14 14 2 2 1 1 11 11 12 12 17 17 12 12 16 16 15 15 25 25 15 15 24 24 16 16 27 27 16 20 17 17 28 28 17 20 18 19 20 20 20 18 18 18 19 19 19 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 11 11 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 26 26 26 27 27 27 28 28 28 10 10 10 10 12 12 12 12 21 21 21 21 3 3 3 3 3 3 10 10 10 10 11 11 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 12 12 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 27 27 20 20 20 20 28 28 26 26 33 33 33 37 37 37 29 29 29 2 5 2 5 11 15 11 15 22 23 22 23 4 6 7 4 6 7 1 5 1 5 12 12 5 8 13 5 8 13 5 8 13 9 10 14 9 10 14 9 10 14 1 2 1 2 1 2 1 15 16 17 16 17 18 25 18 25 19 24 19 24 20 27 20 27 20 28 20 28 19 26 19 26 37 37 18 26 18 26 29 29 33 33 34 35 36 38 39 40 30 31 32 -1.0613 178.6747 175.6921 -4.572 1.4706 -179.5493 -174.8116 4.1686 3.4586 -175.2752 179.0124 0.2786 15.1508 136.747 -103.4942 -166.9652 -45.3689 74.3899 178.7803 -1.0184 0.3432 -179.4555 -177.2872 0.5713 -22.7738 -145.7055 94.9438 -143.8724 93.1959 -26.1548 94.1112 -28.8205 -148.1712 -95.803 22.2838 141.2842 27.5088 145.5955 -95.404 146.3427 -95.5706 23.4299 166.6219 -13.6512 -73.3326 106.3944 46.0048 -134.2682 -1.3176 179.5875 32.8643 -148.5195 -148.2006 30.4155 179.832 -0.168 1.2315 -178.7685 -179.3848 0.6152 -0.7552 179.2448 -0.7491 179.9077 179.2509 -0.0923 -0.2139 -179.8784 179.7861 0.1216 -0.211 -179.8564 179.1259 -0.5195 98.561 -80.7857 0.6959 -179.6587 -179.6422 0.0032 91.1435 -88.5224 91.1252 -88.5172 121.0535 -118.9465 1.0535 116.1954 -123.8046 -3.8046 133.7319 -106.2681 13.7319 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 410 A 389 A 658 410 1673.4682772088 40 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 28 out of a maximum of 218 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00157 0.00248 0.00427 0.00551 0.00905 0.01235 0.01261 0.01443 0.01480 0.01570 0.01596 0.01655 0.01714 0.01943 0.01960 0.02085 0.02116 0.02135 0.02159 0.02266 0.02442 0.02580 0.03015 0.03252 0.03273 0.03423 0.04049 0.05114 0.05173 0.05715 0.05923 0.07148 0.07423 0.08150 0.08360 0.09228 0.10007 0.10120 0.10321 0.10607 0.10710 0.10825 0.10890 0.15571 0.15693 0.15878 0.15978 0.16001 0.16023 0.16098 0.16163 0.16220 0.16581 0.16861 0.17211 0.17761 0.21503 0.21723 0.22564 0.23481 0.23684 0.23789 0.24223 0.24384 0.24691 0.24902 0.24970 0.25027 0.25056 0.25928 0.26370 0.26910 0.27020 0.31388 0.31898 0.32284 0.33339 0.33400 0.33512 0.33694 0.33820 0.33972 0.33972 0.35503 0.37106 0.37147 0.37201 0.37238 0.37272 0.37281 0.37344 0.37358 0.37377 0.37395 0.37664 0.39197 0.40409 0.40946 0.41383 0.42002 0.42459 0.43157 0.43807 0.44397 0.44774 0.45648 0.46802 0.47328 0.48872 0.50386 0.50498 0.54469 0.65981 0.77581 -7.68644941e-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 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 2.61126 2.63528 2.84505 2.82271 2.55667 2.44286 2.92894 2.07379 2.08166 2.92551 2.07382 2.07854 2.08367 2.73012 2.07638 2.59995 2.66587 2.62778 2.64308 2.64528 2.05537 2.62170 2.05682 2.65795 2.55035 2.66287 2.57915 2.57905 2.29151 2.27400 2.67182 2.66036 2.67008 2.07416 2.08554 2.08284 2.07938 2.07437 2.08660 2.07601 2.07499 2.08565 1.76105 2.17652 2.34387 1.93121 2.38965 1.96185 1.77071 1.96688 1.91355 1.97928 1.95588 1.87722 1.85359 1.96553 1.90912 1.95495 1.90553 1.87461 1.97158 1.77464 1.97530 1.92384 1.88183 1.93581 1.91325 2.37363 1.99629 1.81352 1.97477 2.24568 2.06267 2.11176 2.07314 2.09810 2.10545 2.12160 2.05599 2.08155 2.11379 2.08784 2.09079 2.01208 2.17997 2.12052 2.07268 2.08995 2.06990 2.10789 2.10423 2.02467 2.14610 2.11215 2.02834 2.12082 2.00628 1.86719 1.93441 1.94720 1.90220 1.90909 1.90297 1.94661 1.86451 1.93635 1.91310 1.90038 1.90223 1.95810 1.85277 1.94355 1.91103 1.90321 1.89355 -0.01799 3.11774 3.06811 -0.07935 0.02481 -3.12953 -3.05304 0.07581 0.05851 -3.05857 3.12393 0.00685 0.26392 2.38630 -1.80666 -2.91493 -0.79255 1.29767 3.12002 -0.01710 0.00595 -3.13117 -3.09439 0.00949 -0.39725 -2.54307 1.65707 -2.51097 1.62640 -0.45664 1.64270 -0.50312 -2.58616 -1.67220 0.38906 2.46623 0.48027 2.54153 -1.66449 2.55427 -1.66765 0.40952 2.90889 -0.23876 -1.27904 1.85650 0.80382 -2.34384 -0.02214 3.13074 0.55511 -2.60752 -2.59978 0.52078 3.12937 0.00716 0.00911 -3.11310 -3.13238 0.01268 -0.01165 3.13341 -0.00495 3.10988 3.11796 -0.05039 0.01029 -3.12180 -3.13472 0.01638 0.00339 3.09328 -3.10869 -0.01881 2.58032 -0.58959 -0.00618 -3.09618 3.12582 0.03582 1.84722 -1.28504 2.02418 -1.17013 1.07952 -3.11351 -1.04231 1.37452 -2.82189 -0.76424 -3.11585 -1.04415 1.08004 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00003 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00003 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -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 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00002 0.00001 0.00003 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00002 -0.00001 0.00002 0.00002 -0.00000 0.00000 -0.00000 -0.00001 -0.00002 0.00000 -0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -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 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00002 -0.00003 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00003 0.00001 0.00004 -0.00003 -0.00002 0.00000 -0.00000 0.00002 -0.00002 -0.00003 0.00004 0.00002 -0.00001 -0.00000 -0.00002 0.00003 -0.00001 -0.00002 0.00002 -0.00001 0.00000 -0.00000 -0.00002 -0.00002 -0.00002 0.00002 0.00000 0.00004 0.00010 -0.00003 0.00007 -0.00006 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 0.00000 0.00001 0.00001 0.00002 -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 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00003 -0.00000 -0.00010 -0.00008 -0.00006 -0.00004 -0.00000 -0.00001 -0.00002 -0.00003 -0.00004 0.00000 -0.00002 0.00002 0.00004 -0.00015 0.00004 -0.00014 0.00005 0.00008 0.00000 0.00004 -0.00002 -0.00007 0.00019 0.00014 -0.00010 -0.00030 -0.00003 0.00002 -0.00006 -0.00001 -0.00010 -0.00006 0.00026 0.00020 0.00002 0.00001 0.00001 0.00032 0.00030 0.00031 -0.00018 -0.00017 -0.00018 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00002 -0.00002 0.00003 0.00002 0.00001 -0.00000 0.00000 -0.00005 -0.00006 0.00001 -0.00003 -0.00002 0.00000 0.00000 0.00000 -0.00005 -0.00002 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00003 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 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00003 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00002 -0.00001 0.00002 -0.00002 0.00000 -0.00002 -0.00009 0.00010 -0.00002 0.00003 -0.00001 0.00010 0.00004 0.00002 -0.00000 0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00009 -0.00001 -0.00004 -0.00003 0.00000 -0.00002 0.00003 0.00001 -0.00004 0.00005 -0.00002 -0.00003 0.00003 -0.00007 -0.00000 -0.00010 -0.00002 0.00015 0.00002 0.00019 0.00007 -0.00009 0.00002 -0.00014 -0.00003 -0.00004 -0.00004 -0.00006 -0.00006 -0.00006 -0.00005 0.00003 -0.00003 0.00005 0.00004 0.00002 0.00003 0.00003 0.00003 0.00002 0.00003 0.00003 0.00003 0.00003 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 0.00009 -0.00001 0.00009 -0.00001 0.00009 -0.00002 0.00000 -0.00015 -0.00042 -0.00040 -0.00025 -0.00022 0.00001 0.00004 -0.00001 0.00002 -0.00007 0.00002 -0.00005 0.00004 0.00010 -0.00006 0.00007 -0.00010 0.00002 0.00022 -0.00006 0.00013 -0.00012 -0.00028 0.00006 -0.00010 0.00009 -0.00009 0.00006 0.00022 -0.00013 0.00003 -0.00023 -0.00005 0.00023 0.00006 0.00007 0.00007 0.00003 -0.00018 -0.00009 -0.00015 0.00049 0.00048 0.00047 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00002 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00002 -0.00007 0.00003 -0.00001 -0.00002 0.00000 0.00000 -0.00000 -0.00006 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00003 0.00003 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00002 0.00004 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00002 0.00001 -0.00003 0.00003 -0.00003 0.00000 -0.00004 -0.00009 0.00012 -0.00001 0.00003 -0.00001 0.00009 0.00001 0.00004 0.00003 -0.00001 -0.00002 -0.00002 0.00001 0.00000 0.00007 -0.00004 0.00000 -0.00001 -0.00000 -0.00002 0.00002 0.00004 -0.00005 0.00003 0.00000 -0.00004 0.00003 -0.00008 -0.00002 -0.00013 -0.00004 0.00016 0.00002 0.00023 0.00016 -0.00012 0.00009 -0.00020 -0.00004 -0.00004 -0.00004 -0.00007 -0.00007 -0.00008 -0.00004 0.00004 -0.00002 0.00006 0.00003 -0.00001 0.00003 0.00003 0.00003 0.00002 0.00002 0.00003 0.00002 0.00003 0.00003 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00009 -0.00002 0.00009 -0.00002 0.00009 -0.00002 0.00003 -0.00015 -0.00052 -0.00048 -0.00031 -0.00027 0.00001 0.00004 -0.00004 -0.00001 -0.00011 0.00002 -0.00007 0.00007 0.00014 -0.00021 0.00011 -0.00024 0.00007 0.00030 -0.00006 0.00016 -0.00014 -0.00035 0.00025 0.00004 -0.00001 -0.00038 0.00003 0.00025 -0.00019 0.00002 -0.00033 -0.00011 0.00049 0.00027 0.00009 0.00009 0.00004 0.00014 0.00021 0.00016 0.00031 0.00031 0.00029 2.61126 2.63527 2.84506 2.82272 2.55667 2.44286 2.92894 2.07379 2.08166 2.92551 2.07382 2.07854 2.08367 2.73012 2.07638 2.59996 2.66586 2.62776 2.64309 2.64528 2.05537 2.62171 2.05681 2.65793 2.55028 2.66290 2.57913 2.57903 2.29151 2.27400 2.67182 2.66030 2.67007 2.07416 2.08553 2.08284 2.07936 2.07437 2.08660 2.07601 2.07501 2.08564 1.76106 2.17649 2.34390 1.93121 2.38964 1.96185 1.77071 1.96688 1.91354 1.97928 1.95588 1.87722 1.85360 1.96553 1.90912 1.95495 1.90553 1.87460 1.97159 1.77464 1.97530 1.92383 1.88183 1.93582 1.91325 2.37363 1.99630 1.81352 1.97477 2.24568 2.06267 2.11174 2.07317 2.09808 2.10546 2.12159 2.05598 2.08154 2.11381 2.08783 2.09081 2.01209 2.17994 2.12054 2.07265 2.08995 2.06987 2.10780 2.10434 2.02466 2.14613 2.11214 2.02844 2.12084 2.00632 1.86722 1.93440 1.94718 1.90219 1.90910 1.90297 1.94668 1.86446 1.93635 1.91309 1.90037 1.90221 1.95811 1.85281 1.94350 1.91106 1.90321 1.89351 -0.01796 3.11767 3.06809 -0.07947 0.02477 -3.12936 -3.05301 0.07604 0.05867 -3.05869 3.12402 0.00666 0.26389 2.38626 -1.80670 -2.91500 -0.79263 1.29759 3.11998 -0.01706 0.00594 -3.13111 -3.09437 0.00948 -0.39723 -2.54304 1.65710 -2.51094 1.62643 -0.45662 1.64272 -0.50309 -2.58613 -1.67220 0.38905 2.46622 0.48026 2.54152 -1.66449 2.55427 -1.66766 0.40951 2.90899 -0.23878 -1.27894 1.85648 0.80391 -2.34386 -0.02211 3.13059 0.55459 -2.60800 -2.60009 0.52051 3.12937 0.00719 0.00907 -3.11311 -3.13249 0.01270 -0.01172 3.13347 -0.00481 3.10967 3.11808 -0.05063 0.01036 -3.12150 -3.13478 0.01654 0.00325 3.09293 -3.10845 -0.01877 2.58031 -0.58998 -0.00614 -3.09593 3.12562 0.03584 1.84689 -1.28515 2.02467 -1.16987 1.07960 -3.11342 -1.04227 1.37467 -2.82168 -0.76407 -3.11554 -1.04384 1.08034 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000006 0.001457 0.000354 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.655257e-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 3 3 3 4 4 4 5 5 5 11 12 15 15 16 16 17 17 18 18 19 19 20 21 21 26 27 28 29 29 29 33 33 33 37 37 37 10 12 21 3 10 11 4 6 7 5 8 13 9 10 14 12 15 16 17 18 25 19 24 20 27 20 28 26 22 23 33 37 29 30 31 32 34 35 36 38 39 40 1.3818 1.3945 1.5055 1.4937 1.3529 1.2927 1.5499 1.0974 1.1016 1.5481 1.0974 1.0999 1.1026 1.4447 1.0988 1.3758 1.4107 1.3906 1.3987 1.3998 1.0877 1.3873 1.0884 1.4065 1.3496 1.4091 1.3648 1.3648 1.2126 1.2033 1.4139 1.4078 1.4129 1.0976 1.1036 1.1022 1.1004 1.0977 1.1042 1.0986 1.098 1.1037 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A72 A73 10 10 12 3 3 10 2 2 2 4 4 6 3 3 3 5 5 8 4 4 4 9 9 10 1 1 2 2 1 1 11 12 12 16 15 15 18 15 15 19 16 16 20 17 17 20 18 18 19 1 1 22 20 18 19 28 28 28 30 30 31 26 26 26 34 34 35 27 27 27 38 38 39 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 10 10 10 11 12 12 12 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 26 27 28 29 29 29 29 29 29 33 33 33 33 33 33 37 37 37 37 37 37 12 21 21 10 11 11 4 6 7 6 7 7 5 8 13 8 13 13 9 10 14 10 14 14 2 5 5 12 11 15 15 16 17 17 18 25 25 19 24 24 20 27 27 20 28 28 19 26 26 22 23 23 33 37 29 30 31 32 31 32 32 34 35 36 35 36 36 38 39 40 39 40 40 100.901 124.7053 134.2941 110.65 136.9167 112.4057 101.4542 112.6937 109.6383 113.4044 112.0635 107.557 106.2031 112.6168 109.3843 112.0105 109.1789 107.407 112.9635 101.6792 113.1763 110.2277 107.8208 110.914 109.6209 135.9992 114.3792 103.9072 113.146 128.6681 118.1821 120.9948 118.7819 120.2123 120.6333 121.5585 117.7993 119.264 121.1114 119.6243 119.7936 115.2837 124.9031 121.4968 118.7558 119.7451 118.5966 120.773 120.5634 116.0052 122.9624 121.0173 116.2154 121.5142 114.9516 106.9822 110.8334 111.5661 108.9883 109.3828 109.0323 111.5325 106.8283 110.9447 109.6128 108.8835 108.9899 112.1907 106.1557 111.3571 109.4941 109.0459 108.4924 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 12 12 21 21 10 10 21 21 10 10 12 12 10 10 10 11 11 11 3 3 11 11 3 10 2 2 2 6 6 6 7 7 7 3 3 3 8 8 8 13 13 13 4 4 9 9 14 14 2 2 1 1 11 11 12 12 17 17 12 12 16 16 15 15 25 25 15 15 24 24 16 16 27 27 16 20 17 17 28 28 17 20 18 19 20 20 20 18 18 18 19 19 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 11 11 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 26 26 26 27 27 27 28 28 10 10 10 10 12 12 12 12 21 21 21 21 3 3 3 3 3 3 10 10 10 10 11 11 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 12 12 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 27 27 20 20 20 20 28 28 26 26 33 33 33 37 37 37 29 29 2 5 2 5 11 15 11 15 22 23 22 23 4 6 7 4 6 7 1 5 1 5 12 12 5 8 13 5 8 13 5 8 13 9 10 14 9 10 14 9 10 14 1 2 1 2 1 2 1 15 16 17 16 17 18 25 18 25 19 24 19 24 20 27 20 27 20 28 20 28 19 26 19 26 37 37 18 26 18 26 29 29 33 33 34 35 36 38 39 40 30 31 -1.0308 178.6334 175.7896 -4.5462 1.4214 -179.3088 -174.9261 4.3438 3.3523 -175.2432 178.9882 0.3928 15.1217 136.7249 -103.5141 -167.013 -45.4099 74.3511 178.7641 -0.9799 0.3412 -179.4028 -177.2958 0.5435 -22.761 -145.7073 94.9433 -143.8679 93.1859 -26.1636 94.1196 -28.8266 -148.1761 -95.8102 22.2915 141.3044 27.5172 145.6189 -95.3682 146.3491 -95.5492 23.4637 166.6672 -13.68 -73.2834 106.3694 46.0553 -134.2919 -1.2686 179.3781 31.8053 -149.4 -148.9564 29.8383 179.2995 0.4102 0.5219 -178.3674 -179.472 0.7266 -0.6676 179.531 -0.2839 178.1828 178.6462 -2.8872 0.5894 -178.866 -179.6061 0.9385 0.1944 177.2318 -178.115 -1.0776 147.8414 -33.7812 -0.354 -177.3978 179.0961 2.0523 105.8378 -73.6273 115.9772 -67.0437 61.8518 -178.3909 -59.72 78.7544 -161.6822 -43.7876 -178.5253 -59.8255 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0299759918 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:.7191,1.0683,.1507;1.8192,-.8467,-.1902;3.1513,-1.4999,-.3634;4.1047,-.4019,.1729;3.3347,.9357,.0517;3.2308,-2.4497,.1805;3.3235,-1.7125,-1.4304;5.0617,-.3754,-.3635;3.5741,1.4876,-.8723;1.9632,.482,.0211;.5786,-1.2089,-.2216;-.1136,-.0353,-.0306;4.3265,-.5965,1.2324;3.5051,1.6114,.9011;-1.5242,-.085,-.0204;-2.2861,.9918,-.4824;-2.1574,-1.2478,.435;-3.6764,.9093,-.462;-3.5461,-1.3198,.4401;-4.3134,-.241,-.0007;.4829,2.5169,.4862;1.4721,3.2106,.5853;-.6156,2.9733,.672;-1.5751,-2.0776,.7776;-1.8044,1.874,-.8493;-5.7413,-.318,.0137;-4.4476,2.0168,-.9348;-4.1845,-2.5103,.9094;-4.4432,-2.3925,2.3108;-5.4451,-2.7069,2.5163;-3.7575,-3.0095,2.8532;-4.3205,-1.373,2.6118;-6.2016,-.8769,-1.2194;-6.7621,-1.7664,-1.0206;-6.8252,-.1673,-1.7219;-5.362,-1.1153,-1.8384;-4.8614,1.7702,-2.2813;-5.9288,1.706,-2.3203;-4.529,2.5706,-2.9088;-4.436,.8495,-2.6222; 0.000000 2.234647 0.000000 3.574303 1.493689 0.000000 3.691073 2.356462 1.549896 0.000000 2.620862 2.352003 2.477488 1.548070 0.000000 4.322752 2.167912 1.097392 2.226528 3.389444 0.000000 4.125032 2.133194 1.101558 2.213285 3.034740 1.773994 0.000000 4.605092 3.281096 2.216771 1.097392 2.207648 2.819715 2.438763 0.000000 3.061627 2.998956 3.059938 2.223534 1.102575 4.090120 3.258129 2.437772 0.000000 1.381424 1.353015 2.342501 2.321688 1.444958 3.198010 2.961936 3.237865 2.098695 0.000000 2.311753 1.292800 2.592950 3.638677 3.502867 2.955566 3.041212 4.562094 4.082622 2.198881 0.000000 1.394319 2.102325 3.593831 4.239074 3.583364 4.130310 4.072639 5.197144 4.077624 2.140858 1.375945 0.000000 4.117675 2.893642 2.178064 1.099894 2.173803 2.396187 3.056540 1.770959 3.056075 2.866359 4.066476 4.650287 0.000000 2.936014 3.174215 3.377080 2.223328 1.098764 4.133729 4.064215 2.823058 1.779058 2.104251 4.216590 4.083522 2.378954 0.000000 2.528217 3.433295 4.896922 5.641102 4.965504 5.314360 5.304420 6.601215 5.402946 3.533424 2.392815 1.411506 6.005206 5.387181 0.000000 3.072112 4.507684 5.982333 6.573716 5.646413 6.536071 6.299187 7.474857 5.894053 4.309264 3.621894 2.445149 7.013587 5.986361 1.397699 0.000000 3.703942 4.045391 5.374279 6.324357 5.922632 5.526478 5.808210 7.315286 6.483938 4.488029 2.813950 2.421557 6.565158 6.360564 1.400113 2.423667 0.000000 4.440858 5.775747 7.240958 7.916274 7.029973 7.707497 7.537240 8.832578 7.285109 5.676344 4.759196 3.711035 8.317797 7.343433 2.411563 1.392909 2.786590 0.000000 4.896840 5.422952 6.747861 7.710311 7.251505 6.875403 7.130544 8.696682 7.765445 5.811594 4.178978 3.695111 7.945439 7.650194 2.413501 2.789719 1.390638 2.408263 0.000000 5.202242 6.165409 7.578822 8.421421 7.738302 7.863018 7.907705 9.383090 8.121630 6.318135 4.991788 4.204947 8.734760 8.085468 2.793639 2.421130 2.419115 1.393430 1.395353 0.000000 1.505532 3.681931 4.896590 4.662024 3.289673 5.684328 5.443348 5.482029 3.529934 2.558971 3.793638 2.671354 5.002350 3.182145 3.324889 3.306208 4.598504 4.558852 5.563739 5.554021 0.000000 2.312017 4.145308 5.090081 4.488958 2.988247 5.941105 5.632784 5.161895 3.084112 2.829324 4.580611 3.664637 4.802172 2.605856 4.495120 4.492983 5.750936 5.735867 6.762298 6.762325 1.212304 0.000000 2.383725 4.611285 5.938955 5.824264 4.487985 6.666768 6.472522 6.672182 4.705948 3.644251 4.440239 3.130000 6.122291 4.346032 3.264687 2.837087 4.500070 3.861919 5.203099 4.945445 1.203991 2.102968 0.000000 3.943701 3.738105 4.896376 5.952616 5.806293 4.857166 5.385608 6.945974 6.476674 4.432057 2.528153 2.638204 6.101642 6.279581 2.146992 3.393273 1.070000 3.856588 2.138447 3.387797 5.042709 6.106343 5.142241 0.000000 2.831525 4.579036 6.014896 6.414217 5.301249 6.716344 6.284636 7.241527 5.392455 4.109779 3.946866 2.678549 6.930084 5.596845 2.145593 1.070000 3.394095 2.141271 3.859654 3.389450 2.725545 3.818402 2.221698 4.279551 0.000000 6.608855 7.581710 8.978692 9.847589 9.162250 9.223367 9.284386 10.809695 9.530039 7.745876 6.386728 5.634929 10.145137 9.487184 4.223633 3.728275 3.726442 2.448711 2.450333 1.430000 6.855638 8.050502 6.126824 4.586551 4.587866 0.000000 5.364070 6.930184 8.392710 8.956503 7.918786 8.952787 8.633868 9.822239 8.039429 6.660927 6.014758 4.879787 9.408108 8.172020 3.714866 2.434639 4.216538 1.430000 3.719691 2.447031 5.155524 6.227301 4.263919 5.286528 2.648441 2.832727 0.000000 6.117780 6.326291 7.513664 8.584796 8.315609 7.451335 7.904504 9.574466 8.908093 6.894709 5.065601 4.856083 8.729569 8.724670 3.718010 4.219696 2.434800 3.719164 1.430000 2.448387 6.872832 8.051777 6.546951 2.648332 5.289610 2.834024 4.895343 0.000000 6.579718 6.918329 8.100910 9.033267 8.756539 7.964445 8.647588 10.077891 9.458615 7.385640 5.747442 5.457500 9.016502 9.010858 4.390881 4.889700 3.170855 4.379343 2.335595 3.160587 7.190113 8.328483 6.791748 3.267414 5.929017 3.356409 5.475056 1.430000 0.000000 7.605635 7.972249 9.145919 10.099682 9.819807 8.988557 9.667139 11.141017 10.508253 8.442644 6.784222 6.484538 10.079082 10.068002 5.355621 5.714212 4.155738 5.007538 3.136966 3.700921 8.157844 9.305595 7.680490 4.289065 6.750329 3.472380 5.934492 2.051796 1.070000 0.000000 6.631099 6.711209 7.768963 8.706193 8.585604 7.502899 8.376856 9.750064 9.373151 7.275821 5.612351 5.517246 8.590782 8.826662 4.668783 5.413088 3.392878 5.133582 2.953362 4.014753 7.356900 8.436936 7.100860 3.152674 6.432076 4.386551 6.331528 2.051796 1.070000 1.747303 0.000000 6.116745 6.769406 8.043355 8.824695 8.395657 8.005809 8.653616 9.893091 9.091062 7.045408 5.661858 5.144871 8.790751 8.548376 4.050524 4.393790 3.071371 3.882287 2.306191 2.847228 6.536222 7.659711 6.031538 3.376048 5.371536 3.143512 4.907691 2.051796 1.070000 1.747303 1.747303 0.000000 7.318298 8.086666 9.412647 10.410751 9.789939 9.664589 9.564000 11.306905 10.063619 8.369544 6.861308 6.259833 10.813528 10.242558 4.893144 4.400776 4.385261 3.184466 3.162572 2.335595 7.688261 8.879802 7.043056 5.180167 5.199997 1.430000 3.395721 3.356814 4.225142 4.228055 5.206467 4.296826 0.000000 8.085566 8.670364 9.938760 11.016973 10.507017 10.088036 10.094065 11.923474 10.837371 9.070353 7.405122 6.941166 11.375568 10.978161 5.591354 5.285127 4.857105 4.122258 3.560313 3.059967 8.550266 9.754604 7.944113 5.498677 6.153127 2.051796 4.435850 3.304866 4.107068 3.889533 5.057564 4.394360 1.070000 0.000000 7.870778 8.805284 10.156334 11.095328 10.372324 10.485766 10.269733 11.966017 10.564336 8.982996 7.625740 6.922629 11.544380 10.805522 5.567933 4.845929 5.254323 3.558209 4.093259 3.045782 8.092443 9.250820 7.358798 6.120429 5.489625 2.051796 3.322971 4.402971 5.185415 5.129946 6.198368 5.148586 1.070000 1.747303 0.000000 6.760537 7.372865 8.648719 9.704256 9.133030 8.927129 8.715562 10.553508 9.357515 7.724475 6.157447 5.655137 10.176818 9.673001 4.369830 3.967395 3.931374 2.972311 2.920804 2.289376 7.263555 8.443526 6.748834 4.702149 4.750881 2.051796 3.385626 3.298913 4.437564 4.637180 5.307856 4.577706 1.070000 1.747303 1.747303 0.000000 6.127746 7.473371 8.864272 9.546265 8.562445 9.452624 8.935638 10.331952 8.557039 7.316768 6.535391 5.555787 10.117589 8.952763 4.437362 3.236357 4.878328 2.335595 4.322514 3.089656 6.064458 7.099655 5.309956 5.912829 3.377323 3.225146 1.430000 5.381511 6.212127 6.587979 7.101133 5.840748 3.151336 4.208282 2.814776 2.961889 0.000000 7.120866 8.431173 9.826235 10.551247 9.593319 10.364454 9.903642 11.355674 9.615039 8.322433 7.432861 6.487738 11.094802 9.969213 5.281795 4.142098 5.526289 3.026721 4.738402 3.432270 7.045784 8.091912 6.228093 6.547251 4.382023 3.095036 2.051796 5.590166 6.360202 6.565056 7.329025 6.032605 2.820963 3.800174 2.161180 2.917713 1.070000 0.000000 6.257845 7.705124 9.057373 9.637082 8.560149 9.744895 9.066039 10.350834 8.425038 7.422623 6.898855 5.879683 10.276266 8.943357 4.942080 3.662067 5.602308 3.077923 5.226545 4.050718 6.053768 6.973650 5.319666 6.627262 3.485702 4.284206 2.051796 6.364925 7.203088 7.623812 8.058073 6.787668 4.187708 5.230835 3.765201 3.927519 1.070000 1.747303 0.000000 5.857640 6.922369 8.257660 9.073105 8.218329 8.804537 8.257947 9.839108 8.223815 6.933339 5.928430 5.116852 9.681476 8.721009 4.015097 3.036621 4.351662 2.290584 3.856874 2.841868 6.052884 7.125190 5.473315 5.320783 3.334345 3.164584 2.051796 4.880883 5.902995 6.330077 6.732848 5.687461 2.840003 3.849525 2.748149 2.309146 1.070000 1.747303 1.747303 0.000000 C14H19BN3O3(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 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:-2.3563,-.9185,.6121;-3.3573,.6608,-.6116;-4.6517,1.1941,-1.1326;-5.6727,.4751,-.2146;-4.9576,-.7897,.3196;-4.7113,2.2885,-1.0776;-4.7716,.9074,-2.1894;-6.6077,.2302,-.7342;-5.1837,-1.6933,-.2705;-3.5674,-.4273,.1647;-2.1019,.9441,-.7334;-1.4696,-.0323,.0016;-5.928,1.1303,.6312;-5.1911,-1.0072,1.371;-.0598,-.0129,.0663;.6723,-1.1983,.1792;.6048,1.2168,-.0137;2.0629,-1.1446,.2372;1.9941,1.2542,.0354;2.7306,.0766,.1682;-2.1971,-2.0658,1.5739;-3.2188,-2.6198,1.9187;-1.1278,-2.4127,2.005;.0461,2.124,-.1123;.1676,-2.1409,.2207;4.1587,.1218,.2255;2.8034,-2.3623,.3546;2.6645,2.5148,-.0445;2.8616,3.0349,1.273;3.8673,3.387,1.3706;2.1824,3.8441,1.4422;2.6827,2.2627,1.9917;4.6919,.0563,-1.0998;5.2823,.9281,-1.2902;5.3035,-.8165,-1.1954;3.8889,.0082,-1.8053;3.281,-2.7567,-.9343;4.3508,-2.7394,-.9389;2.9394,-3.7467,-1.1536;2.9101,-2.0792,-1.6748; 0.6274154 0.1607674 0.1381846 -19.26714 -19.26669 -19.26634 -14.53469 -14.51299 -14.47739 -10.38020 -10.36433 -10.36010 -10.35995 -10.35874 -10.35422 -10.35395 -10.34003 -10.33534 -10.33495 -10.33277 -10.33079 -10.30363 -10.30323 -6.81396 -1.19408 -1.13885 -1.12351 -1.10961 -1.07259 -0.97636 -0.94588 -0.91558 -0.85131 -0.84098 -0.83946 -0.79021 -0.78158 -0.77519 -0.75561 -0.72892 -0.70906 -0.68474 -0.68158 -0.63993 -0.62233 -0.61039 -0.60196 -0.59637 -0.57223 -0.56842 -0.56588 -0.55983 -0.55534 -0.53943 -0.53803 -0.53628 -0.53269 -0.52827 -0.52094 -0.51639 -0.50700 -0.48635 -0.47915 -0.47768 -0.47399 -0.45036 -0.43828 -0.43565 -0.42177 -0.41763 -0.40843 -0.40254 -0.38399 -0.38117 -0.36038 -0.35349 -0.34998 -0.32555 -0.31699 -0.21817 0.05004 0.05990 0.08704 0.11611 0.12218 0.12948 0.15107 0.15713 0.16356 0.16836 0.17560 0.18410 0.18932 0.19447 0.20565 0.20649 0.20846 0.21013 0.21421 0.21810 0.22522 0.23167 0.23610 0.23691 0.24137 0.24636 0.25098 0.26505 0.27146 0.27831 0.28308 0.30068 0.30685 0.30840 0.31900 0.33695 0.34773 0.35746 0.36442 0.38188 0.38722 0.39359 0.40192 0.40910 0.42961 0.44596 0.45255 0.46010 0.46528 0.46951 0.48458 0.49666 0.50252 0.51545 0.52766 0.53004 0.54098 0.54168 0.54708 0.56016 0.56066 0.56571 0.57337 0.57987 0.58796 0.59408 0.59777 0.62377 0.63286 0.64767 0.65740 0.66322 0.67521 0.67878 0.68333 0.69176 0.69412 0.70881 0.71001 0.71856 0.72045 0.72608 0.72893 0.73159 0.73663 0.74054 0.74330 0.74827 0.74897 0.75053 0.75918 0.76615 0.76658 0.76861 0.77374 0.77554 0.77625 0.78486 0.78755 0.79527 0.80123 0.80890 0.81949 0.82464 0.83586 0.83903 0.84637 0.85542 0.87325 0.89087 0.90059 0.90503 0.92905 0.94313 0.94843 0.95257 0.95839 0.97912 0.99781 1.01085 1.02990 1.04829 1.06016 1.06818 1.07947 1.09172 1.09663 1.11718 1.12452 1.13771 1.14934 1.15894 1.16198 1.18510 1.19533 1.22802 1.24095 1.26201 1.27930 1.29835 1.30644 1.32342 1.33036 1.34885 1.36756 1.38134 1.38292 1.39877 1.40418 1.42389 1.44085 1.45147 1.45816 1.46176 1.46650 1.49038 1.51796 1.52444 1.53126 1.54269 1.57233 1.58302 1.59760 1.60637 1.61525 1.61795 1.64146 1.65317 1.65510 1.67926 1.68270 1.69376 1.70641 1.70767 1.72962 1.74035 1.75814 1.77825 1.78261 1.79649 1.80127 1.80671 1.81429 1.82073 1.83592 1.83957 1.84262 1.84657 1.85411 1.85766 1.86232 1.87229 1.87405 1.88086 1.89240 1.89303 1.90101 1.90556 1.91639 1.91689 1.92317 1.93600 1.94189 1.95287 1.95883 1.97049 1.97761 1.98038 1.98354 1.98947 2.01058 2.01318 2.02169 2.03959 2.05889 2.07126 2.07921 2.10311 2.10695 2.11547 2.12584 2.12832 2.14513 2.15417 2.16674 2.17683 2.22193 2.23715 2.25647 2.26597 2.28620 2.29811 2.31014 2.32017 2.32215 2.33479 2.34420 2.34877 2.35842 2.36392 2.37481 2.38380 2.41327 2.42697 2.43503 2.45284 2.46178 2.47354 2.47856 2.48858 2.49447 2.51003 2.52980 2.53633 2.56006 2.58060 2.61506 2.63161 2.65163 2.67486 2.69954 2.70326 2.71057 2.72068 2.73028 2.75041 2.77909 2.80459 2.80789 2.82292 2.82402 2.83127 2.83344 2.85750 2.86596 2.88397 2.89033 2.92707 2.94174 2.95273 2.97551 2.98450 2.99402 2.99769 3.00350 3.02021 3.02476 3.05745 3.07438 3.09189 3.10570 3.11760 3.12209 3.13195 3.13440 3.14480 3.16070 3.18602 3.20199 3.22697 3.25944 3.29228 3.33959 3.35933 3.41707 3.44553 3.48188 3.52625 3.57772 3.61503 3.64673 3.84046 -19.26711 -19.26670 -19.26635 -14.53060 -14.51027 -14.47592 -10.38095 -10.36450 -10.36042 -10.36026 -10.35720 -10.35479 -10.35340 -10.34000 -10.33534 -10.33497 -10.33272 -10.33081 -10.30304 -10.30268 -6.81094 -1.18909 -1.13874 -1.12362 -1.10953 -1.06673 -0.97368 -0.94367 -0.91367 -0.85034 -0.83969 -0.83855 -0.78906 -0.78130 -0.77447 -0.75306 -0.72593 -0.70795 -0.68301 -0.68007 -0.63612 -0.61858 -0.60436 -0.59927 -0.59484 -0.56941 -0.56614 -0.56291 -0.55697 -0.55047 -0.53952 -0.53746 -0.53405 -0.53118 -0.52708 -0.52051 -0.51622 -0.50630 -0.48403 -0.47763 -0.47665 -0.47219 -0.44860 -0.43700 -0.43066 -0.42095 -0.41740 -0.40479 -0.38837 -0.37997 -0.36245 -0.36000 -0.35336 -0.34988 -0.32358 -0.30745 -0.00430 0.05871 0.06205 0.09313 0.11653 0.12923 0.14275 0.15599 0.16104 0.16396 0.16840 0.17548 0.18428 0.19083 0.19526 0.20589 0.20783 0.20916 0.21149 0.21478 0.21817 0.22729 0.23187 0.23691 0.23732 0.24172 0.24681 0.25278 0.26523 0.27233 0.28291 0.28373 0.30139 0.30737 0.30971 0.32139 0.33696 0.34867 0.35862 0.36586 0.38455 0.38859 0.39497 0.40381 0.41082 0.43460 0.44757 0.45679 0.46070 0.46604 0.47102 0.49620 0.49721 0.50333 0.51667 0.52808 0.53081 0.54210 0.54358 0.54870 0.56028 0.56141 0.56609 0.57353 0.58058 0.58885 0.59598 0.59821 0.62486 0.63372 0.64830 0.65842 0.66457 0.67601 0.67963 0.68345 0.69274 0.69503 0.70931 0.71035 0.71923 0.72211 0.72653 0.73012 0.73200 0.73684 0.74076 0.74450 0.74953 0.75054 0.75083 0.75970 0.76635 0.76711 0.76888 0.77431 0.77588 0.77668 0.78542 0.78839 0.79594 0.80224 0.80960 0.82055 0.82490 0.83867 0.84048 0.84893 0.85685 0.87751 0.89287 0.90182 0.90587 0.93170 0.94600 0.95149 0.95352 0.96073 0.98545 0.99918 1.01521 1.03165 1.05189 1.06351 1.07131 1.08123 1.09264 1.10488 1.11897 1.12674 1.14092 1.15278 1.16174 1.16376 1.18700 1.20265 1.22925 1.24594 1.26383 1.28246 1.29900 1.30791 1.32580 1.33169 1.35109 1.36838 1.38303 1.38325 1.39993 1.40846 1.42428 1.44257 1.45319 1.45946 1.46614 1.47861 1.49270 1.51865 1.52572 1.53581 1.54393 1.57501 1.58331 1.59853 1.60836 1.61716 1.62004 1.64224 1.65345 1.65624 1.68019 1.68326 1.69590 1.70733 1.70943 1.73024 1.74075 1.76416 1.77871 1.78303 1.79741 1.80171 1.80717 1.81489 1.82108 1.83675 1.84038 1.84322 1.84710 1.85432 1.85803 1.86328 1.87427 1.87602 1.88200 1.89298 1.89352 1.90162 1.90586 1.91698 1.91747 1.92341 1.93969 1.94254 1.95325 1.96167 1.97286 1.97865 1.98223 1.98701 1.99395 2.01112 2.01581 2.02206 2.04220 2.05955 2.07276 2.08026 2.10538 2.10810 2.11714 2.12666 2.13040 2.14786 2.15608 2.16828 2.17772 2.22422 2.23802 2.25685 2.26639 2.28664 2.29854 2.31112 2.32206 2.32398 2.33633 2.34549 2.35081 2.35938 2.36503 2.37565 2.38464 2.41499 2.42909 2.43622 2.45426 2.46265 2.47382 2.47875 2.48949 2.49500 2.51144 2.53105 2.53897 2.56158 2.58375 2.61787 2.63502 2.65455 2.67591 2.70065 2.70458 2.71395 2.72194 2.73086 2.75165 2.78288 2.80716 2.81241 2.82295 2.82416 2.83138 2.83519 2.86019 2.86948 2.88509 2.89645 2.92765 2.94590 2.95385 2.97651 2.98502 2.99423 2.99828 3.00351 3.02082 3.02661 3.05775 3.07646 3.09206 3.10834 3.11783 3.12210 3.13213 3.13535 3.14807 3.16080 3.18621 3.20238 3.22887 3.26140 3.29272 3.34078 3.35956 3.41798 3.44660 3.48319 3.52750 3.57793 3.61517 3.64895 3.84074 2-A. -4.3429 1.8130 -3.1116 5.6418 -91.2250 -126.4648 -125.9233 -6.1761 -1.6495 13.8410 23.3127 -11.9271 -11.3856 -6.1761 -1.6495 13.8410 -117.8522 36.5858 -21.0520 28.7049 18.7428 -60.1005 23.6544 18.0847 -12.7177 17.9651 -6828.9401 -1865.6789 -594.5872 -92.5914 -56.6490 -81.7042 136.6232 53.5258 53.6649 -1583.9967 -1363.1771 -424.7060 99.7328 44.0577 -22.5423 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:.8582,1.0538,.0905;1.9401,-.8919,-.1074;3.2674,-1.5723,-.1892;4.2147,-.4629,.3343;3.473,.8779,.1139;3.3073,-2.4951,.4035;3.4823,-1.8401,-1.2359;5.1946,-.477,-.1598;3.7615,1.38,-.8245;2.097,.4432,.0453;.6963,-1.2372,-.1766;.0162,-.0457,-.0733;4.387,-.6079,1.4109;3.6181,1.5925,.9359;-1.3932,-.0761,-.1284;-2.1122,.9894,-.6588;-2.061,-1.2128,.3385;-3.5098,.9451,-.7231;-3.4463,-1.2579,.2789;-4.1955,-.1894,-.2528;.6345,2.5211,.3424;1.6332,3.2002,.4513;-.4607,3.0061,.4577;-1.5124,-2.0583,.7495;-1.6141,1.8727,-1.0521;-5.5596,-.2312,-.254;-4.0993,2.0519,-1.222;-4.0886,-2.3623,.7589;-4.742,-2.1802,1.9984;-5.1867,-3.1459,2.2713;-4.0233,-1.8818,2.7809;-5.5356,-1.4184,1.9299;-6.1539,-1.2058,-1.0882;-5.868,-2.2246,-.786;-7.2408,-1.0849,-.9938;-5.8654,-1.0517,-2.1428;-5.2981,1.9797,-1.9565;-6.1763,1.8631,-1.3069;-5.3748,2.925,-2.51;-5.2749,1.1494,-2.6832; 0.000000 2.235037 0.000000 3.574707 1.493716 0.000000 3.691336 2.356474 1.549927 0.000000 2.620817 2.351861 2.477506 1.548114 0.000000 4.323225 2.168020 1.097403 2.226616 3.389491 0.000000 4.125442 2.133220 1.101565 2.213231 3.034752 1.773995 0.000000 4.605404 3.281216 2.216942 1.097419 2.207810 2.819878 2.438880 0.000000 3.061470 2.998844 3.060038 2.223603 1.102633 4.090248 3.258215 2.437999 0.000000 1.381818 1.352932 2.342432 2.321503 1.444717 3.197897 2.962023 3.237855 2.098706 0.000000 2.312137 1.292707 2.592845 3.638661 3.502630 2.955711 3.040911 4.562093 4.082228 2.198814 0.000000 1.394530 2.102132 3.593663 4.238911 3.583040 4.130216 4.072498 5.197070 4.077278 2.140787 1.375834 0.000000 4.117821 2.893575 2.178010 1.099914 2.173768 2.396202 3.056466 1.770973 3.056118 2.865939 4.066561 4.650043 0.000000 2.936256 3.174337 3.377137 2.223260 1.098776 4.133827 4.064211 2.822881 1.778953 2.104239 4.216815 4.083627 2.378829 0.000000 2.528478 3.431746 4.895198 5.640241 4.964749 5.313105 5.301689 6.600000 5.401380 3.532848 2.390887 1.410720 6.005169 5.387889 0.000000 3.064167 4.501662 5.976864 6.567023 5.639537 6.530052 6.295801 7.469163 5.888980 4.302502 3.616358 2.438068 7.005305 5.978526 1.390560 0.000000 3.704148 4.038663 5.366480 6.320382 5.920072 5.519716 5.796536 7.309794 6.478919 4.485225 2.805104 2.417930 6.564438 6.362272 1.398656 2.418115 0.000000 4.444530 5.784116 7.249353 7.922741 7.033182 7.718674 7.543851 8.837793 7.285018 5.681464 4.769984 3.719753 8.326182 7.347006 2.424218 1.399820 2.807661 0.000000 4.889614 5.412668 6.737321 7.702399 7.243379 6.867163 7.116079 8.687197 7.754234 5.803157 4.167636 3.685409 7.941292 7.646053 2.403758 2.776624 1.387345 2.421007 0.000000 5.215651 6.177394 7.590151 8.435108 7.751096 7.876475 7.914457 9.394904 8.130349 6.331197 5.003305 4.217888 8.752198 8.101813 2.807348 2.427839 2.439899 1.406527 1.409131 0.000000 1.505537 3.681831 4.896003 4.660765 3.287769 5.684189 5.442492 5.480413 3.527286 2.558323 3.794473 2.672773 5.001356 3.180589 3.328448 3.300445 4.605232 4.560128 5.562218 5.570433 0.000000 2.310407 4.141475 5.085037 4.482899 2.981869 5.936412 5.627612 5.155403 3.077406 2.825083 4.578470 3.664140 4.796407 2.599797 4.497673 4.488672 5.756273 5.737238 6.760629 6.779277 1.212613 0.000000 2.384561 4.612826 5.939632 5.823184 4.485722 6.668152 6.473099 6.670499 4.702701 3.644267 4.443714 3.134153 6.121258 4.343197 3.273055 2.835681 4.513813 3.865134 5.208415 4.966316 1.203350 2.102932 0.000000 3.967210 3.743592 4.895228 5.959660 5.820637 4.851821 5.379197 6.950586 6.489424 4.447567 2.531822 2.657819 6.110901 6.299570 2.171193 3.410527 1.088420 3.895998 2.145277 3.419994 5.074037 6.134755 5.180653 0.000000 2.844045 4.600875 6.036667 6.430576 5.312980 6.739175 6.308024 7.257751 5.402882 4.125515 3.971877 2.701093 6.944944 5.604096 2.167900 1.087656 3.413821 2.136031 3.863856 3.399215 2.724183 3.816745 2.212339 4.325371 0.000000 6.554249 7.530204 8.928502 9.794769 9.107904 9.174962 9.236222 10.757396 9.476481 7.692060 6.336744 5.581761 10.091962 9.432454 4.171212 3.679441 3.681709 2.409399 2.409163 1.364775 6.804249 8.000529 6.081538 4.552504 4.542079 0.000000 5.224566 6.810531 8.274643 8.824381 7.778368 8.841696 8.522211 9.690191 7.899454 6.525959 5.908380 4.759872 9.274877 8.026524 3.612132 2.322632 4.153139 1.349587 3.692418 2.443768 5.007620 6.081143 4.119594 5.241444 2.497466 2.877851 0.000000 6.048763 6.265633 7.458765 8.528402 8.251901 7.405655 7.846637 9.517142 8.839445 6.829485 5.003638 4.786285 8.679755 8.664010 3.644138 4.141314 2.368396 3.670231 1.364825 2.399328 6.806587 7.985971 6.486339 2.594118 5.228648 2.780593 4.838374 0.000000 6.742497 7.123560 8.324974 9.270497 8.966097 8.211876 8.843911 10.309933 9.641221 7.580837 5.932547 5.611459 9.282003 9.233293 4.490606 4.901365 3.298307 4.323482 2.342259 3.054510 7.331593 8.484460 6.899372 3.464837 5.959519 3.088755 5.356763 1.412945 0.000000 7.676812 7.844082 8.944300 9.966786 9.789588 8.721245 9.442214 10.991056 10.494598 8.419521 6.651654 6.494449 9.941614 10.087577 5.438113 5.927808 4.152365 5.339913 3.250090 4.011818 8.349973 9.491891 7.966862 4.122991 6.999641 3.874522 6.356326 2.026588 1.097597 0.000000 6.299579 6.699562 7.878470 8.710002 8.421629 7.730828 8.512865 9.777001 9.178261 7.095559 5.606823 5.275884 8.615776 8.594492 4.317671 4.871144 3.203615 4.531377 2.642388 3.478139 6.857661 7.952979 6.479280 3.234518 5.881572 3.780953 5.612786 2.079321 1.103622 1.791919 0.000000 7.097614 7.766243 9.055752 9.926158 9.472433 9.038078 9.566711 10.972244 10.092259 8.079246 6.580799 6.059663 9.969139 9.687301 4.816482 4.921286 3.827235 4.090059 2.667736 2.840920 7.490716 8.655060 6.891910 4.241361 5.924739 2.485878 4.903135 2.087130 1.102191 1.795141 1.796147 0.000000 7.460875 8.159244 9.471121 10.492062 9.922926 9.664439 9.658104 11.409664 10.250371 8.490044 6.910631 6.359645 10.849506 10.364287 4.986168 4.619380 4.334421 3.427942 3.033540 2.359326 7.875212 9.078667 7.248613 5.064298 5.485308 1.413865 3.853878 3.002412 3.531210 3.998174 4.468342 3.088081 0.000000 7.533786 7.950056 9.178048 10.296611 9.883849 9.256069 9.368964 11.217262 10.282075 8.440925 6.666067 6.314965 10.611510 10.369220 5.007264 4.944897 4.096539 3.951171 2.816566 2.687703 8.128816 9.339570 7.625332 4.621362 5.912226 2.086103 4.648321 2.360523 3.003780 3.265030 4.030316 2.852493 1.100360 0.000000 8.446531 9.225644 10.550197 11.549034 10.948337 10.733321 10.752347 12.478138 11.276277 9.518890 7.980521 7.388551 11.883386 11.349332 5.996795 5.542344 5.349952 4.256084 4.005968 3.259622 8.764094 9.959859 8.050639 6.066422 6.356957 2.025490 4.445312 3.826260 4.049294 4.373589 5.023549 3.401034 1.097710 1.796284 0.000000 7.391076 8.068138 9.353892 10.396728 9.799120 9.628398 9.424594 11.251047 10.016382 8.391799 6.852482 6.315662 10.859863 10.315353 5.001061 4.522714 4.544957 3.398739 3.429149 2.665406 7.822412 9.002091 7.241490 5.322363 5.274049 2.081911 3.687766 3.646192 4.436762 4.932621 5.322158 4.102465 1.104179 1.793449 1.792483 0.000000 6.553505 8.003619 9.439713 10.085080 9.079303 9.982343 9.602371 10.925224 9.149741 7.813833 7.032051 5.990840 10.575253 9.381592 4.776703 3.579766 5.092981 2.406148 4.348345 2.970398 6.385460 7.438475 5.502943 6.161136 3.794951 2.802630 1.407804 5.262093 5.766718 6.645177 6.243353 5.167936 3.410869 4.401209 3.753988 3.089652 0.000000 7.217542 8.654816 10.111121 10.773962 9.803040 10.576325 10.344418 11.665741 9.961253 8.502507 7.623797 6.596361 11.183705 10.051549 5.294129 4.207192 5.394852 2.879865 4.439353 3.040941 7.038528 8.115956 6.090055 6.431014 4.569400 2.423754 2.087354 5.145861 5.415693 6.234755 5.947231 4.653502 3.076757 4.132178 3.149814 3.048145 1.098579 0.000000 7.008142 8.593514 10.014884 10.560581 9.452951 10.641592 10.137835 11.349334 9.417998 8.277416 7.721774 6.619955 11.097086 9.722144 5.525489 4.221043 6.017984 3.254298 5.384482 4.022987 6.664097 7.612945 5.741208 7.097506 4.168369 3.883883 2.011926 6.347837 6.840182 7.729877 7.274945 6.213134 4.437562 5.452769 4.675421 4.023580 1.098038 1.793783 0.000000 6.731833 7.928301 9.305788 10.087484 9.188209 9.821602 9.365844 10.891375 9.228407 7.892258 6.901722 6.019515 10.639573 9.611365 4.805866 3.758472 5.003997 2.645552 4.232322 2.977280 6.779118 7.858296 6.040591 6.019049 4.072470 2.808563 2.081278 5.058416 5.769519 6.557779 6.372690 5.286056 2.977237 3.915953 3.422129 2.342130 1.103679 1.793406 1.786774 0.000000 C14H19BN3O3(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 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:-2.4115,-.9791,.5003;-3.4177,.7337,-.524;-4.7154,1.332,-.9588;-5.7274,.5253,-.1059;-5.016,-.7964,.2729;-4.7626,2.4143,-.7833;-4.8574,1.164,-2.0382;-6.6743,.3469,-.6312;-5.2621,-1.628,-.4081;-3.6254,-.4308,.1326;-2.1617,1.0176,-.6385;-1.5269,-.0385,-.0265;-5.9605,1.086,.8112;-5.2334,-1.126,1.2983;-.1166,-.0389,.0077;.5998,-1.2306,-.0079;.5568,1.1868,.0321;1.9994,-1.2218,.0116;1.9439,1.1982,.0546;2.6902,.003,.0412;-2.2497,-2.2274,1.3262;-3.274,-2.8031,1.6258;-1.1794,-2.632,1.6986;.0108,2.1284,.0368;.0992,-2.1951,-.0533;4.0525,.0347,.1171;2.5833,-2.4384,.0324;2.5899,2.3995,.102;3.1603,2.7206,1.3542;3.6175,3.7133,1.2531;2.386,2.7601,2.1396;3.9323,1.9904,1.6469;4.727,.5962,-.9914;4.4553,1.6525,-1.1368;5.8018,.5176,-.7827;4.4989,.038,-1.9164;3.8265,-2.6687,-.5868;4.6665,-2.3081,.0225;3.9071,-3.7562,-.715;3.8737,-2.1943,-1.5822; 0.6643294 0.1575279 0.1350137 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 407 407 407 407 407 MxSgAt= 40 MxSgA2= 40. 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= 407 407 407 407 407 MxSgAt= 40 MxSgA2= 40. 1 0.7589 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 C C C C C H H H H N N N H H C C C C C C B H H H H O O O C H H H C H H H C H H H 13 13 13 13 13 1 1 1 1 14 14 14 1 1 13 13 13 13 13 13 11 1 1 1 1 17 17 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.00985 -0.01623 0.00113 -0.00048 -0.00665 -0.00079 -0.00138 0.00001 0.00298 0.04374 0.02205 0.06773 0.00008 0.00194 -0.01692 0.00883 0.01029 -0.00763 -0.00709 0.00899 0.04342 -0.00583 -0.00593 -0.00065 -0.00079 0.00254 -0.00107 -0.00119 -0.00162 0.00002 0.00002 0.00001 0.00352 -0.00001 0.00000 -0.00003 -0.00170 0.00003 0.00000 0.00002 -11.07011 -18.24126 1.27234 -0.53446 -7.47146 -3.54771 -6.17226 0.03299 13.31031 14.13369 7.12403 21.88254 0.36112 8.65979 -19.01853 9.93005 11.56299 -8.57789 -7.96639 10.10816 62.28176 -26.05778 -26.51524 -2.92361 -3.53078 -1.53982 0.64817 0.72271 -1.81927 0.07853 0.10757 0.05936 3.95468 -0.05481 0.00794 -0.12268 -1.90894 0.13357 0.00899 0.07306 -3.95009 -6.50893 0.45400 -0.19071 -2.66600 -1.26591 -2.20242 0.01177 4.74945 5.04325 2.54203 7.80823 0.12886 3.09003 -6.78629 3.54329 4.12596 -3.06080 -2.84261 3.60684 22.22368 -9.29806 -9.46130 -1.04322 -1.25987 -0.54945 0.23128 0.25788 -0.64916 0.02802 0.03838 0.02118 1.41113 -0.01956 0.00283 -0.04378 -0.68116 0.04766 0.00321 0.02607 -3.69259 -6.08463 0.42441 -0.17828 -2.49221 -1.18339 -2.05884 0.01101 4.43984 4.71449 2.37632 7.29923 0.12046 2.88860 -6.34390 3.31231 3.85700 -2.86128 -2.65730 3.37172 20.77496 -8.69194 -8.84453 -0.97521 -1.17774 -0.51363 0.21621 0.24107 -0.60684 0.02619 0.03588 0.01980 1.31914 -0.01828 0.00265 -0.04092 -0.63675 0.04455 0.00300 0.02437 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 -0.107457 0.030826 0.000763 0.002724 0.007641 0.000438 0.000370 0.001739 0.005169 -0.165712 -0.098693 -0.259318 0.001850 0.006805 0.025268 -0.020330 -0.019069 0.015121 0.013682 -0.022078 -0.117958 0.003847 0.008234 -0.000470 0.006237 -0.004540 0.002897 0.001748 0.000866 0.000231 0.000156 0.000671 0.001945 0.000613 0.000714 0.000743 0.001020 0.000538 0.000703 0.000989 0.014604 -0.001493 0.000442 -0.000809 -0.003256 0.000419 -0.000621 -0.000847 -0.002613 -0.002626 0.012572 0.015262 -0.000123 -0.003586 0.010815 -0.019000 -0.021205 0.010552 0.011008 -0.024385 0.042222 0.000613 -0.006783 0.002949 -0.000894 -0.002373 0.002542 0.002779 -0.000166 0.000108 0.000322 0.000101 -0.001797 -0.000275 -0.000330 -0.001098 -0.000414 -0.000168 -0.000267 -0.000358 0.092853 -0.029333 -0.001206 -0.001915 -0.004385 -0.000857 0.000251 -0.000891 -0.002556 0.168339 0.086121 0.244056 -0.001727 -0.003219 -0.036083 0.039330 0.040275 -0.025673 -0.024691 0.046463 0.075736 -0.004460 -0.001451 -0.002479 -0.005343 0.006913 -0.005438 -0.004527 -0.000700 -0.000339 -0.000478 -0.000771 -0.000148 -0.000338 -0.000384 0.000355 -0.000607 -0.000370 -0.000436 -0.000631 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 -0.007682 0.003897 -0.002116 -0.002952 0.000232 -0.001567 -0.000911 -0.000958 0.002022 -0.014544 -0.009353 -0.008828 -0.002251 -0.000199 0.002486 0.001179 0.004295 0.000646 0.000662 0.000398 -0.026710 0.017274 -0.014468 0.000853 0.001437 0.001306 -0.002656 0.002127 0.000438 0.000457 0.000818 0.000725 0.000062 0.000407 -0.000221 0.000198 0.000076 -0.000322 -0.000671 -0.000266 -0.014884 0.005361 0.001893 0.001828 0.000976 0.000823 0.001710 0.001066 0.002792 -0.015504 -0.016708 -0.017550 0.000105 -0.001769 0.001044 -0.004548 -0.008495 0.000676 0.001731 -0.001596 -0.028245 -0.014385 0.015569 -0.000526 -0.002030 0.004074 -0.001714 0.001483 -0.000063 0.000064 0.000191 0.000371 -0.002171 -0.000412 -0.000413 -0.000771 -0.000051 -0.000260 -0.000518 -0.000796 0.140833 -0.044909 -0.002158 -0.000874 -0.001392 -0.001073 -0.001554 -0.000321 0.000273 0.236898 0.146971 0.365516 -0.000056 -0.000404 -0.010505 -0.018706 -0.007708 -0.002097 -0.002627 0.008509 0.168532 0.001332 0.002826 -0.000999 0.001273 0.002607 0.000249 0.000742 -0.000592 0.000064 0.000148 0.000440 0.000030 -0.000171 0.000087 -0.000039 -0.000409 0.000093 0.000204 0.000387 0.9835 -0.1061 0.1467 0.173 0.79 -0.5882 -0.0535 0.6038 0.7953 -0.1088 -0.0919 0.2008 -14.606 -12.336 26.943 -5.212 -4.402 9.614 -4.872 -4.115 8.987 1 C 13 -0.0705 0.5918 0.803 0.9885 0.1496 -0.0234 -0.134 0.7921 -0.5955 -0.0629 0.0313 0.0316 -8.44 4.199 4.242 -3.012 1.498 1.514 -2.815 1.401 1.415 2 C 13 -0.1906 0.4587 0.8679 0.7509 0.6376 -0.1721 0.6323 -0.6189 0.466 -0.0028 -0.0015 0.0042 -0.371 -0.197 0.568 -0.132 -0.07 0.203 -0.124 -0.066 0.189 3 C 13 -0.5102 -0.4862 0.7094 0.1958 0.7375 0.6463 0.8374 -0.4687 0.2811 -0.0026 -0.0024 0.005 -0.353 -0.316 0.67 -0.126 -0.113 0.239 -0.118 -0.106 0.223 4 C 13 -0.0721 0.5503 0.8318 0.0344 0.8349 -0.5494 0.9968 0.011 0.0791 -0.0054 -0.0023 0.0077 -0.723 -0.313 1.036 -0.258 -0.112 0.37 -0.241 -0.104 0.346 5 C 13 0.0891 0.5463 0.8329 0.7579 0.5053 -0.4125 -0.6462 0.668 -0.369 -0.0015 -0.0011 0.0025 -0.786 -0.563 1.349 -0.28 -0.201 0.481 -0.262 -0.188 0.45 6 H 1 -0.2561 0.6719 0.695 0.7524 0.5899 -0.293 0.6069 -0.4479 0.6566 -0.0019 -0.001 0.0029 -1.004 -0.539 1.543 -0.358 -0.192 0.551 -0.335 -0.18 0.515 7 H 1 -0.3702 -0.1409 0.9182 0.2257 0.9452 0.236 0.9011 -0.2946 0.318 -0.0013 -0.0012 0.0024 -0.679 -0.617 1.295 -0.242 -0.22 0.462 -0.226 -0.206 0.432 8 H 1 -0.3627 0.4914 0.7918 -0.0262 0.8439 -0.5358 0.9315 0.2151 0.2932 -0.0037 -0.0028 0.0065 -1.956 -1.52 3.476 -0.698 -0.542 1.24 -0.652 -0.507 1.159 9 H 1 0.5598 0.6913 -0.457 0.8276 -0.4384 0.3505 -0.0419 0.5744 0.8175 -0.171 -0.1646 0.3356 -6.596 -6.347 12.943 -2.353 -2.265 4.618 -2.2 -2.117 4.317 10 N 14 -0.5626 0.6296 -0.5358 0.8243 0.4765 -0.3057 -0.0628 0.6136 0.7871 -0.1041 -0.0979 0.202 -4.016 -3.776 7.792 -1.433 -1.347 2.78 -1.34 -1.26 2.599 11 N 14 0.9222 -0.2973 0.2471 0.3858 0.7492 -0.5384 -0.0251 0.5919 0.8056 -0.2612 -0.252 0.5131 -10.073 -9.718 19.791 -3.594 -3.468 7.062 -3.36 -3.242 6.602 12 N 14 -0.0611 -0.0508 0.9968 0.544 0.8357 0.0759 0.8369 -0.5469 0.0234 -0.0017 -0.0016 0.0033 -0.923 -0.85 1.773 -0.329 -0.303 0.633 -0.308 -0.284 0.592 13 H 1 0.1232 0.7332 0.6688 0.1154 -0.6799 0.7241 0.9857 -0.012 -0.1684 -0.004 -0.0031 0.0071 -2.128 -1.666 3.793 -0.759 -0.594 1.354 -0.71 -0.556 1.265 14 H 1 -0.0242 0.21 0.9774 -0.1725 0.9622 -0.211 0.9847 0.1737 -0.0129 -0.0384 0.0127 0.0257 -5.148 1.701 3.448 -1.837 0.607 1.23 -1.717 0.567 1.15 15 C 13 0.0384 0.9582 0.2836 0.9967 -0.057 0.0578 -0.0715 -0.2804 0.9572 -0.0245 -0.0207 0.0452 -3.286 -2.772 6.059 -1.173 -0.989 2.162 -1.096 -0.925 2.021 16 C 13 -0.5986 0.8009 0.0168 0.7879 0.5849 0.1924 -0.1443 -0.1284 0.9812 -0.0246 -0.018 0.0425 -3.298 -2.409 5.707 -1.177 -0.86 2.037 -1.1 -0.804 1.904 17 C 13 -0.0174 0.0579 0.9982 -0.1322 0.9894 -0.0597 0.9911 0.133 0.0096 -0.0258 0.0106 0.0152 -3.463 1.421 2.042 -1.236 0.507 0.728 -1.155 0.474 0.681 18 C 13 -0.0459 0.0736 0.9962 -0.1958 0.9773 -0.0812 0.9796 0.1988 0.0304 -0.025 0.0111 0.0139 -3.35 1.489 1.861 -1.195 0.531 0.664 -1.117 0.497 0.621 19 C 13 -0.1699 0.9782 -0.1194 0.9852 0.1713 0.0017 -0.0221 0.1174 0.9928 -0.0255 -0.022 0.0475 -3.421 -2.954 6.375 -1.221 -1.054 2.275 -1.141 -0.985 2.126 20 C 13 0.9915 0.1255 0.0346 -0.0693 0.7341 -0.6755 -0.1102 0.6673 0.7366 -0.1223 -0.1103 0.2327 -20.944 -18.889 39.833 -7.473 -6.74 14.213 -6.986 -6.301 13.287 21 B 11 0.6476 -0.5187 0.5582 -0.1188 0.6549 0.7464 0.7527 0.5496 -0.3625 -0.0224 -0.001 0.0234 -11.945 -0.535 12.479 -4.262 -0.191 4.453 -3.984 -0.178 4.163 22 H 1 0.5707 0.6367 -0.5186 -0.1199 0.6894 0.7144 0.8123 -0.3455 0.4698 -0.0221 -0.0013 0.0234 -11.767 -0.713 12.481 -4.199 -0.255 4.453 -3.925 -0.238 4.163 23 H 1 0.1725 0.1457 0.9742 0.9558 -0.2637 -0.1298 0.238 0.9535 -0.1847 -0.0027 -6.0E-4 0.0034 -1.452 -0.338 1.79 -0.518 -0.121 0.639 -0.484 -0.113 0.597 24 H 1 0.1872 -0.2805 0.9414 -0.108 0.9467 0.3035 0.9764 0.1585 -0.1469 -0.0061 -7.0E-4 0.0068 -3.268 -0.347 3.615 -1.166 -0.124 1.29 -1.09 -0.116 1.206 25 H 1 0.9506 -0.1511 -0.2713 0.0721 0.9572 -0.2803 0.302 0.2469 0.9208 -0.0059 -0.003 0.0089 0.428 0.22 -0.647 0.153 0.078 -0.231 0.143 0.073 -0.216 26 O 17 0.2041 0.0358 0.9783 0.6411 0.7504 -0.1612 0.7398 -0.6601 -0.1302 -0.0058 2.0E-4 0.0056 0.419 -0.016 -0.403 0.149 -0.006 -0.144 0.14 -0.005 -0.134 27 O 17 -0.2071 -0.0372 0.9776 0.7489 -0.6489 0.134 0.6294 0.7599 0.1623 -0.0049 2.0E-4 0.0047 0.352 -0.012 -0.34 0.126 -0.004 -0.121 0.118 -0.004 -0.113 28 O 17 -0.0994 0.5652 0.8189 -0.4196 0.7224 -0.5496 0.9022 0.3983 -0.1654 -0.0011 0.0 0.0011 -0.148 0.004 0.144 -0.053 0.001 0.051 -0.049 0.001 0.048 29 C 13 0.0022 -0.1406 0.9901 -0.6623 0.7416 0.1068 0.7492 0.656 0.0915 -3.0E-4 -3.0E-4 6.0E-4 -0.186 -0.156 0.341 -0.066 -0.055 0.122 -0.062 -0.052 0.114 30 H 1 0.7119 -0.5624 -0.4206 0.2235 -0.3863 0.8949 0.6657 0.7311 0.1493 -6.0E-4 -5.0E-4 0.0011 -0.322 -0.264 0.586 -0.115 -0.094 0.209 -0.107 -0.088 0.195 31 H 1 -0.0575 -0.3495 0.9352 -0.617 0.7488 0.2419 0.7848 0.5631 0.2587 -0.001 -4.0E-4 0.0013 -0.511 -0.189 0.701 -0.182 -0.067 0.25 -0.171 -0.063 0.234 32 H 1 -0.1085 0.9812 -0.1598 0.5206 0.193 0.8317 0.8469 0.0071 -0.5318 -0.0018 -0.0015 0.0033 -0.243 -0.201 0.444 -0.087 -0.072 0.158 -0.081 -0.067 0.148 33 C 13 0.2508 0.2597 0.9325 -0.407 0.9024 -0.1419 0.8783 0.3439 -0.332 -5.0E-4 -4.0E-4 9.0E-4 -0.265 -0.23 0.495 -0.094 -0.082 0.177 -0.088 -0.077 0.165 34 H 1 0.3023 -0.0836 0.9496 0.2066 0.9782 0.0203 0.9306 -0.1901 -0.3129 -5.0E-4 -4.0E-4 9.0E-4 -0.279 -0.2 0.479 -0.1 -0.071 0.171 -0.093 -0.067 0.16 35 H 1 -0.1207 0.992 -0.0371 0.602 0.1028 0.7918 0.7893 0.0733 -0.6096 -0.0011 -2.0E-4 0.0014 -0.598 -0.126 0.724 -0.213 -0.045 0.258 -0.199 -0.042 0.242 36 H 1 -0.0037 0.6208 0.784 -0.0815 0.7812 -0.6189 0.9967 0.0662 -0.0477 -9.0E-4 -1.0E-4 0.001 -0.125 -0.013 0.138 -0.045 -0.005 0.049 -0.042 -0.004 0.046 37 C 13 0.2427 -0.0451 0.9691 0.3489 0.9361 -0.0438 0.9052 -0.3487 -0.2429 -4.0E-4 -3.0E-4 7.0E-4 -0.234 -0.156 0.39 -0.084 -0.056 0.139 -0.078 -0.052 0.13 38 H 1 0.5081 0.491 0.7076 0.1444 0.7614 -0.632 0.8491 -0.4233 -0.316 -7.0E-4 -6.0E-4 0.0012 -0.356 -0.301 0.657 -0.127 -0.107 0.234 -0.119 -0.1 0.219 39 H 1 -1.70862033e+00 7.13305942e-01 -1.22419991e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 6 6 6 6 6 1 1 1 1 7 7 7 1 1 6 6 6 6 6 6 5 1 1 1 1 8 8 8 6 1 1 1 6 1 1 1 6 1 1 1 0.000372340 0.000956912 0.000175316 0.000037925 0.000106878 0.000006492 -0.000000621 -0.000034464 0.000053728 0.000006274 0.000026331 0.000013535 0.000171428 0.000113692 0.000018501 -0.000025267 0.000003088 -0.000024708 -0.000045075 -0.000000346 0.000009436 -0.000023481 -0.000002143 0.000012254 -0.000021346 -0.000006708 0.000010108 -0.000237904 -0.000265199 -0.000096215 -0.000433832 -0.000619217 0.000012550 -0.001648975 -0.000259984 0.000037467 0.000003528 0.000002610 -0.000015938 0.000002596 -0.000023846 -0.000019159 -0.002408153 -0.000813492 0.000061209 -0.004349382 -0.010216446 0.005941314 -0.006924206 0.010517889 -0.003950844 -0.016412766 0.037335723 -0.007326323 -0.010989015 -0.037837378 0.008247209 -0.050863583 -0.000478669 0.007549884 -0.000330775 0.000066909 -0.000044212 -0.000066723 -0.000130290 -0.000018236 0.000069692 -0.000153558 -0.000146425 0.006919340 -0.011566864 0.004138811 0.003681620 0.012142994 -0.005101454 0.049519136 -0.000906893 -0.010715611 0.026752947 -0.042354055 0.004805834 0.018299838 0.044442713 -0.008440158 0.003145682 -0.003442542 -0.026777201 -0.019814775 -0.006436011 0.002951875 0.014402470 -0.012722402 0.012721607 -0.000002670 0.018812585 0.010074741 0.004455687 0.007271911 0.026621526 -0.010911140 -0.018348470 0.004055311 -0.013433618 0.013073388 -0.010080679 0.012586720 -0.007449470 -0.015004157 0.006277857 0.008812241 0.026761262 -0.021237276 -0.000260555 -0.002121683 0.006861363 0.016638036 -0.012640029 0.006614141 -0.015994899 -0.011756936 0.050863583 0.013139463 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7590 0.7591 0.7592 0.7591 0.7591 0.7591 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 0.7590 open 1 1 1 -958.618517329200 -958.618533486315 -0.000016157115 -958.618534495939 -0.000001009625 -958.618534519205 -0.000000023266 -958.618534528360 -0.000000009155 -958.618534528893 -0.000000000533 -958.618534529002 -0.000000000109 -958.618534529016 -0.000000000014 -958.618534529026 -0.000000000010 -958.618534529 9 0.7590 9.490332250553e+02 -5.581071711821e+03 1.997467035590e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572517522 LenY= 1572348981 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. 0.7590 (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 C C C C C H H H H N N N H H C C C C C C B H H H H O O O C H H H C H H H C H H H 13 13 13 13 13 1 1 1 1 14 14 14 1 1 13 13 13 13 13 13 11 1 1 1 1 17 17 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.01075 -0.01582 0.00108 -0.00048 -0.00661 -0.00078 -0.00135 0.00001 0.00294 0.04354 0.02122 0.06882 0.00008 0.00191 -0.01682 0.00924 0.01005 -0.00700 -0.00657 0.00833 0.04373 -0.00584 -0.00596 -0.00062 -0.00085 0.00296 -0.00103 -0.00151 -0.00156 0.00000 0.00001 0.00002 0.00292 0.00001 -0.00001 0.00000 -0.00049 -0.00004 -0.00000 -0.00003 -12.08680 -17.78273 1.21911 -0.53955 -7.42840 -3.49834 -6.04984 0.02383 13.14192 14.06746 6.85752 22.23720 0.37007 8.54877 -18.91199 10.38323 11.29307 -7.86795 -7.38526 9.36798 62.73032 -26.12464 -26.63220 -2.75586 -3.79039 -1.79620 0.62298 0.91826 -1.75155 0.01189 0.04688 0.07698 3.27875 0.03573 -0.05837 0.01334 -0.54639 -0.19705 -0.00656 -0.12123 -4.31287 -6.34532 0.43501 -0.19253 -2.65064 -1.24830 -2.15873 0.00850 4.68936 5.01962 2.44694 7.93479 0.13205 3.05041 -6.74827 3.70500 4.02965 -2.80748 -2.63525 3.34273 22.38374 -9.32192 -9.50303 -0.98336 -1.35250 -0.64093 0.22229 0.32766 -0.62500 0.00424 0.01673 0.02747 1.16994 0.01275 -0.02083 0.00476 -0.19497 -0.07031 -0.00234 -0.04326 -4.03172 -5.93168 0.40665 -0.17997 -2.47785 -1.16692 -2.01801 0.00795 4.38367 4.69240 2.28742 7.41753 0.12344 2.85156 -6.30836 3.46347 3.76696 -2.62447 -2.46346 3.12482 20.92458 -8.71424 -8.88355 -0.91926 -1.26434 -0.59915 0.20780 0.30630 -0.58425 0.00397 0.01564 0.02568 1.09367 0.01192 -0.01947 0.00445 -0.18226 -0.06573 -0.00219 -0.04044 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 -0.105657 0.030120 0.000747 0.002711 0.007636 0.000426 0.000410 0.001750 0.005295 -0.165139 -0.096827 -0.262468 0.001796 0.006722 0.025540 -0.021686 -0.017843 0.014128 0.013578 -0.021810 -0.119876 0.003951 0.008396 -0.000488 0.005938 -0.006781 0.006513 0.001789 0.000549 0.000253 0.000431 0.000388 0.001039 0.000367 0.000805 0.000632 0.000341 0.000606 0.000599 0.000621 -0.014329 0.007595 0.000933 -0.000564 -0.002977 0.000673 -0.000260 -0.000757 -0.002695 -0.051428 -0.018327 -0.062175 -0.000090 -0.003484 0.012746 -0.016331 -0.017621 0.009579 0.010932 -0.024651 0.005854 -0.000271 -0.007104 0.003086 -0.000953 -0.005040 0.007458 0.003316 0.000438 0.000077 0.000152 0.000022 -0.000844 0.000061 -0.000439 -0.000709 -0.000120 -0.000133 -0.000188 -0.000198 0.119986 -0.037715 -0.001680 -0.002148 -0.004659 -0.001100 -0.000149 -0.000993 -0.002601 0.216567 0.115154 0.324643 -0.001706 -0.003238 -0.038286 0.038017 0.035464 -0.023707 -0.024510 0.046461 0.114022 -0.003679 -0.001292 -0.002598 -0.004985 0.011821 -0.013971 -0.005106 -0.000987 -0.000330 -0.000583 -0.000410 -0.000195 -0.000428 -0.000367 0.000076 -0.000221 -0.000473 -0.000411 -0.000424 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 -0.002516 0.002145 -0.002335 -0.003149 -0.000015 -0.001664 -0.001130 -0.001092 0.001617 -0.007716 -0.003622 0.001952 -0.002255 -0.000124 0.001893 0.001586 0.004644 0.000441 0.000604 0.000599 -0.019518 0.018780 -0.016151 0.001149 0.001611 0.003039 -0.001367 0.001206 0.000379 0.000413 0.000784 0.000628 0.001192 0.000603 0.000236 0.000162 -0.000193 -0.000353 -0.000380 -0.000318 -0.009968 0.003946 0.001566 0.001381 0.000750 0.000610 0.001577 0.000899 0.002851 -0.007782 -0.011363 -0.002970 -0.000208 -0.001954 -0.000069 -0.003998 -0.005983 -0.000336 0.001235 -0.000119 -0.025666 -0.012570 0.013913 -0.000451 -0.002040 0.006605 -0.006056 0.003161 -0.000509 0.000061 0.000460 0.000135 -0.001557 -0.000287 -0.000242 -0.000683 -0.000222 -0.000106 -0.000220 -0.000404 0.125941 -0.039714 -0.001854 -0.000700 -0.001245 -0.000883 -0.001602 -0.000296 0.000192 0.211454 0.132023 0.335379 0.000161 -0.000414 -0.005943 -0.024987 -0.012797 0.000841 0.002053 0.001817 0.162363 0.001800 0.002380 -0.000404 0.001779 0.007466 0.000690 0.001687 -0.000247 0.000061 0.000317 0.000333 -0.001013 -0.000382 -0.000063 -0.000007 0.000032 0.000011 0.000067 0.000231 0.9839 -0.1345 0.1181 0.1759 0.8472 -0.5013 -0.0326 0.514 0.8572 -0.1065 -0.0894 0.1959 -14.293 -11.992 26.285 -5.1 -4.279 9.379 -4.767 -4.0 8.768 1 C 13 -0.0492 0.5016 0.8637 0.9433 0.3076 -0.1249 -0.3283 0.8086 -0.4883 -0.061 0.0303 0.0307 -8.186 4.066 4.12 -2.921 1.451 1.47 -2.731 1.356 1.374 2 C 13 -0.177 0.3548 0.918 0.7539 0.6485 -0.1053 -0.6327 0.6734 -0.3823 -0.0027 -0.0015 0.0042 -0.362 -0.199 0.561 -0.129 -0.071 0.2 -0.121 -0.066 0.187 3 C 13 -0.4894 -0.5165 0.7027 0.2446 0.6921 0.6791 0.8371 -0.5042 0.2123 -0.0026 -0.0024 0.005 -0.348 -0.317 0.665 -0.124 -0.113 0.237 -0.116 -0.106 0.222 4 C 13 -0.0506 0.4631 0.8849 0.0361 0.8863 -0.4618 0.9981 -0.0086 0.0615 -0.0054 -0.0023 0.0077 -0.718 -0.313 1.031 -0.256 -0.112 0.368 -0.24 -0.104 0.344 5 C 13 0.1094 0.4496 0.8865 0.7569 0.5404 -0.3674 -0.6443 0.7112 -0.2812 -0.0015 -0.0011 0.0025 -0.785 -0.564 1.35 -0.28 -0.201 0.482 -0.262 -0.188 0.45 6 H 1 -0.2344 0.5968 0.7674 0.7538 0.61 -0.2442 0.6139 -0.5213 0.5928 -0.0019 -0.001 0.0029 -1.001 -0.542 1.543 -0.357 -0.193 0.551 -0.334 -0.181 0.515 7 H 1 -0.3525 -0.2269 0.9079 0.2438 0.9144 0.3231 0.9035 -0.3352 0.2671 -0.0013 -0.0012 0.0024 -0.676 -0.615 1.292 -0.241 -0.219 0.461 -0.226 -0.205 0.431 8 H 1 -0.3429 0.4048 0.8477 -0.0247 0.8982 -0.439 0.9391 0.1714 0.298 -0.0037 -0.0028 0.0065 -1.954 -1.512 3.466 -0.697 -0.539 1.237 -0.652 -0.504 1.156 9 H 1 0.5606 0.7311 -0.3888 0.8278 -0.4828 0.2857 -0.0211 0.482 0.8759 -0.1698 -0.1633 0.3331 -6.549 -6.299 12.848 -2.337 -2.248 4.584 -2.184 -2.101 4.286 10 N 14 -0.5637 0.6919 -0.4512 0.825 0.4977 -0.2676 -0.0394 0.5231 0.8513 -0.1015 -0.0953 0.1968 -3.914 -3.677 7.59 -1.397 -1.312 2.708 -1.305 -1.226 2.532 11 N 14 0.9268 -0.3241 0.1894 0.3754 0.8029 -0.463 -0.002 0.5002 0.8659 -0.2638 -0.2546 0.5184 -10.173 -9.821 19.993 -3.63 -3.504 7.134 -3.393 -3.276 6.669 12 N 14 -0.0352 -0.1463 0.9886 0.5549 0.8199 0.141 0.8312 -0.5536 -0.0523 -0.0017 -0.0016 0.0033 -0.919 -0.848 1.766 -0.328 -0.302 0.63 -0.306 -0.283 0.589 13 H 1 0.1431 0.6549 0.742 -0.1185 0.7557 -0.6441 0.9826 -0.0042 -0.1857 -0.004 -0.0031 0.0071 -2.123 -1.661 3.784 -0.758 -0.593 1.35 -0.708 -0.554 1.262 14 H 1 -0.0023 0.1142 0.9934 -0.1506 0.9821 -0.1133 0.9886 0.1499 -0.015 -0.039 0.0131 0.0258 -5.229 1.763 3.466 -1.866 0.629 1.237 -1.744 0.588 1.156 15 C 13 -0.0063 0.9318 0.3629 0.9981 -0.0165 0.0597 -0.0616 -0.3626 0.9299 -0.0261 -0.022 0.048 -3.499 -2.946 6.444 -1.248 -1.051 2.3 -1.167 -0.983 2.15 16 C 13 -0.5947 0.7959 0.1135 0.795 0.5611 0.2306 -0.1198 -0.2274 0.9664 -0.0229 -0.0163 0.0392 -3.075 -2.187 5.262 -1.097 -0.781 1.878 -1.026 -0.73 1.755 17 C 13 0.0092 -0.0253 0.9996 -0.0941 0.9952 0.0261 0.9955 0.0944 -0.0067 -0.0237 0.0096 0.0142 -3.185 1.283 1.902 -1.136 0.458 0.679 -1.062 0.428 0.634 18 C 13 -0.0313 -0.057 0.9979 -0.2395 0.9697 0.0479 0.9704 0.2375 0.044 -0.0247 0.0109 0.0138 -3.31 1.461 1.849 -1.181 0.521 0.66 -1.104 0.487 0.617 19 C 13 -0.1964 0.9802 -0.0253 0.9805 0.1963 -0.0035 -0.0015 0.0255 0.9997 -0.0248 -0.0217 0.0465 -3.33 -2.911 6.241 -1.188 -1.039 2.227 -1.111 -0.971 2.082 20 C 13 0.9934 0.1097 0.0324 -0.0697 0.8053 -0.5887 -0.0907 0.5826 0.8077 -0.1229 -0.1111 0.234 -21.037 -19.029 40.066 -7.507 -6.79 14.296 -7.017 -6.347 13.364 21 B 11 0.6472 -0.5858 0.4878 -0.0976 0.5709 0.8152 0.756 0.5752 -0.3123 -0.0225 -9.0E-4 0.0234 -12.015 -0.487 12.503 -4.287 -0.174 4.461 -4.008 -0.163 4.17 22 H 1 0.5693 0.6831 -0.4575 -0.1048 0.6122 0.7837 0.8154 -0.3983 0.4201 -0.0222 -0.0013 0.0235 -11.824 -0.69 12.514 -4.219 -0.246 4.465 -3.944 -0.23 4.174 23 H 1 0.1838 0.0321 0.9824 0.9402 -0.2974 -0.1661 0.2868 0.9542 -0.0849 -0.0027 -8.0E-4 0.0035 -1.438 -0.412 1.85 -0.513 -0.147 0.66 -0.48 -0.137 0.617 24 H 1 0.2021 -0.3714 0.9062 -0.1045 0.9118 0.3971 0.9738 0.175 -0.1455 -0.0062 -4.0E-4 0.0065 -3.291 -0.194 3.485 -1.174 -0.069 1.244 -1.098 -0.065 1.162 25 H 1 0.8985 -0.418 -0.134 0.3266 0.8406 -0.4321 0.2932 0.3445 0.8918 -0.0092 -0.0077 0.0169 0.664 0.557 -1.221 0.237 0.199 -0.436 0.222 0.186 -0.407 26 O 17 0.263 -0.0132 0.9647 0.6016 0.784 -0.1532 0.7543 -0.6206 -0.2142 -0.0156 0.0063 0.0094 1.131 -0.454 -0.677 0.404 -0.162 -0.242 0.377 -0.151 -0.226 27 O 17 -0.3396 -0.119 0.933 0.7324 -0.6559 0.1829 0.5902 0.7454 0.3099 -0.0065 0.0015 0.005 0.468 -0.108 -0.36 0.167 -0.039 -0.128 0.156 -0.036 -0.12 28 O 17 0.2681 0.0853 0.9596 -0.5966 0.7968 0.0958 0.7564 0.5982 -0.2645 -0.0012 1.0E-4 0.001 -0.155 0.017 0.138 -0.055 0.006 0.049 -0.052 0.006 0.046 29 C 13 -0.004 -0.1407 0.9901 -0.6341 0.7659 0.1063 0.7732 0.6274 0.0922 -3.0E-4 -3.0E-4 6.0E-4 -0.181 -0.137 0.317 -0.064 -0.049 0.113 -0.06 -0.046 0.106 30 H 1 -0.3395 -0.0349 0.9399 -0.5818 0.793 -0.1807 0.7391 0.6082 0.2896 -8.0E-4 -5.0E-4 0.0013 -0.406 -0.264 0.67 -0.145 -0.094 0.239 -0.135 -0.088 0.224 31 H 1 0.2883 -0.6301 0.721 -0.5822 0.4825 0.6544 0.7602 0.6084 0.2277 -6.0E-4 -3.0E-4 9.0E-4 -0.345 -0.152 0.497 -0.123 -0.054 0.177 -0.115 -0.051 0.166 32 H 1 -0.0551 0.8354 0.5468 0.659 -0.381 0.6485 0.7501 0.3961 -0.5296 -0.0016 -0.0012 0.0028 -0.213 -0.159 0.371 -0.076 -0.057 0.132 -0.071 -0.053 0.124 33 C 13 -0.0724 0.5242 0.8485 0.677 -0.5989 0.4278 0.7324 0.6054 -0.3115 -6.0E-4 -3.0E-4 0.001 -0.341 -0.186 0.527 -0.122 -0.066 0.188 -0.114 -0.062 0.176 34 H 1 -0.1303 0.9615 0.2421 0.2295 -0.2083 0.9508 0.9646 0.1794 -0.1935 -5.0E-4 -4.0E-4 9.0E-4 -0.26 -0.22 0.479 -0.093 -0.078 0.171 -0.087 -0.073 0.16 35 H 1 -0.1889 0.9706 -0.1494 0.5251 0.2284 0.8198 0.8298 0.0764 -0.5528 -7.0E-4 -4.0E-4 0.0011 -0.394 -0.194 0.588 -0.141 -0.069 0.21 -0.132 -0.065 0.196 36 H 1 0.378 0.2365 0.8951 0.2034 0.922 -0.3295 0.9032 -0.3066 -0.3004 -3.0E-4 -2.0E-4 5.0E-4 -0.041 -0.023 0.065 -0.015 -0.008 0.023 -0.014 -0.008 0.022 37 C 13 0.1265 0.0947 0.9874 0.356 0.9248 -0.1343 0.9259 -0.3686 -0.0833 -5.0E-4 -3.0E-4 8.0E-4 -0.259 -0.144 0.403 -0.092 -0.051 0.144 -0.086 -0.048 0.135 38 H 1 0.2322 0.0855 0.9689 0.338 0.927 -0.1628 0.9121 -0.3652 -0.1864 -5.0E-4 -3.0E-4 8.0E-4 -0.244 -0.18 0.425 -0.087 -0.064 0.152 -0.081 -0.06 0.142 39 H 1 PT25371.800S 2025-06-19T15:09:59.000 -19.27928 -19.27626 -19.27271 -14.52806 -14.50748 -14.47151 -10.37455 -10.35999 -10.35872 -10.35276 -10.35269 -10.34823 -10.34624 -10.34418 -10.34359 -10.34355 -10.33581 -10.33148 -10.29185 -10.29157 -6.80813 -1.18807 -1.16825 -1.15156 -1.13661 -1.06684 -0.96895 -0.93961 -0.91046 -0.85394 -0.84025 -0.83660 -0.80442 -0.77969 -0.77140 -0.74732 -0.72408 -0.70234 -0.68128 -0.67753 -0.63745 -0.62020 -0.61117 -0.60634 -0.60484 -0.57467 -0.56933 -0.56759 -0.55904 -0.55479 -0.54785 -0.54036 -0.53313 -0.53065 -0.52678 -0.51999 -0.50433 -0.49691 -0.47876 -0.47534 -0.47120 -0.46973 -0.45329 -0.43955 -0.43165 -0.42727 -0.41504 -0.40623 -0.40241 -0.38747 -0.38361 -0.37612 -0.36975 -0.34386 -0.30492 -0.29419 -0.21194 0.05896 0.07123 0.09391 0.11990 0.12783 0.13597 0.15503 0.16708 0.16755 0.17317 0.17954 0.18853 0.19096 0.19582 0.20657 0.20904 0.21272 0.21497 0.21769 0.22351 0.22492 0.23120 0.23311 0.24068 0.24563 0.25443 0.25583 0.26209 0.27394 0.28319 0.28669 0.29635 0.31036 0.31962 0.32428 0.34233 0.36071 0.37253 0.38087 0.38982 0.39232 0.39476 0.39819 0.40485 0.43109 0.44107 0.44716 0.46287 0.47565 0.48562 0.49217 0.51565 0.52065 0.52450 0.53480 0.54061 0.54167 0.54541 0.55010 0.55352 0.56574 0.57182 0.57594 0.58851 0.59935 0.60099 0.60826 0.62064 0.63543 0.64223 0.65283 0.65874 0.66550 0.67552 0.69020 0.69562 0.69863 0.70783 0.71100 0.71676 0.72034 0.72706 0.72930 0.73135 0.73411 0.73779 0.74160 0.74472 0.74782 0.75143 0.75264 0.75764 0.75914 0.76216 0.76482 0.76766 0.76998 0.77688 0.78379 0.78794 0.80135 0.80910 0.81498 0.82328 0.82854 0.84264 0.85458 0.86228 0.88110 0.88565 0.89224 0.90045 0.91788 0.93887 0.94816 0.95301 0.96090 0.98245 1.01058 1.01844 1.02712 1.04367 1.06143 1.07010 1.08258 1.10012 1.12406 1.12593 1.12947 1.14678 1.15919 1.16832 1.18883 1.20427 1.23507 1.23546 1.24776 1.25520 1.27294 1.30354 1.31089 1.32038 1.33322 1.36196 1.37054 1.37218 1.39235 1.39369 1.40263 1.42318 1.43331 1.44002 1.44586 1.44776 1.46538 1.47047 1.47593 1.49624 1.52500 1.54172 1.57078 1.57475 1.58139 1.60381 1.61497 1.61618 1.62803 1.63648 1.64587 1.65211 1.66052 1.68508 1.70606 1.70964 1.71046 1.75637 1.76203 1.77792 1.78471 1.78574 1.79742 1.80067 1.80915 1.81961 1.83252 1.83973 1.84311 1.84752 1.85125 1.85625 1.86253 1.87100 1.87167 1.88070 1.88673 1.88958 1.90028 1.90429 1.91449 1.92495 1.93099 1.93880 1.94839 1.95350 1.96072 1.97152 1.97829 1.98532 1.98930 1.99209 1.99783 2.01461 2.02562 2.04172 2.04511 2.05711 2.06970 2.08891 2.09600 2.10015 2.11690 2.11788 2.13742 2.15028 2.17151 2.17807 2.20640 2.22733 2.25393 2.26398 2.27657 2.28398 2.29857 2.30989 2.31711 2.32276 2.33189 2.34661 2.35230 2.35821 2.36787 2.38533 2.40481 2.41887 2.42115 2.43096 2.43236 2.44355 2.46479 2.47368 2.48309 2.50651 2.51202 2.53783 2.55292 2.58055 2.61390 2.62769 2.63148 2.66143 2.69680 2.70321 2.70497 2.72207 2.72318 2.74640 2.75126 2.75389 2.76190 2.78583 2.79903 2.81255 2.83053 2.85882 2.87018 2.88086 2.88715 2.89681 2.90650 2.91615 2.93236 2.94032 2.94860 2.95704 2.97371 3.00444 3.01361 3.02454 3.02968 3.06575 3.07920 3.09636 3.11537 3.14021 3.14860 3.15395 3.16251 3.20276 3.22448 3.24522 3.26607 3.33630 3.39748 3.41616 3.46663 3.48213 3.52754 3.58243 3.62535 3.64329 3.67455 3.85953 -19.27920 -19.27633 -19.27273 -14.52392 -14.50478 -14.47008 -10.37528 -10.36015 -10.35902 -10.35299 -10.35128 -10.34770 -10.34621 -10.34475 -10.34360 -10.34357 -10.33577 -10.33148 -10.29133 -10.29095 -6.80510 -1.18309 -1.16812 -1.15173 -1.13654 -1.06099 -0.96615 -0.93759 -0.90859 -0.85346 -0.83899 -0.83547 -0.80410 -0.77821 -0.77066 -0.74479 -0.72115 -0.70136 -0.67995 -0.67574 -0.63456 -0.61684 -0.60927 -0.60458 -0.59869 -0.57210 -0.56880 -0.56465 -0.55475 -0.55042 -0.54565 -0.54001 -0.53197 -0.52925 -0.52373 -0.51966 -0.50390 -0.49607 -0.47650 -0.47381 -0.47039 -0.46867 -0.45086 -0.43932 -0.42765 -0.42478 -0.41349 -0.40288 -0.39875 -0.38326 -0.37517 -0.37123 -0.35263 -0.34374 -0.29984 -0.28881 0.00186 0.06847 0.07235 0.09983 0.12015 0.13534 0.14741 0.16378 0.16713 0.16833 0.17412 0.17943 0.18962 0.19099 0.19715 0.20711 0.21032 0.21307 0.21633 0.21826 0.22372 0.22511 0.23178 0.23456 0.24180 0.24575 0.25653 0.25659 0.26219 0.27452 0.28706 0.28812 0.29652 0.31193 0.32070 0.32688 0.34212 0.36231 0.37337 0.38147 0.39230 0.39303 0.39489 0.40178 0.40693 0.43389 0.44225 0.45366 0.46302 0.47755 0.49221 0.49964 0.51612 0.52086 0.52503 0.53594 0.54208 0.54241 0.54653 0.55090 0.55439 0.56634 0.57235 0.57686 0.58879 0.60045 0.60268 0.60869 0.62159 0.63606 0.64322 0.65312 0.65907 0.66737 0.67624 0.69074 0.69692 0.69905 0.70830 0.71137 0.71742 0.72102 0.72790 0.73004 0.73167 0.73436 0.73842 0.74176 0.74506 0.75069 0.75152 0.75305 0.75820 0.75902 0.76239 0.76607 0.76796 0.77050 0.77751 0.78539 0.78840 0.80273 0.80993 0.81583 0.82450 0.83004 0.84572 0.85783 0.86425 0.88165 0.88810 0.89355 0.90254 0.91910 0.94081 0.95050 0.95759 0.96268 0.98875 1.01155 1.02246 1.02803 1.04781 1.06583 1.07656 1.08376 1.10517 1.12555 1.12709 1.13505 1.14978 1.16305 1.16997 1.19265 1.20798 1.23665 1.24048 1.24921 1.25814 1.27463 1.30448 1.31222 1.32130 1.33590 1.36408 1.37187 1.37381 1.39315 1.39401 1.40570 1.42457 1.43439 1.44023 1.44614 1.45041 1.46744 1.47492 1.48963 1.49725 1.52696 1.54406 1.57360 1.57535 1.58504 1.60395 1.61529 1.61943 1.62874 1.63756 1.64670 1.65329 1.66119 1.68655 1.70635 1.71151 1.71293 1.75667 1.76650 1.77991 1.78520 1.78596 1.79763 1.80156 1.81002 1.81988 1.83330 1.84008 1.84383 1.84798 1.85165 1.85708 1.86337 1.87156 1.87280 1.88322 1.88870 1.88986 1.90081 1.90460 1.91496 1.92514 1.93190 1.94107 1.94983 1.95507 1.96163 1.97320 1.98029 1.98913 1.99161 1.99370 2.00138 2.01705 2.02618 2.04417 2.04546 2.05777 2.07069 2.08983 2.09762 2.10136 2.11860 2.12038 2.13859 2.15421 2.17343 2.17862 2.20827 2.22925 2.25468 2.26421 2.27711 2.28411 2.29891 2.31020 2.31873 2.32436 2.33437 2.34852 2.35457 2.35887 2.36891 2.38617 2.40566 2.41977 2.42128 2.43172 2.43425 2.44520 2.46712 2.47391 2.48379 2.50691 2.51362 2.54100 2.55371 2.58392 2.61543 2.62971 2.63559 2.66400 2.69809 2.70454 2.70649 2.72400 2.72509 2.74647 2.75254 2.75397 2.76217 2.78922 2.80058 2.81803 2.83254 2.86187 2.87368 2.88143 2.88815 2.90169 2.90690 2.91649 2.93296 2.94168 2.95191 2.95845 2.97411 3.00496 3.01404 3.02514 3.03171 3.06613 3.08125 3.09742 3.11734 3.14169 3.14944 3.15476 3.16392 3.20298 3.22574 3.24644 3.26778 3.33757 3.39871 3.41650 3.46804 3.48241 3.52914 3.58286 3.62623 3.64333 3.67593 3.85979 2-A. -7.72895277e-01 9.73154298e-01 -7.54364760e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.9645 2.4735 -1.9174 3.6951 -79.5306 -128.6378 -125.7632 -6.0993 1.2684 10.2001 31.7799 -17.3273 -14.4527 -6.0993 1.2684 10.2001 -60.3295 40.1569 -15.0233 40.7637 25.5772 -41.2354 21.3791 17.4772 -9.5345 7.7560 -6885.1831 -1882.1616 -492.1851 -102.9214 -4.3252 -111.0634 108.9657 44.5053 45.6304 -1586.4708 -1404.2003 -404.7009 68.8182 50.6429 -19.5092 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -958.6185345 0.758983 0. 0.750059 8.369E-9 8.61E-6 23.6308013,-18.2995917,-5.3312096,-2.9466918,2.8553548,-4.5945081 C01 [X(C14H19B1N3O3)] 0.8272469 -1.1672776 -0.2580467 -0.000007146 0.000000861 -0.000019291 -0.000001059 0.000002969 0.000002345 0.000000880 0.000000508 -0.000001286 -0.000000237 0.000000093 0.000000342 0.000000290 0.000000963 -0.000002631 0.000000574 0.000000527 -0.000000055 -0.000000567 0.000000211 -0.000000173 -0.000000076 0.000000813 -0.000000078 -0.000000617 0.000001329 0.000000516 0.000002547 -0.000000953 0.000007024 0.000002368 -0.000004156 -0.000001196 -0.000006153 0.000006807 0.000011734 0.000000269 0.000000099 -0.000000157 -0.000000082 -0.000000223 0.000000563 0.000009567 0.000011258 -0.000006929 0.000006911 -0.000000590 0.000020721 -0.000003729 -0.000016347 -0.000000239 -0.000025339 -0.000003067 -0.000031946 0.000018996 -0.000014846 -0.000009159 -0.000009574 0.000018819 -0.000007897 0.000001134 -0.000005627 0.000020069 -0.000000007 0.000001102 -0.000005294 -0.000001586 0.000003008 -0.000005657 -0.000002084 0.000000466 -0.000000121 0.000001682 0.000001055 -0.000001068 -0.000000475 0.000021246 -0.000001991 -0.000008914 -0.000027400 0.000009601 0.000005889 0.000022912 0.000012320 -0.000004191 -0.000008654 -0.000002654 -0.000000033 -0.000001409 0.000005048 -0.000001191 -0.000003445 -0.000004620 0.000003584 -0.000004649 -0.000000276 0.000006077 -0.000018164 -0.000000517 -0.000008619 0.000006606 -0.000005250 0.000003711 0.000001836 0.000001357 -0.000004529 -0.000004666 0.000002290 0.000016584 0.000009148 0.000017348 0.000000410 -0.000008370 0.000003207 -0.000000414 0.000001331 -0.000006443 0.000005151 0.000008597 0.000000446 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:.8582,1.0538,.0905;1.9401,-.8919,-.1074;3.2674,-1.5723,-.1892;4.2147,-.4629,.3343;3.473,.8779,.1139;3.3073,-2.4951,.4035;3.4823,-1.8401,-1.2359;5.1946,-.477,-.1598;3.7615,1.38,-.8245;2.097,.4432,.0453;.6963,-1.2372,-.1766;.0162,-.0457,-.0733;4.387,-.6079,1.4109;3.6181,1.5925,.9359;-1.3932,-.0761,-.1284;-2.1122,.9894,-.6588;-2.061,-1.2128,.3385;-3.5098,.9451,-.7231;-3.4463,-1.2579,.2789;-4.1955,-.1894,-.2528;.6345,2.5211,.3424;1.6332,3.2002,.4513;-.4607,3.0061,.4577;-1.5124,-2.0583,.7495;-1.6141,1.8727,-1.0521;-5.5596,-.2312,-.254;-4.0993,2.0519,-1.222;-4.0886,-2.3623,.7589;-4.742,-2.1802,1.9984;-5.1867,-3.1459,2.2713;-4.0233,-1.8818,2.7809;-5.5356,-1.4184,1.9299;-6.1539,-1.2058,-1.0882;-5.868,-2.2246,-.786;-7.2408,-1.0849,-.9938;-5.8654,-1.0517,-2.1428;-5.2981,1.9797,-1.9565;-6.1763,1.8631,-1.3069;-5.3748,2.925,-2.51;-5.2749,1.1494,-2.6832; Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 114 C1[X(C14H19BN3O3)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:.8582,1.0538,.0905;1.9401,-.8919,-.1074;3.2674,-1.5723,-.1892;4.2147,-.4629,.3343;3.473,.8779,.1139;3.3073,-2.4951,.4035;3.4823,-1.8401,-1.2359;5.1946,-.477,-.1598;3.7615,1.38,-.8245;2.097,.4432,.0453;.6963,-1.2372,-.1766;.0162,-.0457,-.0733;4.387,-.6079,1.4109;3.6181,1.5925,.9359;-1.3932,-.0761,-.1284;-2.1122,.9894,-.6588;-2.061,-1.2128,.3385;-3.5098,.9451,-.7231;-3.4463,-1.2579,.2789;-4.1955,-.1894,-.2528;.6345,2.5211,.3424;1.6332,3.2002,.4513;-.4607,3.0061,.4577;-1.5124,-2.0583,.7495;-1.6141,1.8727,-1.0521;-5.5596,-.2312,-.254;-4.0993,2.0519,-1.222;-4.0886,-2.3623,.7589;-4.742,-2.1802,1.9984;-5.1867,-3.1459,2.2713;-4.0233,-1.8818,2.7809;-5.5356,-1.4184,1.9299;-6.1539,-1.2058,-1.0882;-5.868,-2.2246,-.786;-7.2408,-1.0849,-.9938;-5.8654,-1.0517,-2.1428;-5.2981,1.9797,-1.9565;-6.1763,1.8631,-1.3069;-5.3748,2.925,-2.51;-5.2749,1.1494,-2.6832; 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 12 12 12 12 12 1 1 1 1 14 14 14 1 1 12 12 12 12 12 12 11 1 1 1 1 16 16 16 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 11.0093053 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 1 1 1 2 2 2 1 1 0 0 0 0 0 0 3 1 1 1 1 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 4.5500000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 2.7500000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "tay_8_rad.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 3 3 3 4 4 4 5 5 5 11 12 15 15 16 16 17 17 18 18 19 19 20 21 21 26 27 28 29 29 29 33 33 33 37 37 37 10 12 21 3 10 11 4 6 7 5 8 13 9 10 14 12 15 16 17 18 25 19 24 20 27 20 28 26 22 23 33 37 29 30 31 32 34 35 36 38 39 40 1.3818 1.3945 1.5055 1.4937 1.3529 1.2927 1.5499 1.0974 1.1016 1.5481 1.0974 1.0999 1.1026 1.4447 1.0988 1.3758 1.4107 1.3906 1.3987 1.3998 1.0877 1.3873 1.0884 1.4065 1.3496 1.4091 1.3648 1.3648 1.2126 1.2033 1.4139 1.4078 1.4129 1.0976 1.1036 1.1022 1.1004 1.0977 1.1042 1.0986 1.098 1.1037 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A72 A73 10 10 12 3 3 10 2 2 2 4 4 6 3 3 3 5 5 8 4 4 4 9 9 10 1 1 2 2 1 1 11 12 12 16 15 15 18 15 15 19 16 16 20 17 17 20 18 18 19 1 1 22 20 18 19 28 28 28 30 30 31 26 26 26 34 34 35 27 27 27 38 38 39 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 10 10 10 11 12 12 12 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 26 27 28 29 29 29 29 29 29 33 33 33 33 33 33 37 37 37 37 37 37 12 21 21 10 11 11 4 6 7 6 7 7 5 8 13 8 13 13 9 10 14 10 14 14 2 5 5 12 11 15 15 16 17 17 18 25 25 19 24 24 20 27 27 20 28 28 19 26 26 22 23 23 33 37 29 30 31 32 31 32 32 34 35 36 35 36 36 38 39 40 39 40 40 100.901 124.7053 134.2941 110.65 136.9167 112.4057 101.4542 112.6937 109.6383 113.4044 112.0635 107.557 106.2031 112.6168 109.3843 112.0105 109.1789 107.407 112.9635 101.6792 113.1763 110.2277 107.8208 110.914 109.6209 135.9992 114.3792 103.9072 113.146 128.6681 118.1821 120.9948 118.7819 120.2123 120.6333 121.5585 117.7993 119.264 121.1114 119.6243 119.7936 115.2837 124.9031 121.4968 118.7558 119.7451 118.5966 120.773 120.5634 116.0052 122.9624 121.0173 116.2154 121.5142 114.9516 106.9822 110.8334 111.5661 108.9883 109.3828 109.0323 111.5325 106.8283 110.9447 109.6128 108.8835 108.9899 112.1907 106.1557 111.3571 109.4941 109.0459 108.4924 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 12 12 21 21 10 10 21 21 10 10 12 12 10 10 10 11 11 11 3 3 11 11 3 10 2 2 2 6 6 6 7 7 7 3 3 3 8 8 8 13 13 13 4 4 9 9 14 14 2 2 1 1 11 11 12 12 17 17 12 12 16 16 15 15 25 25 15 15 24 24 16 16 27 27 16 20 17 17 28 28 17 20 18 19 20 20 20 18 18 18 19 19 19 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 11 11 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 26 26 26 27 27 27 28 28 28 10 10 10 10 12 12 12 12 21 21 21 21 3 3 3 3 3 3 10 10 10 10 11 11 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 10 10 10 10 10 10 12 12 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 27 27 20 20 20 20 28 28 26 26 33 33 33 37 37 37 29 29 29 2 5 2 5 11 15 11 15 22 23 22 23 4 6 7 4 6 7 1 5 1 5 12 12 5 8 13 5 8 13 5 8 13 9 10 14 9 10 14 9 10 14 1 2 1 2 1 2 1 15 16 17 16 17 18 25 18 25 19 24 19 24 20 27 20 27 20 28 20 28 19 26 19 26 37 37 18 26 18 26 29 29 33 33 34 35 36 38 39 40 30 31 32 -1.0308 178.6334 175.7896 -4.5462 1.4214 -179.3088 -174.9261 4.3438 3.3523 -175.2432 178.9882 0.3928 15.1217 136.7249 -103.5141 -167.013 -45.4099 74.3511 178.7641 -0.9799 0.3412 -179.4028 -177.2958 0.5435 -22.761 -145.7073 94.9433 -143.8679 93.1859 -26.1636 94.1196 -28.8266 -148.1761 -95.8102 22.2915 141.3044 27.5172 145.6189 -95.3682 146.3491 -95.5492 23.4637 166.6672 -13.68 -73.2834 106.3694 46.0553 -134.2919 -1.2686 179.3781 31.8053 -149.4 -148.9564 29.8383 179.2995 0.4102 0.5219 -178.3674 -179.472 0.7266 -0.6676 179.531 -0.2839 178.1828 178.6462 -2.8872 0.5894 -178.866 -179.6061 0.9385 0.1944 177.2318 -178.115 -1.0776 147.8414 -33.7812 -0.354 -177.3978 179.0961 2.0523 105.8378 -73.6273 115.9772 -67.0437 61.8518 -178.3909 -59.72 78.7544 -161.6822 -43.7876 -178.5253 -59.8255 61.8819 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00151 0.00154 0.00267 0.00301 0.00402 0.00413 0.00789 0.00861 0.01044 0.01160 0.01241 0.01352 0.01837 0.01885 0.01991 0.02017 0.02148 0.02350 0.02616 0.02670 0.02801 0.02908 0.03305 0.03544 0.03560 0.03969 0.04055 0.04393 0.04474 0.04690 0.05653 0.06219 0.06579 0.07107 0.07790 0.08270 0.08518 0.08579 0.08615 0.08677 0.08750 0.08824 0.09041 0.09848 0.09886 0.10676 0.11243 0.13132 0.13345 0.13348 0.14944 0.17482 0.18035 0.18409 0.18612 0.18692 0.18772 0.19217 0.19480 0.19537 0.19910 0.20251 0.21062 0.21700 0.22269 0.22577 0.23024 0.23494 0.23934 0.24483 0.24645 0.25244 0.27273 0.27453 0.30152 0.30613 0.31039 0.32423 0.33147 0.33278 0.33347 0.33511 0.33959 0.34156 0.34313 0.34416 0.34442 0.34818 0.34863 0.34975 0.35065 0.35069 0.35141 0.35464 0.36607 0.37331 0.37542 0.38222 0.39161 0.40008 0.40448 0.41150 0.42283 0.44041 0.44549 0.47249 0.48228 0.49246 0.49885 0.51010 0.53147 0.55953 0.63096 0.68196 Angle between quadratic step and forces= 70.64 degrees. 1 2 0.00095259 0.00000048 0.00000029 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 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 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 2.61126 2.63528 2.84505 2.82271 2.55667 2.44286 2.92894 2.07379 2.08166 2.92551 2.07382 2.07854 2.08367 2.73012 2.07638 2.59995 2.66587 2.62778 2.64308 2.64528 2.05537 2.62170 2.05682 2.65795 2.55035 2.66287 2.57915 2.57905 2.29151 2.27400 2.67182 2.66036 2.67008 2.07416 2.08554 2.08284 2.07938 2.07437 2.08660 2.07601 2.07499 2.08565 1.76105 2.17652 2.34387 1.93121 2.38965 1.96185 1.77071 1.96688 1.91355 1.97928 1.95588 1.87722 1.85359 1.96553 1.90912 1.95495 1.90553 1.87461 1.97158 1.77464 1.97530 1.92384 1.88183 1.93581 1.91325 2.37363 1.99629 1.81352 1.97477 2.24568 2.06267 2.11176 2.07314 2.09810 2.10545 2.12160 2.05599 2.08155 2.11379 2.08784 2.09079 2.01208 2.17997 2.12052 2.07268 2.08995 2.06990 2.10789 2.10423 2.02467 2.14610 2.11215 2.02834 2.12082 2.00628 1.86719 1.93441 1.94720 1.90220 1.90909 1.90297 1.94661 1.86451 1.93635 1.91310 1.90038 1.90223 1.95810 1.85277 1.94355 1.91103 1.90321 1.89355 -0.01799 3.11774 3.06811 -0.07935 0.02481 -3.12953 -3.05304 0.07581 0.05851 -3.05857 3.12393 0.00685 0.26392 2.38630 -1.80666 -2.91493 -0.79255 1.29767 3.12002 -0.01710 0.00595 -3.13117 -3.09439 0.00949 -0.39725 -2.54307 1.65707 -2.51097 1.62640 -0.45664 1.64270 -0.50312 -2.58616 -1.67220 0.38906 2.46623 0.48027 2.54153 -1.66449 2.55427 -1.66765 0.40952 2.90889 -0.23876 -1.27904 1.85650 0.80382 -2.34384 -0.02214 3.13074 0.55511 -2.60752 -2.59978 0.52078 3.12937 0.00716 0.00911 -3.11310 -3.13238 0.01268 -0.01165 3.13341 -0.00495 3.10988 3.11796 -0.05039 0.01029 -3.12180 -3.13472 0.01638 0.00339 3.09328 -3.10869 -0.01881 2.58032 -0.58959 -0.00618 -3.09618 3.12582 0.03582 1.84722 -1.28504 2.02418 -1.17013 1.07952 -3.11351 -1.04231 1.37452 -2.82189 -0.76424 -3.11585 -1.04415 1.08004 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00003 0.00002 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00003 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -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 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00002 0.00001 0.00003 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 0.00000 -0.00003 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00003 -0.00003 0.00000 0.00005 0.00001 -0.00001 -0.00001 -0.00001 -0.00006 -0.00004 0.00004 -0.00001 -0.00002 0.00000 -0.00001 0.00002 -0.00006 -0.00002 0.00000 -0.00001 -0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00020 0.00018 0.00002 -0.00003 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00002 -0.00003 0.00009 -0.00006 0.00006 -0.00000 -0.00005 0.00001 0.00002 -0.00004 0.00002 0.00002 -0.00003 0.00005 0.00006 -0.00012 0.00002 -0.00004 0.00001 -0.00005 -0.00010 0.00014 -0.00009 0.00018 -0.00008 0.00009 -0.00011 0.00007 0.00005 -0.00002 -0.00001 -0.00003 0.00001 -0.00001 0.00007 -0.00006 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00008 -0.00006 0.00005 -0.00002 -0.00005 0.00008 -0.00027 -0.00006 -0.00041 -0.00010 0.00033 0.00008 0.00051 0.00030 -0.00003 0.00009 -0.00023 -0.00017 -0.00018 -0.00020 -0.00029 -0.00030 -0.00032 -0.00013 0.00014 -0.00004 0.00023 0.00010 -0.00002 0.00014 0.00014 0.00015 0.00014 0.00015 0.00016 0.00014 0.00015 0.00016 -0.00006 -0.00006 -0.00006 -0.00006 -0.00007 -0.00006 -0.00007 -0.00008 -0.00007 0.00032 -0.00004 0.00034 -0.00003 0.00033 -0.00004 0.00008 -0.00030 -0.00155 -0.00151 -0.00110 -0.00106 0.00001 0.00009 -0.00004 0.00005 -0.00013 0.00003 -0.00008 0.00007 0.00016 -0.00018 0.00008 -0.00026 0.00008 0.00027 -0.00007 0.00012 -0.00016 -0.00034 0.00021 0.00003 -0.00087 -0.00122 0.00004 0.00023 -0.00015 0.00004 -0.00022 -0.00003 0.00052 0.00033 0.00040 0.00038 0.00034 0.00013 0.00025 0.00020 0.00029 0.00028 0.00025 0.00002 0.00001 0.00002 0.00000 -0.00003 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00003 -0.00003 0.00000 0.00005 0.00001 -0.00001 -0.00001 -0.00001 -0.00006 -0.00004 0.00004 -0.00001 -0.00002 0.00000 -0.00001 0.00002 -0.00006 -0.00002 0.00000 -0.00001 -0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00020 0.00018 0.00002 -0.00003 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00002 -0.00003 0.00009 -0.00006 0.00006 -0.00000 -0.00005 0.00001 0.00002 -0.00004 0.00002 0.00002 -0.00003 0.00005 0.00006 -0.00012 0.00002 -0.00004 0.00001 -0.00005 -0.00010 0.00014 -0.00009 0.00018 -0.00008 0.00009 -0.00011 0.00007 0.00005 -0.00002 -0.00001 -0.00003 0.00001 -0.00001 0.00007 -0.00006 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00008 -0.00006 0.00005 -0.00002 -0.00005 0.00008 -0.00027 -0.00006 -0.00041 -0.00010 0.00033 0.00008 0.00051 0.00030 -0.00003 0.00009 -0.00023 -0.00017 -0.00018 -0.00020 -0.00029 -0.00030 -0.00032 -0.00013 0.00014 -0.00004 0.00023 0.00010 -0.00002 0.00014 0.00014 0.00015 0.00014 0.00015 0.00016 0.00014 0.00015 0.00016 -0.00006 -0.00006 -0.00006 -0.00006 -0.00007 -0.00006 -0.00007 -0.00008 -0.00007 0.00032 -0.00004 0.00034 -0.00003 0.00033 -0.00004 0.00008 -0.00030 -0.00155 -0.00151 -0.00110 -0.00106 0.00001 0.00009 -0.00004 0.00005 -0.00013 0.00003 -0.00008 0.00007 0.00016 -0.00018 0.00008 -0.00026 0.00008 0.00027 -0.00007 0.00012 -0.00016 -0.00034 0.00021 0.00003 -0.00087 -0.00122 0.00004 0.00023 -0.00015 0.00004 -0.00022 -0.00003 0.00052 0.00033 0.00040 0.00038 0.00034 0.00013 0.00025 0.00020 0.00029 0.00028 0.00025 2.61128 2.63529 2.84507 2.82271 2.55664 2.44286 2.92894 2.07379 2.08165 2.92551 2.07382 2.07853 2.08367 2.73012 2.07638 2.59997 2.66584 2.62778 2.64313 2.64529 2.05536 2.62169 2.05680 2.65789 2.55031 2.66291 2.57913 2.57903 2.29151 2.27399 2.67184 2.66030 2.67005 2.07416 2.08553 2.08283 2.07935 2.07437 2.08658 2.07602 2.07500 2.08566 1.76106 2.17632 2.34405 1.93123 2.38962 1.96185 1.77072 1.96687 1.91354 1.97927 1.95590 1.87722 1.85361 1.96553 1.90912 1.95494 1.90554 1.87460 1.97160 1.77464 1.97529 1.92382 1.88182 1.93582 1.91325 2.37363 1.99630 1.81354 1.97474 2.24577 2.06261 2.11181 2.07313 2.09805 2.10546 2.12162 2.05595 2.08157 2.11381 2.08781 2.09084 2.01214 2.17985 2.12054 2.07264 2.08996 2.06985 2.10778 2.10437 2.02458 2.14628 2.11207 2.02843 2.12072 2.00635 1.86724 1.93439 1.94719 1.90218 1.90910 1.90296 1.94667 1.86445 1.93636 1.91309 1.90038 1.90222 1.95810 1.85285 1.94348 1.91109 1.90319 1.89350 -0.01791 3.11747 3.06805 -0.07976 0.02471 -3.12920 -3.05296 0.07632 0.05881 -3.05860 3.12403 0.00662 0.26376 2.38612 -1.80686 -2.91521 -0.79285 1.29736 3.11989 -0.01696 0.00591 -3.13094 -3.09430 0.00946 -0.39712 -2.54293 1.65722 -2.51083 1.62655 -0.45648 1.64284 -0.50297 -2.58600 -1.67226 0.38900 2.46617 0.48020 2.54146 -1.66455 2.55420 -1.66773 0.40944 2.90922 -0.23881 -1.27870 1.85647 0.80414 -2.34388 -0.02206 3.13043 0.55355 -2.60903 -2.60088 0.51972 3.12937 0.00725 0.00907 -3.11305 -3.13250 0.01271 -0.01173 3.13348 -0.00479 3.10970 3.11804 -0.05065 0.01037 -3.12153 -3.13479 0.01650 0.00323 3.09294 -3.10848 -0.01878 2.57945 -0.59082 -0.00614 -3.09594 3.12567 0.03586 1.84700 -1.28507 2.02470 -1.16981 1.07991 -3.11313 -1.04197 1.37465 -2.82164 -0.76404 -3.11556 -1.04387 1.08029 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000006 0.004090 0.000953 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -5.234236e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 410 A 389 A 389 658 410 77 76 1675.9825667152 40 40 40 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 -0.0296500688 0.000000 2.235037 0.000000 3.574707 1.493716 0.000000 3.691336 2.356474 1.549927 0.000000 2.620817 2.351861 2.477506 1.548114 0.000000 4.323225 2.168020 1.097403 2.226616 3.389491 0.000000 4.125442 2.133220 1.101565 2.213231 3.034752 1.773995 0.000000 4.605404 3.281216 2.216942 1.097419 2.207810 2.819878 2.438880 0.000000 3.061470 2.998844 3.060038 2.223603 1.102633 4.090248 3.258215 2.437999 0.000000 1.381818 1.352932 2.342432 2.321503 1.444717 3.197897 2.962023 3.237855 2.098706 0.000000 2.312137 1.292707 2.592845 3.638661 3.502630 2.955711 3.040911 4.562093 4.082228 2.198814 0.000000 1.394530 2.102132 3.593663 4.238911 3.583040 4.130216 4.072498 5.197070 4.077278 2.140787 1.375834 0.000000 4.117821 2.893575 2.178010 1.099914 2.173768 2.396202 3.056466 1.770973 3.056118 2.865939 4.066561 4.650043 0.000000 2.936256 3.174337 3.377137 2.223260 1.098776 4.133827 4.064211 2.822881 1.778953 2.104239 4.216815 4.083627 2.378829 0.000000 2.528478 3.431746 4.895198 5.640241 4.964749 5.313105 5.301689 6.600000 5.401380 3.532848 2.390887 1.410720 6.005169 5.387889 0.000000 3.064167 4.501662 5.976864 6.567023 5.639537 6.530052 6.295801 7.469163 5.888980 4.302502 3.616358 2.438068 7.005305 5.978526 1.390560 0.000000 3.704148 4.038663 5.366480 6.320382 5.920072 5.519716 5.796536 7.309794 6.478919 4.485225 2.805104 2.417930 6.564438 6.362272 1.398656 2.418115 0.000000 4.444530 5.784116 7.249353 7.922741 7.033182 7.718674 7.543851 8.837793 7.285018 5.681464 4.769984 3.719753 8.326182 7.347006 2.424218 1.399820 2.807661 0.000000 4.889614 5.412668 6.737321 7.702399 7.243379 6.867163 7.116079 8.687197 7.754234 5.803157 4.167636 3.685409 7.941292 7.646053 2.403758 2.776624 1.387345 2.421007 0.000000 5.215651 6.177394 7.590151 8.435108 7.751096 7.876475 7.914457 9.394904 8.130349 6.331197 5.003305 4.217888 8.752198 8.101813 2.807348 2.427839 2.439899 1.406527 1.409131 0.000000 1.505537 3.681831 4.896003 4.660765 3.287769 5.684189 5.442492 5.480413 3.527286 2.558323 3.794473 2.672773 5.001356 3.180589 3.328448 3.300445 4.605232 4.560128 5.562218 5.570433 0.000000 2.310407 4.141475 5.085037 4.482899 2.981869 5.936412 5.627612 5.155403 3.077406 2.825083 4.578470 3.664140 4.796407 2.599797 4.497673 4.488672 5.756273 5.737238 6.760629 6.779277 1.212613 0.000000 2.384561 4.612826 5.939632 5.823184 4.485722 6.668152 6.473099 6.670499 4.702701 3.644267 4.443714 3.134153 6.121258 4.343197 3.273055 2.835681 4.513813 3.865134 5.208415 4.966316 1.203350 2.102932 0.000000 3.967210 3.743592 4.895228 5.959660 5.820637 4.851821 5.379197 6.950586 6.489424 4.447567 2.531822 2.657819 6.110901 6.299570 2.171193 3.410527 1.088420 3.895998 2.145277 3.419994 5.074037 6.134755 5.180653 0.000000 2.844045 4.600875 6.036667 6.430576 5.312980 6.739175 6.308024 7.257751 5.402882 4.125515 3.971877 2.701093 6.944944 5.604096 2.167900 1.087656 3.413821 2.136031 3.863856 3.399215 2.724183 3.816745 2.212339 4.325371 0.000000 6.554249 7.530204 8.928502 9.794769 9.107904 9.174962 9.236222 10.757396 9.476481 7.692060 6.336744 5.581761 10.091962 9.432454 4.171212 3.679441 3.681709 2.409399 2.409163 1.364775 6.804249 8.000529 6.081538 4.552504 4.542079 0.000000 5.224566 6.810531 8.274643 8.824381 7.778368 8.841696 8.522211 9.690191 7.899454 6.525959 5.908380 4.759872 9.274877 8.026524 3.612132 2.322632 4.153139 1.349587 3.692418 2.443768 5.007620 6.081143 4.119594 5.241444 2.497466 2.877851 0.000000 6.048763 6.265633 7.458765 8.528402 8.251901 7.405655 7.846637 9.517142 8.839445 6.829485 5.003638 4.786285 8.679755 8.664010 3.644138 4.141314 2.368396 3.670231 1.364825 2.399328 6.806587 7.985971 6.486339 2.594118 5.228648 2.780593 4.838374 0.000000 6.742497 7.123560 8.324974 9.270497 8.966097 8.211876 8.843911 10.309933 9.641221 7.580837 5.932547 5.611459 9.282003 9.233293 4.490606 4.901365 3.298307 4.323482 2.342259 3.054510 7.331593 8.484460 6.899372 3.464837 5.959519 3.088755 5.356763 1.412945 0.000000 7.676812 7.844082 8.944300 9.966786 9.789588 8.721245 9.442214 10.991056 10.494598 8.419521 6.651654 6.494449 9.941614 10.087577 5.438113 5.927808 4.152365 5.339913 3.250090 4.011818 8.349973 9.491891 7.966862 4.122991 6.999641 3.874522 6.356326 2.026588 1.097597 0.000000 6.299579 6.699562 7.878470 8.710002 8.421629 7.730828 8.512865 9.777001 9.178261 7.095559 5.606823 5.275884 8.615776 8.594492 4.317671 4.871144 3.203615 4.531377 2.642388 3.478139 6.857661 7.952979 6.479280 3.234518 5.881572 3.780953 5.612786 2.079321 1.103622 1.791919 0.000000 7.097614 7.766243 9.055752 9.926158 9.472433 9.038078 9.566711 10.972244 10.092259 8.079246 6.580799 6.059663 9.969139 9.687301 4.816482 4.921286 3.827235 4.090059 2.667736 2.840920 7.490716 8.655060 6.891910 4.241361 5.924739 2.485878 4.903135 2.087130 1.102191 1.795141 1.796147 0.000000 7.460875 8.159244 9.471121 10.492062 9.922926 9.664439 9.658104 11.409664 10.250371 8.490044 6.910631 6.359645 10.849506 10.364287 4.986168 4.619380 4.334421 3.427942 3.033540 2.359326 7.875212 9.078667 7.248613 5.064298 5.485308 1.413865 3.853878 3.002412 3.531210 3.998174 4.468342 3.088081 0.000000 7.533786 7.950056 9.178048 10.296611 9.883849 9.256069 9.368964 11.217262 10.282075 8.440925 6.666067 6.314965 10.611510 10.369220 5.007264 4.944897 4.096539 3.951171 2.816566 2.687703 8.128816 9.339570 7.625332 4.621362 5.912226 2.086103 4.648321 2.360523 3.003780 3.265030 4.030316 2.852493 1.100360 0.000000 8.446531 9.225644 10.550197 11.549034 10.948337 10.733321 10.752347 12.478138 11.276277 9.518890 7.980521 7.388551 11.883386 11.349332 5.996795 5.542344 5.349952 4.256084 4.005968 3.259622 8.764094 9.959859 8.050639 6.066422 6.356957 2.025490 4.445312 3.826260 4.049294 4.373589 5.023549 3.401034 1.097710 1.796284 0.000000 7.391076 8.068138 9.353892 10.396728 9.799120 9.628398 9.424594 11.251047 10.016382 8.391799 6.852482 6.315662 10.859863 10.315353 5.001061 4.522714 4.544957 3.398739 3.429149 2.665406 7.822412 9.002091 7.241490 5.322363 5.274049 2.081911 3.687766 3.646192 4.436762 4.932621 5.322158 4.102465 1.104179 1.793449 1.792483 0.000000 6.553505 8.003619 9.439713 10.085080 9.079303 9.982343 9.602371 10.925224 9.149741 7.813833 7.032051 5.990840 10.575253 9.381592 4.776703 3.579766 5.092981 2.406148 4.348345 2.970398 6.385460 7.438475 5.502943 6.161136 3.794951 2.802630 1.407804 5.262093 5.766718 6.645177 6.243353 5.167936 3.410869 4.401209 3.753988 3.089652 0.000000 7.217542 8.654816 10.111121 10.773962 9.803040 10.576325 10.344418 11.665741 9.961253 8.502507 7.623797 6.596361 11.183705 10.051549 5.294129 4.207192 5.394852 2.879865 4.439353 3.040941 7.038528 8.115956 6.090055 6.431014 4.569400 2.423754 2.087354 5.145861 5.415693 6.234755 5.947231 4.653502 3.076757 4.132178 3.149814 3.048145 1.098579 0.000000 7.008142 8.593514 10.014884 10.560581 9.452951 10.641592 10.137835 11.349334 9.417998 8.277416 7.721774 6.619955 11.097086 9.722144 5.525489 4.221043 6.017984 3.254298 5.384482 4.022987 6.664097 7.612945 5.741208 7.097506 4.168369 3.883883 2.011926 6.347837 6.840182 7.729877 7.274945 6.213134 4.437562 5.452769 4.675421 4.023580 1.098038 1.793783 0.000000 6.731833 7.928301 9.305788 10.087484 9.188209 9.821602 9.365844 10.891375 9.228407 7.892258 6.901722 6.019515 10.639573 9.611365 4.805866 3.758472 5.003997 2.645552 4.232322 2.977280 6.779118 7.858296 6.040591 6.019049 4.072470 2.808563 2.081278 5.058416 5.769519 6.557779 6.372690 5.286056 2.977237 3.915953 3.422129 2.342130 1.103679 1.793406 1.786774 0.000000 C14H19BN3O3(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 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:-2.4115,-.9791,.5003;-3.4177,.7337,-.524;-4.7154,1.332,-.9588;-5.7274,.5253,-.1059;-5.016,-.7964,.2729;-4.7626,2.4143,-.7833;-4.8574,1.164,-2.0382;-6.6743,.3469,-.6312;-5.2621,-1.628,-.4081;-3.6254,-.4308,.1326;-2.1617,1.0176,-.6385;-1.5269,-.0385,-.0265;-5.9605,1.086,.8112;-5.2334,-1.126,1.2983;-.1166,-.0389,.0077;.5998,-1.2306,-.0079;.5568,1.1868,.0321;1.9994,-1.2218,.0116;1.9439,1.1982,.0546;2.6902,.003,.0412;-2.2497,-2.2274,1.3262;-3.274,-2.8031,1.6258;-1.1794,-2.632,1.6986;.0108,2.1284,.0368;.0992,-2.1951,-.0533;4.0525,.0347,.1171;2.5833,-2.4384,.0324;2.5899,2.3995,.102;3.1603,2.7206,1.3542;3.6175,3.7133,1.2531;2.386,2.7601,2.1396;3.9323,1.9904,1.6469;4.727,.5962,-.9914;4.4553,1.6525,-1.1368;5.8018,.5176,-.7827;4.4989,.038,-1.9164;3.8265,-2.6687,-.5868;4.6665,-2.3081,.0225;3.9071,-3.7562,-.715;3.8737,-2.1943,-1.5822; 0.6643294 0.1575279 0.1350137 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= 407 407 407 407 407 MxSgAt= 40 MxSgA2= 40. 1 open 1 1 1 -958.618534529030 -958.618534529 1 0.7590 9.490332252205e+02 -5.581071712640e+03 1.997467036244e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572517522 LenY= 1572348981 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. 0.7590 Using compressed storage, NAtomX= 40. Will process 41 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111111111 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. 12159 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= 120 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= 120 NMatS0= 120 NMatT0= 0 NMatD0= 120 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 123 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 120 vectors produced by pass 0 Test12= 4.78D-14 1.00D-09 XBig12= 2.32D+02 4.47D+00. AX will form 120 AO Fock derivatives at one time. 120 vectors produced by pass 1 Test12= 4.78D-14 1.00D-09 XBig12= 3.05D+01 9.08D-01. 120 vectors produced by pass 2 Test12= 4.78D-14 1.00D-09 XBig12= 9.10D-01 1.81D-01. 120 vectors produced by pass 3 Test12= 4.78D-14 1.00D-09 XBig12= 1.56D-02 1.50D-02. 120 vectors produced by pass 4 Test12= 4.78D-14 1.00D-09 XBig12= 1.79D-04 1.36D-03. 120 vectors produced by pass 5 Test12= 4.78D-14 1.00D-09 XBig12= 1.87D-06 1.30D-04. 119 vectors produced by pass 6 Test12= 4.78D-14 1.00D-09 XBig12= 1.70D-08 1.16D-05. 70 vectors produced by pass 7 Test12= 4.78D-14 1.00D-09 XBig12= 1.66D-10 9.49D-07. 14 vectors produced by pass 8 Test12= 4.78D-14 1.00D-09 XBig12= 1.56D-12 7.76D-08. 3 vectors produced by pass 9 Test12= 4.78D-14 1.00D-09 XBig12= 1.38D-14 7.69D-09. InvSVY: IOpt=1 It= 1 EMax= 7.65D-15 Solved reduced A of dimension 926 with 123 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 206.34 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 281.414 4.985 204.927 -5.734 -15.725 132.664 248.414 3.262 228.901 -1.751 -17.498 156.047 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 C C C C C H H H H N N N H H C C C C C C B H H H H O O O C H H H C H H H C H H H 13 13 13 13 13 1 1 1 1 14 14 14 1 1 13 13 13 13 13 13 11 1 1 1 1 17 17 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.01075 -0.01582 0.00108 -0.00048 -0.00661 -0.00078 -0.00135 0.00001 0.00294 0.04354 0.02122 0.06882 0.00008 0.00191 -0.01682 0.00924 0.01005 -0.00700 -0.00657 0.00833 0.04373 -0.00584 -0.00596 -0.00062 -0.00085 0.00296 -0.00103 -0.00151 -0.00156 0.00000 0.00001 0.00002 0.00292 0.00001 -0.00001 0.00000 -0.00049 -0.00004 -0.00000 -0.00003 -12.08670 -17.78293 1.21916 -0.53956 -7.42839 -3.49837 -6.04989 0.02384 13.14192 14.06744 6.85762 22.23720 0.37007 8.54876 -18.91242 10.38370 11.29343 -7.86835 -7.38566 9.36842 62.73023 -26.12460 -26.63215 -2.75595 -3.79053 -1.79625 0.62304 0.91831 -1.75165 0.01189 0.04688 0.07698 3.27885 0.03573 -0.05838 0.01333 -0.54641 -0.19706 -0.00657 -0.12124 -4.31284 -6.34539 0.43503 -0.19253 -2.65063 -1.24831 -2.15875 0.00850 4.68936 5.01961 2.44697 7.93479 0.13205 3.05041 -6.74842 3.70516 4.02978 -2.80762 -2.63539 3.34288 22.38371 -9.32191 -9.50301 -0.98339 -1.35255 -0.64095 0.22232 0.32768 -0.62503 0.00424 0.01673 0.02747 1.16997 0.01275 -0.02083 0.00476 -0.19497 -0.07032 -0.00234 -0.04326 -4.03169 -5.93175 0.40667 -0.17998 -2.47784 -1.16693 -2.01803 0.00795 4.38367 4.69239 2.28745 7.41753 0.12344 2.85156 -6.30850 3.46363 3.76708 -2.62460 -2.46359 3.12497 20.92455 -8.71423 -8.88353 -0.91929 -1.26438 -0.59917 0.20782 0.30632 -0.58429 0.00397 0.01564 0.02568 1.09371 0.01192 -0.01947 0.00445 -0.18226 -0.06573 -0.00219 -0.04044 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 -0.105657 0.030121 0.000747 0.002711 0.007636 0.000426 0.000410 0.001750 0.005295 -0.165139 -0.096828 -0.262468 0.001796 0.006722 0.025541 -0.021686 -0.017843 0.014128 0.013579 -0.021811 -0.119876 0.003951 0.008396 -0.000488 0.005937 -0.006781 0.006513 0.001789 0.000549 0.000253 0.000431 0.000388 0.001039 0.000367 0.000805 0.000632 0.000341 0.000606 0.000599 0.000621 -0.014329 0.007595 0.000933 -0.000564 -0.002977 0.000673 -0.000260 -0.000757 -0.002695 -0.051428 -0.018327 -0.062175 -0.000090 -0.003484 0.012747 -0.016332 -0.017621 0.009580 0.010933 -0.024651 0.005854 -0.000271 -0.007104 0.003086 -0.000953 -0.005040 0.007458 0.003316 0.000438 0.000077 0.000152 0.000022 -0.000844 0.000061 -0.000439 -0.000709 -0.000120 -0.000133 -0.000188 -0.000198 0.119986 -0.037715 -0.001680 -0.002148 -0.004659 -0.001100 -0.000149 -0.000993 -0.002601 0.216567 0.115155 0.324643 -0.001706 -0.003238 -0.038287 0.038018 0.035465 -0.023708 -0.024511 0.046462 0.114022 -0.003679 -0.001292 -0.002598 -0.004985 0.011822 -0.013972 -0.005106 -0.000987 -0.000330 -0.000583 -0.000410 -0.000195 -0.000428 -0.000367 0.000076 -0.000221 -0.000473 -0.000411 -0.000424 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 -0.002516 0.002145 -0.002335 -0.003149 -0.000015 -0.001664 -0.001130 -0.001092 0.001617 -0.007716 -0.003622 0.001952 -0.002255 -0.000124 0.001893 0.001587 0.004644 0.000441 0.000604 0.000599 -0.019518 0.018780 -0.016151 0.001149 0.001611 0.003039 -0.001367 0.001206 0.000379 0.000413 0.000784 0.000628 0.001192 0.000603 0.000236 0.000162 -0.000193 -0.000353 -0.000380 -0.000318 -0.009968 0.003946 0.001566 0.001381 0.000750 0.000610 0.001577 0.000899 0.002851 -0.007782 -0.011364 -0.002970 -0.000208 -0.001954 -0.000069 -0.003998 -0.005983 -0.000336 0.001235 -0.000119 -0.025666 -0.012570 0.013913 -0.000451 -0.002040 0.006605 -0.006056 0.003161 -0.000509 0.000061 0.000460 0.000135 -0.001557 -0.000287 -0.000242 -0.000683 -0.000222 -0.000106 -0.000220 -0.000404 0.125941 -0.039715 -0.001854 -0.000700 -0.001245 -0.000883 -0.001602 -0.000296 0.000192 0.211454 0.132024 0.335379 0.000161 -0.000414 -0.005943 -0.024987 -0.012797 0.000841 0.002053 0.001817 0.162363 0.001800 0.002380 -0.000404 0.001779 0.007467 0.000690 0.001687 -0.000247 0.000061 0.000317 0.000333 -0.001013 -0.000382 -0.000063 -0.000007 0.000032 0.000011 0.000067 0.000231 0.9839 -0.1345 0.1181 0.1759 0.8472 -0.5013 -0.0326 0.514 0.8572 -0.1065 -0.0894 0.1959 -14.293 -11.992 26.285 -5.1 -4.279 9.379 -4.767 -4.0 8.768 1 C 13 -0.0492 0.5016 0.8637 0.9433 0.3076 -0.1249 -0.3283 0.8086 -0.4883 -0.061 0.0303 0.0307 -8.186 4.066 4.12 -2.921 1.451 1.47 -2.731 1.356 1.374 2 C 13 -0.177 0.3548 0.918 0.7539 0.6485 -0.1053 -0.6327 0.6734 -0.3823 -0.0027 -0.0015 0.0042 -0.362 -0.199 0.561 -0.129 -0.071 0.2 -0.121 -0.066 0.187 3 C 13 -0.4894 -0.5165 0.7026 0.2446 0.6921 0.6791 0.8371 -0.5042 0.2123 -0.0026 -0.0024 0.005 -0.348 -0.317 0.665 -0.124 -0.113 0.237 -0.116 -0.106 0.222 4 C 13 -0.0506 0.4631 0.8849 0.0361 0.8863 -0.4618 0.9981 -0.0086 0.0615 -0.0054 -0.0023 0.0077 -0.718 -0.313 1.031 -0.256 -0.112 0.368 -0.24 -0.104 0.344 5 C 13 0.1094 0.4496 0.8865 0.7569 0.5404 -0.3674 -0.6443 0.7112 -0.2812 -0.0015 -0.0011 0.0025 -0.785 -0.564 1.35 -0.28 -0.201 0.482 -0.262 -0.188 0.45 6 H 1 -0.2344 0.5968 0.7674 0.7538 0.61 -0.2442 0.6139 -0.5213 0.5928 -0.0019 -0.001 0.0029 -1.001 -0.542 1.543 -0.357 -0.193 0.551 -0.334 -0.181 0.515 7 H 1 -0.3525 -0.2269 0.9079 0.2438 0.9144 0.3231 0.9035 -0.3352 0.2671 -0.0013 -0.0012 0.0024 -0.676 -0.615 1.292 -0.241 -0.219 0.461 -0.226 -0.205 0.431 8 H 1 -0.3429 0.4048 0.8477 -0.0247 0.8982 -0.439 0.9391 0.1714 0.298 -0.0037 -0.0028 0.0065 -1.954 -1.512 3.466 -0.697 -0.539 1.237 -0.652 -0.504 1.156 9 H 1 0.5606 0.7311 -0.3888 0.8278 -0.4828 0.2857 -0.0211 0.482 0.8759 -0.1698 -0.1633 0.3331 -6.549 -6.299 12.848 -2.337 -2.248 4.584 -2.184 -2.101 4.286 10 N 14 -0.5637 0.6919 -0.4512 0.825 0.4977 -0.2676 -0.0394 0.5231 0.8513 -0.1015 -0.0953 0.1968 -3.914 -3.677 7.59 -1.397 -1.312 2.708 -1.305 -1.226 2.532 11 N 14 0.9268 -0.3241 0.1894 0.3754 0.8029 -0.463 -0.002 0.5002 0.8659 -0.2638 -0.2546 0.5184 -10.173 -9.821 19.993 -3.63 -3.504 7.134 -3.393 -3.276 6.669 12 N 14 -0.0352 -0.1463 0.9886 0.5549 0.8199 0.141 0.8312 -0.5536 -0.0523 -0.0017 -0.0016 0.0033 -0.919 -0.848 1.766 -0.328 -0.302 0.63 -0.306 -0.283 0.589 13 H 1 0.1431 0.6549 0.742 -0.1185 0.7557 -0.6441 0.9826 -0.0042 -0.1857 -0.004 -0.0031 0.0071 -2.123 -1.661 3.784 -0.758 -0.593 1.35 -0.708 -0.554 1.262 14 H 1 -0.0023 0.1142 0.9934 -0.1506 0.9821 -0.1133 0.9886 0.1499 -0.015 -0.039 0.0131 0.0258 -5.229 1.764 3.466 -1.866 0.629 1.237 -1.744 0.588 1.156 15 C 13 -0.0063 0.9318 0.3629 0.9981 -0.0165 0.0597 -0.0616 -0.3626 0.9299 -0.0261 -0.022 0.048 -3.499 -2.946 6.444 -1.248 -1.051 2.3 -1.167 -0.983 2.15 16 C 13 -0.5947 0.7959 0.1135 0.795 0.5611 0.2306 -0.1198 -0.2274 0.9664 -0.0229 -0.0163 0.0392 -3.075 -2.187 5.263 -1.097 -0.781 1.878 -1.026 -0.73 1.755 17 C 13 0.0092 -0.0253 0.9996 -0.0941 0.9952 0.0261 0.9955 0.0944 -0.0067 -0.0237 0.0096 0.0142 -3.185 1.283 1.902 -1.136 0.458 0.679 -1.062 0.428 0.634 18 C 13 -0.0313 -0.057 0.9979 -0.2395 0.9697 0.0479 0.9704 0.2375 0.044 -0.0247 0.0109 0.0138 -3.31 1.461 1.85 -1.181 0.521 0.66 -1.104 0.487 0.617 19 C 13 -0.1964 0.9802 -0.0253 0.9805 0.1963 -0.0035 -0.0015 0.0255 0.9997 -0.0248 -0.0217 0.0465 -3.33 -2.911 6.241 -1.188 -1.039 2.227 -1.111 -0.971 2.082 20 C 13 0.9934 0.1097 0.0324 -0.0697 0.8053 -0.5887 -0.0907 0.5826 0.8077 -0.1229 -0.1111 0.234 -21.037 -19.029 40.066 -7.507 -6.79 14.296 -7.017 -6.347 13.364 21 B 11 0.6472 -0.5858 0.4878 -0.0976 0.5709 0.8152 0.756 0.5752 -0.3123 -0.0225 -9.0E-4 0.0234 -12.015 -0.487 12.503 -4.287 -0.174 4.461 -4.008 -0.163 4.17 22 H 1 0.5693 0.6831 -0.4575 -0.1048 0.6122 0.7837 0.8154 -0.3983 0.4201 -0.0222 -0.0013 0.0235 -11.824 -0.69 12.514 -4.219 -0.246 4.465 -3.944 -0.23 4.174 23 H 1 0.1838 0.0321 0.9824 0.9402 -0.2973 -0.1661 0.2868 0.9542 -0.0849 -0.0027 -8.0E-4 0.0035 -1.438 -0.412 1.85 -0.513 -0.147 0.66 -0.48 -0.137 0.617 24 H 1 0.2021 -0.3714 0.9062 -0.1045 0.9118 0.3971 0.9738 0.175 -0.1455 -0.0062 -4.0E-4 0.0065 -3.291 -0.194 3.485 -1.174 -0.069 1.244 -1.098 -0.065 1.162 25 H 1 0.8985 -0.418 -0.134 0.3266 0.8406 -0.4321 0.2932 0.3445 0.8918 -0.0092 -0.0077 0.0169 0.664 0.557 -1.221 0.237 0.199 -0.436 0.222 0.186 -0.407 26 O 17 0.263 -0.0132 0.9647 0.6016 0.784 -0.1532 0.7543 -0.6207 -0.2142 -0.0156 0.0063 0.0094 1.131 -0.454 -0.677 0.404 -0.162 -0.242 0.377 -0.151 -0.226 27 O 17 -0.3396 -0.119 0.933 0.7324 -0.6559 0.183 0.5902 0.7454 0.3099 -0.0065 0.0015 0.005 0.468 -0.108 -0.36 0.167 -0.039 -0.128 0.156 -0.036 -0.12 28 O 17 0.2681 0.0853 0.9596 -0.5966 0.7968 0.0958 0.7564 0.5982 -0.2645 -0.0012 1.0E-4 0.001 -0.155 0.017 0.138 -0.055 0.006 0.049 -0.052 0.006 0.046 29 C 13 -0.004 -0.1407 0.9901 -0.6341 0.7659 0.1063 0.7732 0.6274 0.0922 -3.0E-4 -3.0E-4 6.0E-4 -0.181 -0.137 0.317 -0.064 -0.049 0.113 -0.06 -0.046 0.106 30 H 1 -0.3395 -0.0349 0.9399 -0.5818 0.793 -0.1807 0.7391 0.6082 0.2896 -8.0E-4 -5.0E-4 0.0013 -0.406 -0.264 0.67 -0.145 -0.094 0.239 -0.135 -0.088 0.224 31 H 1 0.2883 -0.6301 0.721 -0.5822 0.4825 0.6544 0.7602 0.6084 0.2277 -6.0E-4 -3.0E-4 9.0E-4 -0.345 -0.152 0.497 -0.123 -0.054 0.177 -0.115 -0.051 0.166 32 H 1 -0.0551 0.8354 0.5468 0.659 -0.381 0.6485 0.7501 0.3961 -0.5296 -0.0016 -0.0012 0.0028 -0.213 -0.159 0.371 -0.076 -0.057 0.132 -0.071 -0.053 0.124 33 C 13 -0.0724 0.5242 0.8485 0.677 -0.5989 0.4278 0.7324 0.6054 -0.3115 -6.0E-4 -3.0E-4 0.001 -0.341 -0.186 0.527 -0.122 -0.066 0.188 -0.114 -0.062 0.176 34 H 1 -0.1303 0.9615 0.2421 0.2295 -0.2083 0.9508 0.9646 0.1794 -0.1935 -5.0E-4 -4.0E-4 9.0E-4 -0.26 -0.22 0.479 -0.093 -0.078 0.171 -0.087 -0.073 0.16 35 H 1 -0.1889 0.9706 -0.1494 0.5251 0.2284 0.8198 0.8298 0.0764 -0.5528 -7.0E-4 -4.0E-4 0.0011 -0.394 -0.194 0.588 -0.141 -0.069 0.21 -0.132 -0.065 0.196 36 H 1 0.378 0.2365 0.8951 0.2034 0.922 -0.3295 0.9032 -0.3066 -0.3004 -3.0E-4 -2.0E-4 5.0E-4 -0.041 -0.023 0.065 -0.015 -0.008 0.023 -0.014 -0.008 0.022 37 C 13 0.1265 0.0947 0.9874 0.3561 0.9248 -0.1343 0.9259 -0.3686 -0.0833 -5.0E-4 -3.0E-4 8.0E-4 -0.259 -0.144 0.403 -0.092 -0.051 0.144 -0.086 -0.048 0.135 38 H 1 0.2322 0.0855 0.9689 0.3379 0.927 -0.1628 0.9121 -0.3652 -0.1864 -5.0E-4 -3.0E-4 8.0E-4 -0.244 -0.18 0.425 -0.087 -0.064 0.152 -0.081 -0.06 0.142 39 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT9658.200S 2025-06-19T15:23:46.000 -19.27928 -19.27626 -19.27271 -14.52806 -14.50748 -14.47151 -10.37455 -10.35999 -10.35872 -10.35276 -10.35269 -10.34823 -10.34624 -10.34418 -10.34359 -10.34355 -10.33581 -10.33148 -10.29185 -10.29157 -6.80813 -1.18807 -1.16825 -1.15156 -1.13661 -1.06684 -0.96895 -0.93961 -0.91046 -0.85394 -0.84025 -0.83660 -0.80442 -0.77969 -0.77140 -0.74732 -0.72408 -0.70234 -0.68128 -0.67753 -0.63745 -0.62020 -0.61117 -0.60634 -0.60484 -0.57467 -0.56933 -0.56759 -0.55904 -0.55479 -0.54785 -0.54036 -0.53313 -0.53065 -0.52678 -0.51999 -0.50433 -0.49691 -0.47876 -0.47534 -0.47120 -0.46973 -0.45329 -0.43955 -0.43165 -0.42727 -0.41504 -0.40623 -0.40241 -0.38747 -0.38361 -0.37612 -0.36975 -0.34386 -0.30492 -0.29419 -0.21194 0.05896 0.07123 0.09391 0.11990 0.12783 0.13597 0.15503 0.16708 0.16755 0.17317 0.17954 0.18853 0.19096 0.19582 0.20657 0.20904 0.21272 0.21497 0.21769 0.22351 0.22492 0.23120 0.23311 0.24068 0.24563 0.25443 0.25583 0.26209 0.27394 0.28319 0.28669 0.29635 0.31036 0.31962 0.32428 0.34233 0.36071 0.37253 0.38087 0.38982 0.39232 0.39476 0.39819 0.40485 0.43109 0.44107 0.44716 0.46287 0.47565 0.48562 0.49217 0.51565 0.52065 0.52450 0.53480 0.54061 0.54167 0.54541 0.55010 0.55352 0.56574 0.57182 0.57594 0.58851 0.59935 0.60099 0.60826 0.62064 0.63543 0.64223 0.65283 0.65874 0.66550 0.67552 0.69020 0.69562 0.69863 0.70783 0.71100 0.71676 0.72034 0.72706 0.72930 0.73135 0.73411 0.73779 0.74160 0.74472 0.74782 0.75143 0.75264 0.75764 0.75914 0.76216 0.76482 0.76766 0.76998 0.77688 0.78379 0.78794 0.80135 0.80910 0.81498 0.82328 0.82854 0.84264 0.85458 0.86228 0.88110 0.88565 0.89224 0.90045 0.91788 0.93887 0.94816 0.95301 0.96090 0.98245 1.01058 1.01844 1.02712 1.04367 1.06143 1.07010 1.08258 1.10012 1.12406 1.12593 1.12947 1.14678 1.15919 1.16832 1.18883 1.20427 1.23507 1.23546 1.24776 1.25520 1.27294 1.30354 1.31089 1.32038 1.33322 1.36196 1.37054 1.37218 1.39235 1.39369 1.40263 1.42318 1.43331 1.44002 1.44586 1.44776 1.46538 1.47047 1.47593 1.49624 1.52500 1.54172 1.57078 1.57475 1.58139 1.60381 1.61497 1.61618 1.62803 1.63648 1.64587 1.65211 1.66052 1.68508 1.70606 1.70964 1.71046 1.75637 1.76203 1.77792 1.78471 1.78574 1.79742 1.80067 1.80915 1.81961 1.83252 1.83973 1.84311 1.84752 1.85125 1.85625 1.86253 1.87100 1.87167 1.88070 1.88673 1.88958 1.90028 1.90429 1.91449 1.92495 1.93099 1.93880 1.94839 1.95350 1.96072 1.97152 1.97829 1.98532 1.98930 1.99209 1.99783 2.01461 2.02562 2.04172 2.04511 2.05711 2.06970 2.08891 2.09600 2.10015 2.11690 2.11788 2.13742 2.15028 2.17151 2.17807 2.20640 2.22733 2.25393 2.26398 2.27657 2.28398 2.29857 2.30989 2.31711 2.32276 2.33189 2.34661 2.35230 2.35821 2.36787 2.38533 2.40481 2.41887 2.42115 2.43096 2.43236 2.44355 2.46479 2.47368 2.48309 2.50651 2.51202 2.53783 2.55292 2.58055 2.61390 2.62769 2.63148 2.66143 2.69680 2.70321 2.70497 2.72207 2.72318 2.74640 2.75126 2.75389 2.76190 2.78583 2.79903 2.81255 2.83053 2.85882 2.87018 2.88086 2.88715 2.89681 2.90650 2.91615 2.93236 2.94032 2.94860 2.95704 2.97371 3.00444 3.01361 3.02454 3.02968 3.06575 3.07920 3.09636 3.11537 3.14021 3.14860 3.15395 3.16251 3.20276 3.22448 3.24522 3.26607 3.33630 3.39748 3.41616 3.46663 3.48213 3.52754 3.58243 3.62535 3.64329 3.67455 3.85953 -19.27920 -19.27633 -19.27273 -14.52392 -14.50478 -14.47008 -10.37528 -10.36015 -10.35902 -10.35299 -10.35128 -10.34770 -10.34621 -10.34475 -10.34360 -10.34357 -10.33577 -10.33148 -10.29133 -10.29095 -6.80510 -1.18309 -1.16812 -1.15173 -1.13654 -1.06099 -0.96615 -0.93759 -0.90859 -0.85346 -0.83899 -0.83547 -0.80410 -0.77821 -0.77066 -0.74479 -0.72115 -0.70136 -0.67995 -0.67574 -0.63456 -0.61684 -0.60927 -0.60458 -0.59869 -0.57210 -0.56880 -0.56465 -0.55475 -0.55042 -0.54565 -0.54001 -0.53197 -0.52925 -0.52373 -0.51966 -0.50390 -0.49607 -0.47650 -0.47381 -0.47039 -0.46867 -0.45086 -0.43932 -0.42765 -0.42478 -0.41349 -0.40288 -0.39875 -0.38326 -0.37517 -0.37123 -0.35263 -0.34374 -0.29984 -0.28881 0.00186 0.06847 0.07235 0.09983 0.12015 0.13534 0.14741 0.16378 0.16713 0.16833 0.17412 0.17943 0.18962 0.19099 0.19715 0.20711 0.21032 0.21307 0.21633 0.21826 0.22372 0.22511 0.23178 0.23456 0.24180 0.24575 0.25653 0.25659 0.26219 0.27452 0.28706 0.28812 0.29652 0.31193 0.32070 0.32688 0.34212 0.36231 0.37337 0.38147 0.39230 0.39303 0.39489 0.40178 0.40693 0.43389 0.44225 0.45366 0.46302 0.47755 0.49221 0.49964 0.51612 0.52086 0.52503 0.53594 0.54208 0.54241 0.54653 0.55090 0.55439 0.56634 0.57235 0.57686 0.58879 0.60045 0.60268 0.60869 0.62159 0.63606 0.64322 0.65312 0.65907 0.66737 0.67624 0.69074 0.69692 0.69905 0.70830 0.71137 0.71742 0.72102 0.72790 0.73004 0.73167 0.73436 0.73842 0.74176 0.74506 0.75069 0.75152 0.75305 0.75820 0.75902 0.76239 0.76607 0.76796 0.77050 0.77751 0.78539 0.78840 0.80273 0.80993 0.81583 0.82450 0.83004 0.84572 0.85783 0.86425 0.88165 0.88810 0.89355 0.90254 0.91910 0.94081 0.95050 0.95759 0.96268 0.98875 1.01155 1.02246 1.02803 1.04781 1.06583 1.07656 1.08376 1.10517 1.12555 1.12709 1.13505 1.14978 1.16305 1.16997 1.19265 1.20798 1.23665 1.24048 1.24921 1.25814 1.27463 1.30448 1.31222 1.32130 1.33590 1.36408 1.37187 1.37381 1.39315 1.39401 1.40570 1.42457 1.43439 1.44023 1.44614 1.45041 1.46744 1.47492 1.48963 1.49725 1.52696 1.54406 1.57360 1.57535 1.58504 1.60395 1.61529 1.61943 1.62874 1.63756 1.64670 1.65329 1.66119 1.68655 1.70635 1.71151 1.71293 1.75667 1.76650 1.77991 1.78520 1.78596 1.79763 1.80156 1.81002 1.81988 1.83330 1.84008 1.84383 1.84798 1.85165 1.85708 1.86337 1.87156 1.87280 1.88322 1.88870 1.88986 1.90081 1.90460 1.91496 1.92514 1.93190 1.94107 1.94983 1.95507 1.96163 1.97320 1.98029 1.98913 1.99161 1.99370 2.00138 2.01705 2.02618 2.04417 2.04546 2.05777 2.07069 2.08983 2.09762 2.10136 2.11860 2.12038 2.13859 2.15421 2.17343 2.17862 2.20827 2.22925 2.25468 2.26421 2.27711 2.28411 2.29891 2.31020 2.31873 2.32436 2.33437 2.34852 2.35457 2.35887 2.36891 2.38617 2.40566 2.41977 2.42128 2.43172 2.43425 2.44520 2.46712 2.47391 2.48379 2.50691 2.51362 2.54100 2.55371 2.58392 2.61543 2.62971 2.63559 2.66400 2.69809 2.70454 2.70649 2.72400 2.72509 2.74647 2.75254 2.75397 2.76217 2.78922 2.80058 2.81803 2.83254 2.86187 2.87368 2.88143 2.88815 2.90169 2.90690 2.91649 2.93296 2.94168 2.95191 2.95845 2.97411 3.00496 3.01404 3.02514 3.03171 3.06613 3.08125 3.09742 3.11734 3.14169 3.14944 3.15476 3.16392 3.20298 3.22574 3.24644 3.26778 3.33757 3.39871 3.41650 3.46804 3.48241 3.52914 3.58286 3.62623 3.64333 3.67593 3.85979 2-A. -7.72897029e-01 9.73153235e-01 -7.54364678e-01 2.81414041e+02 4.98497811e+00 2.04927177e+02 -5.73373395e+00 -1.57249387e+01 1.32664155e+02 -2.0637 -0.0008 0.0004 0.0007 2.9560 5.6757 28.1806 37.6877 48.8372 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 28.1770 37.6779 48.7999 71.3242 93.5876 108.3072 129.3112 130.3223 141.6624 156.2944 166.5888 188.4298 196.3181 224.8982 233.5376 247.7555 253.1512 277.2031 291.9560 305.1917 324.0827 336.7314 369.0562 385.4472 440.9804 490.5719 510.1989 534.2323 566.5156 605.6091 611.9718 638.8137 661.9733 665.8499 679.3009 708.4125 723.0383 767.9619 795.1595 798.7270 807.1809 857.8616 872.1755 901.1658 907.7692 910.6398 927.8069 978.6760 1001.7507 1028.4896 1081.1423 1089.8344 1098.6942 1112.8068 1135.8414 1161.7573 1178.8537 1180.4900 1188.5939 1190.6466 1192.4791 1203.2358 1210.5359 1219.0663 1229.9837 1233.5914 1235.4739 1259.9023 1295.3965 1304.5540 1314.4144 1337.5630 1350.4264 1362.7422 1409.3753 1456.5107 1460.1480 1461.0134 1466.5445 1469.6262 1475.8497 1477.5876 1481.5052 1489.4224 1492.6276 1495.7630 1498.3392 1506.2962 1511.0614 1528.4472 1532.4186 1570.4166 1675.4890 1704.3365 1717.3957 2560.8987 2665.5623 3030.0011 3031.0154 3036.6320 3067.8614 3086.1897 3098.0916 3122.9367 3131.4627 3139.9785 3143.6029 3161.1220 3169.8839 3172.3126 3175.1135 3177.3062 3263.7813 3266.4881 3.7360 3.9182 3.2066 4.3184 3.4090 3.0668 1.2024 1.9284 2.3868 2.6854 1.2830 2.6395 2.6195 2.5988 3.3865 2.0327 2.6892 3.7410 3.7194 4.3257 4.3055 3.7682 3.9051 4.7607 1.2873 5.2169 4.9791 5.6552 4.0683 2.7816 5.5110 4.4963 4.5455 4.2031 3.6850 3.4870 3.0004 3.1577 5.1175 4.0097 1.4893 2.1391 2.8986 1.5786 1.5035 1.4678 2.3956 3.3827 5.4968 1.8981 3.4058 1.8029 2.9920 2.9980 3.9738 2.5692 1.6067 1.4369 1.2817 1.2716 1.5874 1.6318 1.4421 1.4369 1.4461 1.1948 1.4677 2.3394 3.8444 1.9111 1.7500 2.9512 1.7022 3.8346 5.6252 1.6237 1.2667 1.1270 1.0728 1.1797 1.0514 1.2782 1.2282 4.3756 1.0861 1.1229 1.4907 1.0682 1.7748 3.1179 3.1537 5.4336 8.7525 7.8355 11.7645 1.0646 1.1232 1.0344 1.0369 1.0365 1.0662 1.0676 1.0660 1.1057 1.1010 1.1006 1.1040 1.1032 1.1056 1.1081 1.1053 1.1071 1.0940 1.0934 0.0017 0.0033 0.0045 0.0129 0.0176 0.0212 0.0118 0.0193 0.0282 0.0387 0.0210 0.0552 0.0595 0.0774 0.1088 0.0735 0.1015 0.1694 0.1868 0.2374 0.2664 0.2517 0.3134 0.4167 0.1475 0.7397 0.7636 0.9510 0.7693 0.6011 1.2160 1.0811 1.1736 1.0979 1.0019 1.0310 0.9242 1.0972 1.9064 1.5071 0.5717 0.9275 1.2991 0.7553 0.7300 0.7172 1.2150 1.9090 3.2500 1.1829 2.3455 1.2617 2.1279 2.1874 3.0206 2.0431 1.3155 1.1797 1.0669 1.0621 1.3299 1.3919 1.2451 1.2581 1.2890 1.0713 1.3199 2.1879 3.8009 1.9163 1.7814 3.1109 1.8289 4.1956 6.5833 2.0295 1.5911 1.4174 1.3594 1.5012 1.3493 1.6441 1.5882 5.7190 1.4257 1.4802 1.9718 1.4280 2.3876 4.2915 4.3634 7.8952 14.4766 13.4100 20.4439 4.1135 4.7021 5.5956 5.6124 5.6313 5.9125 5.9909 6.0283 6.3537 6.3613 6.3936 6.4277 6.4949 6.5453 6.5705 6.5651 6.5852 6.8660 6.8737 1.3741 3.6596 2.9057 1.7146 0.6151 5.1813 0.0617 0.0205 1.5551 0.8150 0.4865 3.5709 0.5318 1.9727 2.6969 0.6446 2.4965 4.3225 6.1931 1.8566 11.2311 1.1705 1.1756 0.4043 0.3142 5.4258 2.5501 0.7014 6.0468 0.3598 0.8625 0.8170 2.4920 3.4179 5.3199 7.4317 25.6922 3.8749 4.3957 43.0287 0.9386 3.7439 4.0102 23.5139 1.4315 0.0613 0.7032 22.9308 36.1738 2.1716 49.2376 6.1107 14.0681 127.8307 24.0740 117.0159 1.1991 9.7924 6.3769 8.0035 3.5769 22.8272 4.7295 5.6594 10.2657 5.6294 0.7933 140.4980 134.3796 26.5689 36.0375 35.4057 11.4715 29.8456 117.3822 122.5974 11.2147 15.0644 9.5023 5.5254 7.8470 42.1930 4.4210 99.6065 28.0013 4.1498 42.0426 17.9113 37.9891 75.3875 16.8476 458.1010 132.8598 113.1460 125.8709 124.4242 120.5354 64.6096 32.4067 105.0879 31.6796 8.6461 18.7550 19.7437 23.4424 32.9575 9.0858 5.9671 10.1594 15.0356 19.7339 14.6340 1.5249 1.0808 0.01 0.07 0.10 -0.00 -0.05 -0.08 -0.01 -0.11 -0.15 -0.00 -0.03 -0.07 0.01 0.02 0.08 -0.02 -0.09 -0.28 -0.00 -0.23 -0.14 0.00 -0.09 -0.05 0.02 -0.06 0.17 0.01 0.02 0.04 -0.00 -0.05 -0.11 0.00 0.01 -0.00 -0.01 0.07 -0.13 0.01 0.14 0.12 0.00 0.01 0.00 -0.01 0.01 -0.03 0.00 0.01 0.03 -0.01 -0.00 -0.04 0.01 0.00 0.04 -0.00 -0.00 0.00 0.05 0.16 0.24 0.07 0.17 0.32 0.07 0.24 0.25 0.01 0.01 0.06 -0.02 0.01 -0.05 -0.00 -0.02 0.01 -0.01 0.00 -0.08 0.01 -0.01 0.08 0.01 -0.06 0.10 0.01 -0.05 0.14 0.00 -0.08 0.10 0.00 -0.07 0.08 0.01 0.02 0.04 0.02 0.03 0.09 0.01 -0.00 0.04 0.00 0.07 0.01 -0.05 0.02 -0.18 -0.01 -0.03 -0.22 -0.07 0.02 -0.25 -0.12 0.07 -0.16 0.01 -0.00 -0.04 -0.01 -0.01 -0.04 -0.03 0.01 0.05 0.02 0.09 0.18 -0.00 0.08 0.16 0.03 0.02 -0.01 -0.14 -0.04 0.07 -0.04 0.12 0.29 -0.10 0.06 0.21 -0.00 0.01 0.02 -0.01 -0.05 -0.13 -0.00 -0.04 -0.14 0.14 0.14 0.18 0.08 0.12 0.19 -0.00 -0.03 -0.13 0.01 -0.03 -0.13 -0.01 -0.03 -0.10 0.01 -0.02 -0.07 -0.02 -0.02 -0.04 -0.00 -0.01 -0.02 0.04 0.02 -0.01 0.04 0.06 0.09 0.05 0.01 -0.07 -0.02 -0.03 -0.10 0.02 -0.03 -0.16 -0.01 0.01 0.07 0.01 -0.02 -0.06 -0.03 -0.01 0.01 -0.12 -0.02 0.06 -0.12 -0.02 0.10 -0.18 -0.03 0.00 -0.14 -0.02 0.11 0.05 0.03 0.11 0.04 0.02 0.10 0.04 0.05 0.18 0.12 0.03 0.09 0.11 0.01 0.14 0.00 0.02 0.28 0.15 0.01 0.15 0.26 0.01 0.15 -0.00 0.02 0.03 -0.01 0.00 -0.00 -0.01 -0.02 -0.04 -0.02 -0.04 -0.06 0.00 -0.02 -0.02 -0.03 -0.02 -0.04 0.03 -0.03 -0.04 0.01 -0.06 -0.09 0.04 -0.03 -0.02 -0.00 0.01 0.01 -0.01 0.02 0.02 -0.01 0.03 0.03 -0.06 -0.03 -0.07 -0.02 -0.01 -0.03 -0.01 0.02 0.02 -0.01 0.02 -0.04 -0.00 0.02 0.07 -0.01 0.00 -0.06 -0.00 0.00 0.04 -0.01 -0.00 -0.04 0.01 0.04 0.05 0.02 0.02 0.05 0.02 0.07 0.06 0.01 0.02 0.12 -0.03 0.03 -0.06 -0.00 0.02 -0.11 -0.06 -0.02 -0.12 0.01 -0.01 0.08 0.07 -0.08 0.07 0.06 -0.07 0.10 0.10 -0.12 0.10 0.08 -0.09 -0.00 -0.08 0.02 -0.16 -0.09 0.02 -0.14 -0.06 0.02 -0.24 -0.15 0.02 -0.14 0.12 -0.01 0.24 -0.06 0.02 0.47 0.16 -0.01 0.29 0.39 -0.04 0.24 -0.05 -0.05 -0.01 0.05 -0.03 -0.06 0.09 0.05 -0.07 0.06 0.18 0.02 -0.04 0.13 0.03 0.18 0.06 -0.14 0.04 -0.02 -0.05 0.01 0.25 0.08 -0.14 0.13 0.06 -0.02 0.01 -0.02 0.06 -0.10 -0.06 0.01 -0.11 -0.02 0.16 0.24 0.01 -0.04 0.18 0.05 0.01 -0.10 0.06 0.04 -0.08 0.09 -0.04 -0.08 0.07 0.05 -0.02 0.07 -0.04 -0.02 0.06 0.00 0.01 0.02 -0.10 -0.06 -0.00 -0.13 -0.01 0.01 -0.12 -0.11 -0.02 -0.07 -0.10 0.07 0.08 -0.10 0.11 0.01 0.06 -0.09 0.11 0.01 0.08 -0.09 0.01 0.06 -0.01 -0.01 0.02 -0.10 0.03 0.03 0.05 -0.11 0.09 0.07 0.03 -0.08 -0.13 0.10 -0.16 -0.18 0.09 -0.12 -0.11 0.13 -0.27 -0.22 0.10 -0.14 0.06 0.05 -0.05 0.10 0.11 -0.15 0.10 0.05 -0.02 -0.07 0.02 -0.07 0.03 -0.01 -0.08 -0.04 -0.03 -0.07 -0.07 -0.05 0.01 0.00 -0.02 0.13 0.02 -0.04 0.04 -0.06 -0.05 -0.04 -0.16 -0.11 0.03 -0.06 0.00 0.24 -0.05 -0.02 0.05 0.01 -0.04 -0.07 -0.04 0.00 -0.09 -0.01 0.02 -0.10 0.13 -0.01 0.15 0.11 -0.05 0.06 -0.01 0.05 -0.05 -0.01 0.05 -0.02 -0.00 0.05 -0.00 -0.02 0.04 0.05 0.00 0.04 0.06 -0.01 0.03 0.06 0.06 0.00 -0.07 0.07 -0.02 -0.08 0.06 0.02 -0.06 0.00 0.05 -0.00 -0.02 0.05 -0.05 -0.01 0.00 0.02 -0.02 0.03 0.11 -0.00 0.04 0.08 0.25 -0.06 -0.01 0.13 -0.01 0.00 0.43 -0.23 0.17 0.39 -0.02 -0.26 -0.06 -0.03 -0.03 -0.02 -0.02 -0.02 -0.05 -0.07 -0.10 -0.14 -0.03 -0.01 -0.08 -0.02 0.01 -0.02 -0.01 -0.07 -0.12 -0.03 0.05 -0.16 -0.06 -0.01 -0.04 -0.02 0.03 -0.01 -0.01 0.01 0.01 0.01 -0.02 -0.02 0.03 -0.04 -0.04 0.03 0.01 0.02 0.01 -0.03 0.04 0.00 -0.02 -0.00 0.02 -0.07 -0.04 0.02 0.02 -0.03 0.01 0.03 -0.00 -0.03 0.02 -0.02 -0.03 0.03 -0.05 0.05 -0.06 -0.07 0.06 0.01 -0.02 -0.04 0.03 -0.01 -0.03 -0.02 -0.03 -0.04 0.05 -0.01 -0.02 -0.03 -0.03 -0.01 0.03 -0.02 -0.01 0.03 -0.06 -0.03 0.02 -0.06 -0.01 0.03 -0.05 -0.05 -0.01 -0.03 -0.04 0.06 -0.00 -0.04 -0.05 -0.02 -0.01 0.07 0.00 -0.01 -0.14 -0.06 0.01 -0.04 0.21 0.04 -0.17 0.07 0.09 -0.27 0.39 -0.06 0.02 0.36 0.12 -0.36 0.05 0.06 0.15 0.08 0.08 0.21 0.04 0.02 0.20 0.08 0.14 0.09 0.08 0.07 -0.00 0.00 0.00 0.15 0.10 0.08 -0.11 0.21 0.17 0.06 -0.00 -0.01 -0.00 0.00 -0.01 -0.02 0.00 -0.02 -0.02 0.02 0.02 0.04 -0.00 -0.00 -0.02 0.02 -0.01 -0.06 -0.03 -0.06 -0.01 -0.02 0.06 0.09 -0.04 0.02 -0.04 -0.00 -0.02 -0.03 0.00 -0.00 0.01 -0.00 0.00 0.02 0.10 0.03 0.05 0.01 -0.03 -0.02 -0.00 0.00 0.03 -0.00 0.01 -0.01 -0.00 0.00 0.05 -0.00 0.00 -0.01 -0.00 0.00 0.03 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 -0.02 0.00 0.03 0.03 -0.00 0.01 0.07 -0.00 0.01 -0.03 -0.00 0.03 0.02 -0.02 -0.01 -0.04 0.00 -0.00 0.01 0.01 0.04 -0.01 0.10 -0.01 -0.07 0.00 0.16 -0.02 -0.05 -0.00 0.05 0.00 -0.04 -0.01 -0.37 -0.18 -0.36 -0.01 0.44 0.22 0.41 -0.39 0.10 -0.01 -0.01 -0.01 -0.02 0.06 -0.03 0.03 -0.02 0.07 -0.02 -0.08 -0.05 0.00 -0.02 -0.02 0.01 -0.04 -0.06 -0.00 -0.04 -0.03 0.06 0.06 0.11 -0.00 -0.02 -0.07 0.04 -0.02 -0.14 -0.09 -0.14 -0.01 -0.07 0.19 0.29 -0.09 0.07 -0.15 0.01 -0.06 -0.10 0.00 0.01 0.02 -0.00 0.02 0.04 0.31 0.05 0.18 0.04 -0.12 -0.09 -0.00 0.02 0.06 -0.01 0.01 0.03 0.01 0.01 0.06 -0.01 -0.00 0.00 0.01 0.00 0.03 -0.00 -0.01 0.02 0.01 0.02 0.03 0.02 -0.04 -0.03 0.01 0.10 0.13 0.01 0.02 0.06 -0.02 0.02 0.01 -0.00 -0.02 0.00 -0.04 -0.01 -0.07 0.03 -0.01 -0.03 -0.04 0.08 -0.02 0.09 0.01 -0.11 -0.09 0.27 -0.09 -0.15 0.02 0.12 -0.00 -0.02 0.00 0.24 0.07 0.20 0.00 -0.33 -0.15 -0.27 0.18 -0.06 0.00 0.01 -0.00 -0.03 -0.06 0.08 -0.02 0.02 -0.07 0.08 0.08 0.04 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.08 0.09 0.01 0.01 0.05 -0.01 -0.06 -0.16 0.04 0.06 0.22 -0.05 0.20 0.08 -0.03 0.12 0.08 0.00 0.07 -0.32 -0.01 -0.04 -0.07 0.00 0.01 0.02 -0.00 -0.02 -0.01 0.10 -0.10 0.13 -0.04 -0.24 -0.23 -0.00 -0.03 -0.03 0.00 -0.03 0.00 -0.01 -0.03 -0.06 0.00 -0.01 -0.00 -0.01 -0.01 -0.04 -0.00 -0.01 -0.03 0.02 0.12 0.18 0.04 0.10 0.22 0.03 0.25 0.27 -0.02 -0.03 -0.06 0.01 -0.03 0.04 -0.00 0.00 -0.02 0.03 -0.00 0.04 -0.04 -0.00 -0.00 0.00 -0.08 -0.00 -0.19 0.02 0.10 0.06 -0.33 0.07 0.16 0.02 -0.16 0.01 0.07 0.03 -0.09 0.04 0.00 0.00 0.18 0.10 0.13 0.03 0.01 0.01 0.00 0.01 0.03 0.01 -0.01 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.00 0.03 -0.01 -0.02 -0.01 -0.01 -0.09 -0.10 0.02 0.04 0.05 -0.02 0.01 0.02 -0.03 -0.06 -0.30 -0.01 -0.30 -0.07 -0.06 0.09 0.17 -0.05 0.03 0.01 -0.01 -0.01 0.00 -0.01 0.02 0.05 -0.01 0.04 0.09 0.19 0.10 0.05 -0.01 0.01 0.02 -0.01 0.03 0.04 -0.01 0.03 0.08 0.01 0.03 -0.06 -0.01 0.01 -0.00 0.02 0.01 -0.10 0.01 0.00 -0.10 -0.05 -0.07 -0.07 -0.07 -0.09 -0.18 -0.08 -0.11 -0.04 0.03 0.03 -0.06 -0.02 0.03 0.17 0.01 -0.02 -0.08 -0.03 0.01 0.04 0.03 -0.00 -0.03 -0.00 -0.13 0.02 -0.08 -0.08 0.18 -0.01 -0.32 0.02 0.06 -0.11 -0.07 0.10 0.14 0.06 -0.01 0.11 0.09 0.07 0.25 0.21 0.30 0.16 -0.01 -0.03 -0.01 0.03 -0.02 -0.11 0.08 -0.09 -0.00 -0.07 0.02 0.08 0.08 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.02 0.03 -0.02 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.08 -0.02 0.08 0.02 0.00 -0.02 -0.04 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.06 -0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.02 0.03 0.04 -0.01 0.02 0.02 -0.01 -0.01 -0.02 0.00 -0.01 0.02 -0.00 -0.00 -0.03 0.02 0.00 0.03 0.02 -0.02 0.00 0.06 -0.05 -0.01 0.55 -0.29 -0.16 0.01 0.47 -0.09 -0.31 -0.36 0.20 -0.00 0.09 0.02 -0.04 0.09 0.07 -0.01 0.11 0.04 0.03 0.13 -0.02 0.01 0.02 0.01 0.02 -0.02 0.01 -0.01 0.02 -0.04 -0.00 0.06 0.03 0.03 -0.01 -0.05 0.02 -0.01 -0.04 0.02 0.04 0.04 0.01 -0.03 -0.03 0.04 0.01 0.08 0.05 0.02 0.17 0.00 0.17 0.02 0.07 -0.10 -0.12 -0.04 -0.08 0.23 0.03 -0.04 -0.08 0.02 0.01 -0.01 0.02 0.01 -0.02 -0.13 -0.02 -0.07 0.13 0.16 0.15 0.01 0.01 0.02 -0.01 0.00 0.01 0.02 -0.01 0.06 -0.01 -0.03 0.01 0.02 -0.03 0.04 0.02 -0.03 0.02 0.05 0.02 -0.01 0.07 -0.02 -0.04 0.05 0.09 0.06 0.04 0.00 0.06 -0.02 0.01 -0.03 0.02 -0.04 -0.05 -0.09 -0.06 -0.00 -0.01 -0.01 -0.01 -0.04 0.11 -0.03 -0.19 0.18 -0.06 -0.03 0.01 -0.01 0.08 0.23 -0.03 -0.05 0.19 0.02 -0.21 0.16 0.13 -0.04 0.34 0.03 0.05 0.25 -0.04 -0.09 -0.14 0.02 -0.08 -0.31 0.10 -0.21 -0.13 -0.11 0.02 -0.01 0.08 0.02 0.04 0.06 0.01 0.05 0.07 0.00 -0.05 -0.05 0.04 0.01 0.04 0.02 -0.03 -0.13 -0.07 -0.03 -0.23 0.05 -0.24 -0.02 -0.05 0.10 0.16 0.20 0.13 -0.39 0.01 0.11 0.19 0.01 -0.01 -0.05 0.01 -0.01 -0.03 0.22 -0.02 0.10 -0.16 -0.29 -0.25 0.01 -0.02 -0.05 0.00 -0.02 -0.08 0.00 -0.02 0.01 -0.00 -0.02 -0.01 -0.00 -0.02 0.03 -0.00 -0.02 0.03 0.05 -0.02 -0.03 0.04 0.06 0.09 0.06 -0.14 -0.22 -0.00 -0.02 0.02 0.00 -0.01 -0.13 -0.00 -0.01 0.00 -0.02 -0.03 0.03 -0.03 -0.00 0.01 0.00 0.06 -0.02 0.03 0.04 -0.09 0.02 0.14 -0.01 -0.01 0.06 0.01 -0.07 0.10 0.01 -0.13 0.09 0.08 -0.05 0.14 -0.03 -0.08 0.14 -0.01 -0.04 -0.09 0.01 -0.02 -0.11 -0.01 -0.08 -0.09 0.03 -0.04 -0.10 0.00 0.02 0.04 -0.01 -0.00 0.03 -0.01 -0.03 -0.01 0.02 0.00 -0.05 0.03 0.04 -0.03 -0.01 -0.07 -0.01 0.03 -0.05 -0.01 0.02 -0.01 -0.06 0.05 0.10 -0.01 -0.04 0.02 0.05 0.03 0.00 0.01 -0.06 0.01 0.03 -0.05 0.01 -0.07 0.04 0.04 -0.08 -0.02 0.01 0.02 0.01 -0.02 -0.00 0.16 0.03 0.01 -0.10 -0.01 -0.03 0.10 0.02 -0.03 0.00 0.00 -0.04 0.10 -0.03 0.02 -0.03 -0.08 0.09 -0.03 -0.07 -0.08 -0.04 0.05 0.02 -0.22 -0.03 0.01 0.19 0.00 -0.02 0.04 -0.02 -0.04 -0.08 0.06 -0.05 -0.03 -0.01 -0.02 -0.00 -0.10 0.02 0.03 -0.05 -0.10 -0.03 0.04 0.04 0.02 -0.12 0.00 -0.03 -0.29 -0.06 -0.10 -0.10 0.19 -0.06 -0.06 -0.10 0.02 0.04 0.13 -0.03 -0.01 -0.12 0.19 0.01 0.17 -0.41 0.17 0.47 0.14 -0.06 0.01 0.01 -0.06 -0.02 -0.04 -0.09 0.02 0.05 -0.08 -0.03 0.03 -0.05 -0.03 -0.04 -0.07 0.01 0.16 -0.15 0.13 0.05 -0.08 -0.02 0.03 0.01 0.02 -0.12 -0.06 0.03 0.05 -0.05 -0.07 -0.13 -0.03 -0.04 -0.07 -0.08 -0.08 0.06 -0.09 -0.13 -0.08 -0.00 0.01 0.04 0.04 0.03 0.04 0.03 0.00 0.11 0.04 0.03 0.00 0.05 0.01 0.05 0.07 0.02 -0.05 -0.15 0.00 0.01 -0.21 0.15 0.09 -0.18 -0.16 -0.08 0.05 0.01 0.15 0.05 0.01 0.04 0.08 -0.04 -0.10 0.03 0.03 0.02 0.05 0.02 0.04 0.00 0.10 0.04 -0.09 0.14 0.02 -0.01 0.04 0.03 0.07 0.17 0.06 0.17 -0.04 -0.04 0.20 -0.04 -0.06 0.15 -0.05 0.05 0.26 -0.03 -0.07 0.01 -0.04 0.01 0.05 -0.33 0.12 -0.17 -0.03 -0.24 0.14 0.17 0.12 -0.03 0.04 -0.03 -0.05 0.04 -0.01 -0.09 -0.03 -0.02 -0.06 -0.03 0.03 -0.02 -0.01 0.01 -0.14 -0.02 -0.08 -0.10 -0.10 -0.01 -0.07 -0.05 0.06 -0.02 -0.02 0.03 -0.03 0.02 -0.04 -0.04 0.06 0.02 -0.02 0.04 -0.00 -0.04 -0.02 0.03 0.03 -0.00 0.03 0.00 -0.01 0.00 0.01 -0.02 -0.00 0.04 -0.03 0.02 0.03 -0.05 0.01 0.04 -0.05 0.02 0.04 -0.05 0.03 -0.07 0.05 -0.01 -0.09 0.06 -0.05 -0.09 0.03 0.03 0.07 -0.01 0.02 0.01 -0.01 -0.01 0.04 0.00 0.01 0.05 -0.04 -0.00 0.08 -0.07 -0.02 0.00 0.03 -0.01 -0.10 0.07 -0.03 -0.03 -0.03 -0.03 0.07 0.12 0.04 -0.01 0.08 0.01 -0.02 0.09 0.09 -0.00 0.07 -0.05 -0.05 0.13 -0.01 0.06 0.01 -0.02 0.03 0.46 -0.25 0.30 -0.02 0.41 -0.16 -0.37 -0.21 -0.02 0.02 -0.04 -0.03 0.05 0.04 -0.05 -0.03 -0.05 -0.04 0.01 -0.00 -0.03 0.02 0.02 -0.11 -0.01 -0.20 -0.00 -0.19 -0.04 -0.05 -0.00 0.03 -0.06 -0.01 0.06 -0.03 0.00 -0.04 -0.03 0.10 0.10 -0.02 0.04 0.01 -0.00 0.05 -0.02 0.01 0.06 0.04 -0.01 -0.03 -0.03 -0.00 -0.05 -0.13 0.00 -0.05 0.07 0.01 -0.03 -0.01 0.00 -0.04 0.03 -0.00 -0.03 -0.01 0.08 0.05 -0.02 0.15 -0.08 -0.04 0.13 0.21 0.02 0.01 -0.05 0.14 0.00 -0.05 -0.18 -0.00 -0.08 -0.03 0.12 0.02 0.13 -0.02 -0.03 0.00 -0.02 0.03 -0.01 -0.04 0.03 -0.05 -0.01 0.03 -0.01 0.00 0.05 0.00 -0.02 -0.03 -0.02 -0.11 -0.06 -0.04 -0.02 0.07 0.01 0.06 -0.06 -0.02 0.07 0.06 -0.00 0.14 -0.30 0.13 -0.09 0.10 -0.43 0.13 0.43 0.18 0.03 0.04 0.02 0.02 -0.01 -0.06 0.02 0.04 0.03 0.03 -0.01 0.01 0.05 -0.00 -0.01 0.06 0.02 0.16 -0.04 0.17 0.02 0.04 -0.02 -0.01 0.10 0.02 -0.06 0.03 0.04 0.05 0.02 -0.04 -0.14 0.00 0.02 -0.02 -0.00 -0.04 0.02 0.02 -0.05 -0.04 -0.02 0.02 0.11 -0.06 -0.01 0.02 -0.04 0.01 0.22 -0.08 -0.02 0.02 -0.04 -0.02 0.01 -0.08 -0.03 -0.07 0.16 -0.01 -0.07 0.22 -0.10 -0.05 0.20 0.06 -0.14 -0.04 0.01 0.32 -0.09 0.01 -0.06 -0.08 -0.07 -0.08 -0.02 0.01 0.06 0.04 -0.07 -0.07 -0.04 -0.06 -0.04 -0.12 -0.01 0.02 -0.08 -0.16 -0.07 0.01 -0.01 -0.04 0.04 -0.00 0.04 0.07 0.01 0.07 0.01 -0.03 0.17 0.16 0.05 -0.03 -0.00 0.17 0.02 -0.04 0.42 -0.08 0.21 0.17 0.16 -0.17 0.05 -0.04 -0.05 -0.05 0.03 -0.07 -0.07 0.01 -0.01 0.04 -0.00 -0.09 0.11 -0.05 -0.18 0.05 -0.04 0.10 0.04 0.04 0.00 0.09 -0.01 -0.08 0.16 -0.09 -0.20 0.10 -0.09 -0.10 -0.06 0.05 -0.07 -0.08 -0.01 -0.05 -0.04 0.01 -0.10 0.12 -0.06 -0.28 0.03 -0.07 -0.01 0.03 0.00 0.03 0.05 0.01 0.03 0.02 -0.04 0.04 0.02 0.04 0.05 -0.01 -0.00 0.06 -0.00 0.06 0.23 -0.05 -0.02 0.40 -0.32 0.05 0.36 0.22 -0.09 0.06 0.04 -0.09 0.05 0.04 -0.02 0.07 0.08 0.05 -0.03 -0.01 -0.02 0.15 -0.06 -0.04 0.02 -0.02 0.01 -0.07 0.03 0.06 -0.05 -0.09 -0.05 0.06 0.05 0.07 -0.01 0.04 -0.03 -0.02 0.03 -0.05 0.01 0.05 -0.10 -0.07 0.00 0.01 -0.02 -0.00 -0.01 -0.03 -0.04 0.03 -0.03 0.00 -0.06 -0.00 0.04 0.02 -0.00 -0.04 0.06 0.03 -0.07 -0.02 0.07 0.01 0.02 0.04 0.01 -0.00 0.01 -0.02 -0.00 0.14 -0.00 0.12 0.04 0.11 0.01 0.05 0.03 -0.02 -0.02 -0.02 0.01 0.01 -0.05 -0.00 0.02 -0.07 0.01 0.02 -0.02 0.06 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.05 -0.05 -0.03 0.04 -0.25 0.02 0.07 0.04 -0.04 0.01 -0.08 0.03 0.02 -0.03 -0.04 -0.00 -0.00 -0.20 -0.07 0.08 -0.32 0.13 0.07 -0.27 -0.30 0.03 0.02 0.07 0.12 -0.08 0.07 -0.33 -0.05 0.03 0.06 -0.01 0.04 0.10 0.22 -0.08 -0.06 0.03 0.00 0.01 -0.12 0.08 0.07 -0.07 -0.13 -0.09 0.11 0.12 0.09 -0.12 0.04 0.02 -0.17 0.02 0.00 -0.11 0.09 -0.03 -0.14 0.01 0.04 -0.04 0.07 0.02 -0.01 -0.02 0.04 -0.07 0.09 -0.13 -0.06 0.20 0.08 -0.01 0.05 -0.01 -0.00 0.04 -0.04 -0.05 -0.00 0.00 -0.01 -0.04 0.03 0.04 -0.01 0.01 -0.10 -0.00 0.01 -0.09 0.00 0.01 -0.02 -0.08 0.05 0.07 -0.02 0.01 0.01 0.05 -0.02 0.01 0.03 -0.04 0.00 0.03 0.00 -0.01 -0.06 0.03 0.09 -0.02 0.01 0.00 -0.02 0.09 0.06 0.01 -0.03 -0.03 -0.02 0.19 0.07 0.00 0.01 -0.04 -0.03 -0.02 0.03 0.03 0.04 -0.03 0.05 -0.03 -0.03 0.05 -0.04 -0.03 0.04 -0.05 -0.03 -0.02 0.26 0.08 -0.00 -0.13 0.03 0.26 0.13 0.02 -0.02 -0.01 -0.03 -0.05 -0.13 -0.06 -0.20 -0.09 -0.01 -0.21 0.06 -0.09 -0.27 -0.12 -0.11 -0.27 -0.13 0.01 0.02 -0.01 0.12 0.03 -0.14 0.02 -0.09 -0.10 -0.15 -0.08 0.09 -0.01 -0.14 -0.02 0.04 -0.38 0.07 -0.18 -0.13 -0.21 0.11 0.03 0.06 -0.02 0.11 0.16 -0.01 -0.07 -0.15 -0.04 0.05 0.03 -0.02 -0.01 0.02 -0.01 -0.01 -0.01 0.08 0.02 0.27 -0.19 0.29 0.02 -0.02 -0.01 0.02 0.01 0.01 -0.04 -0.01 0.02 0.00 -0.01 -0.05 -0.11 -0.01 0.11 0.18 -0.03 -0.04 0.04 0.00 -0.05 -0.03 0.01 0.02 0.03 0.01 -0.01 -0.02 0.02 0.01 -0.05 0.02 -0.00 -0.06 0.01 0.03 -0.04 -0.01 0.00 0.01 0.01 -0.03 -0.07 0.06 -0.31 -0.45 0.01 0.11 0.10 0.02 0.01 -0.06 -0.01 0.00 0.03 -0.02 -0.11 0.04 0.13 0.04 -0.00 -0.04 0.06 0.00 -0.01 0.00 0.00 0.05 -0.02 0.02 0.01 0.02 0.01 -0.04 -0.05 -0.03 -0.12 -0.01 0.04 -0.22 -0.03 0.09 -0.10 0.09 -0.03 -0.12 0.00 0.03 0.11 -0.11 -0.02 0.16 -0.18 -0.06 -0.02 -0.13 0.04 0.15 -0.18 -0.05 -0.01 0.08 0.11 0.01 -0.03 -0.08 -0.00 0.02 0.01 0.02 -0.02 0.01 0.03 -0.01 -0.00 0.05 0.00 0.13 -0.08 0.14 0.00 0.01 -0.02 0.02 0.04 -0.01 -0.01 0.01 0.02 -0.00 0.01 -0.01 -0.03 -0.01 0.07 0.12 0.02 -0.03 0.02 0.05 -0.02 -0.00 -0.01 -0.05 -0.07 -0.02 -0.05 -0.09 0.02 -0.09 -0.09 -0.01 -0.05 -0.00 0.01 -0.09 0.02 0.06 -0.05 -0.03 -0.02 -0.02 -0.03 0.00 -0.25 -0.40 -0.04 0.12 0.18 0.04 -0.08 -0.06 -0.00 -0.06 -0.04 0.07 0.16 -0.00 -0.11 -0.10 0.06 -0.09 -0.05 0.09 0.02 0.06 0.01 0.02 0.04 -0.15 0.10 0.17 0.08 0.05 0.09 0.02 0.12 0.01 -0.07 0.23 0.04 -0.14 0.11 -0.10 -0.07 0.05 -0.02 -0.03 -0.10 0.13 0.02 -0.15 0.18 0.06 0.07 0.16 -0.15 -0.20 0.29 0.10 -0.00 -0.01 0.02 -0.01 -0.03 -0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.03 -0.00 -0.00 0.04 -0.00 0.03 -0.01 0.03 0.00 -0.01 0.02 -0.01 -0.04 0.00 0.00 -0.01 -0.03 -0.00 -0.01 -0.01 0.01 0.00 0.01 0.02 -0.00 0.01 -0.00 -0.03 0.01 -0.00 0.01 0.03 -0.01 0.03 0.07 -0.13 0.08 -0.02 0.06 0.02 0.07 0.08 0.09 -0.01 -0.00 0.15 -0.00 0.17 -0.04 -0.02 0.02 -0.07 0.11 0.15 -0.04 -0.15 -0.13 0.16 0.02 0.09 0.07 0.06 -0.31 0.19 -0.19 0.01 -0.10 0.02 -0.02 -0.16 0.12 -0.08 -0.09 -0.12 -0.06 0.07 -0.18 0.10 -0.08 -0.14 -0.05 -0.21 -0.29 -0.18 -0.00 -0.00 -0.03 -0.20 -0.04 0.08 0.04 0.17 -0.17 -0.04 0.03 -0.04 -0.06 0.12 0.03 -0.12 0.27 0.00 0.07 0.12 0.12 -0.12 0.05 -0.01 -0.01 -0.02 -0.02 0.01 0.03 0.06 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.05 -0.00 -0.07 0.06 -0.09 0.01 0.01 -0.02 -0.01 0.04 0.01 -0.02 0.00 0.03 0.04 0.02 -0.02 -0.02 0.00 -0.05 -0.06 -0.02 -0.00 -0.00 -0.01 -0.03 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.00 0.02 0.01 0.01 0.02 0.01 0.00 0.02 0.02 -0.05 -0.00 0.01 -0.00 -0.37 -0.56 -0.08 0.41 0.57 -0.01 -0.01 0.02 0.02 -0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.02 -0.01 0.02 0.01 -0.02 -0.00 -0.01 -0.00 -0.00 -0.01 0.04 -0.02 -0.03 -0.02 -0.01 -0.02 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.01 -0.00 0.02 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.03 0.00 0.03 -0.00 -0.02 -0.00 0.05 0.03 0.07 -0.02 -0.06 0.01 0.08 0.01 -0.01 0.07 0.02 -0.03 0.01 -0.02 0.00 0.16 -0.00 0.07 0.09 0.08 -0.02 0.05 0.06 -0.01 -0.01 -0.02 0.01 0.02 -0.05 0.03 -0.06 0.03 0.02 -0.02 0.05 -0.02 0.11 0.03 -0.02 -0.04 0.01 0.00 -0.05 0.11 -0.11 -0.02 0.11 -0.06 -0.11 0.13 -0.06 0.00 -0.01 0.17 -0.13 -0.05 0.20 -0.05 -0.00 0.24 -0.02 -0.02 0.02 -0.10 -0.01 -0.20 -0.09 -0.11 0.12 -0.05 0.16 -0.23 -0.10 0.16 -0.22 -0.03 0.00 -0.15 0.08 0.01 -0.03 -0.04 -0.14 -0.01 -0.05 -0.05 -0.06 -0.09 -0.04 -0.12 -0.04 -0.05 -0.05 -0.01 -0.00 -0.03 0.14 0.02 -0.05 0.24 0.04 -0.07 0.09 -0.06 0.17 0.31 0.05 -0.11 0.09 -0.07 -0.04 0.12 -0.10 -0.05 0.01 -0.09 0.02 0.13 -0.13 -0.06 -0.10 0.02 0.04 0.04 0.07 -0.07 -0.04 0.03 -0.03 0.03 -0.06 0.02 0.09 -0.01 0.01 -0.12 0.02 0.01 -0.09 0.05 -0.02 0.01 -0.08 0.08 0.10 -0.05 0.05 0.00 0.08 -0.06 0.07 -0.00 0.03 -0.05 -0.05 0.07 0.07 -0.07 0.04 0.17 0.01 0.03 -0.07 -0.17 0.00 -0.03 -0.11 -0.01 -0.05 -0.16 -0.07 -0.04 0.17 -0.01 -0.04 -0.01 0.08 0.01 0.09 0.13 0.02 -0.01 -0.01 0.14 -0.08 0.24 0.14 0.07 -0.28 -0.13 -0.21 -0.24 0.17 -0.21 -0.03 0.03 -0.04 -0.04 -0.03 0.26 -0.06 0.11 -0.10 -0.02 0.01 -0.01 -0.00 -0.05 0.02 -0.01 -0.04 -0.03 -0.05 0.05 0.05 0.08 0.04 0.02 -0.02 0.02 0.01 0.00 0.03 0.03 0.01 0.08 0.03 -0.04 -0.08 0.01 0.04 -0.03 -0.08 0.02 -0.29 -0.03 0.21 0.07 -0.16 -0.04 -0.04 0.02 0.05 0.02 0.03 -0.04 -0.07 -0.00 -0.00 -0.06 -0.01 0.02 -0.00 0.02 -0.01 -0.12 0.00 -0.03 -0.12 -0.03 0.01 -0.05 -0.05 0.01 -0.01 0.02 -0.01 -0.01 0.03 -0.05 0.06 -0.02 0.03 0.03 -0.04 0.05 -0.09 -0.02 0.02 0.06 -0.00 -0.01 0.07 -0.10 -0.03 0.02 -0.14 -0.10 0.00 -0.01 -0.01 0.01 -0.10 0.23 0.01 0.19 -0.02 -0.11 0.05 0.15 -0.00 -0.01 -0.00 0.07 -0.09 0.08 0.07 0.04 -0.16 -0.19 -0.12 -0.03 0.00 -0.12 -0.38 -0.11 0.03 -0.11 -0.03 -0.19 -0.03 0.12 0.24 -0.09 0.03 0.02 0.07 0.11 0.01 0.34 -0.06 -0.12 -0.02 -0.05 -0.10 -0.00 0.05 0.01 -0.01 0.17 0.03 -0.06 0.01 -0.07 0.20 0.21 0.02 -0.06 0.02 -0.02 -0.02 -0.04 0.06 0.02 0.16 -0.00 -0.08 -0.02 0.05 0.01 -0.13 -0.12 -0.05 0.06 0.13 -0.03 -0.10 0.03 -0.01 -0.04 -0.05 0.04 0.08 0.04 -0.01 -0.27 0.04 -0.11 -0.13 -0.09 0.01 -0.02 -0.14 0.03 0.12 0.03 -0.01 0.00 0.11 -0.05 0.12 -0.09 -0.01 -0.01 -0.11 0.09 -0.10 -0.06 0.03 0.18 -0.00 -0.00 -0.01 0.11 0.12 0.06 0.16 -0.06 -0.06 0.15 -0.09 0.05 -0.03 -0.02 -0.05 -0.03 -0.00 0.01 -0.03 -0.01 -0.02 -0.09 0.05 0.19 -0.30 0.35 0.17 0.27 -0.08 0.04 0.20 -0.18 -0.03 0.21 -0.15 0.01 -0.03 -0.01 0.01 -0.07 0.04 -0.05 -0.06 0.04 -0.01 0.00 -0.01 -0.02 0.00 -0.10 0.04 0.05 0.03 0.02 0.04 0.00 0.00 -0.01 -0.00 -0.02 -0.01 0.02 0.00 0.01 -0.01 0.00 0.01 -0.01 0.03 0.01 -0.01 0.01 0.04 -0.01 0.10 0.02 -0.06 -0.04 0.06 0.01 -0.12 0.01 -0.04 -0.05 0.00 -0.01 0.08 0.06 -0.08 0.20 -0.07 -0.04 0.04 -0.12 0.05 0.07 0.02 0.22 0.12 0.32 -0.12 0.01 0.12 0.23 0.10 -0.26 0.20 -0.07 0.03 0.06 -0.07 -0.00 0.04 -0.09 -0.02 -0.03 0.55 -0.05 0.04 -0.00 0.08 0.12 -0.07 0.01 0.03 -0.02 0.02 -0.01 -0.02 0.00 0.00 0.00 -0.02 0.03 0.01 0.02 -0.06 0.02 -0.01 -0.01 -0.04 0.06 -0.05 0.09 -0.08 0.10 0.07 0.29 -0.12 -0.00 0.02 0.03 -0.01 0.02 -0.07 0.03 -0.01 0.02 0.01 -0.05 0.01 0.02 0.05 -0.00 0.02 0.02 0.03 0.03 0.02 0.06 0.01 0.01 0.02 0.01 0.00 0.02 0.00 0.00 -0.01 -0.03 -0.00 0.00 0.01 0.02 -0.05 -0.03 -0.00 0.00 0.03 -0.01 -0.01 0.02 0.01 -0.01 0.07 -0.00 -0.04 0.00 0.01 -0.00 -0.03 0.14 0.37 -0.01 0.04 -0.06 -0.07 0.05 -0.05 0.00 -0.01 -0.01 0.05 0.01 -0.03 -0.11 0.04 0.02 -0.11 0.11 -0.06 -0.05 -0.01 0.09 -0.02 -0.04 0.06 0.02 -0.02 -0.12 -0.01 0.08 0.13 -0.01 -0.15 -0.24 0.10 -0.01 0.02 0.13 0.09 0.01 0.00 0.01 -0.14 0.08 0.07 0.07 -0.04 0.04 0.07 0.06 0.02 0.02 -0.03 0.00 -0.03 0.02 0.01 -0.10 0.02 -0.13 0.09 0.09 -0.41 -0.19 0.06 -0.34 -0.24 -0.04 0.04 0.24 0.10 0.05 0.15 0.01 -0.04 0.03 -0.02 -0.03 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.02 0.01 -0.03 0.00 0.01 -0.00 0.01 0.02 0.01 -0.04 -0.02 0.03 -0.09 -0.03 0.05 -0.02 0.02 -0.04 -0.07 -0.01 0.03 -0.01 0.01 0.00 -0.03 0.03 0.01 0.03 0.02 -0.01 -0.03 0.03 0.01 -0.07 0.21 0.10 0.07 -0.00 0.11 0.13 -0.09 0.11 -0.02 -0.02 0.03 -0.12 -0.07 0.01 0.07 -0.06 -0.11 0.23 -0.30 0.12 0.04 0.10 -0.12 -0.19 -0.08 0.05 -0.08 -0.06 -0.10 0.08 -0.08 -0.02 0.04 -0.06 -0.03 -0.09 -0.05 0.02 -0.03 -0.04 0.04 0.04 -0.01 0.13 0.10 0.04 -0.04 -0.05 0.04 -0.05 0.07 0.02 -0.01 -0.05 0.00 -0.00 -0.00 0.02 -0.01 -0.04 0.25 -0.17 -0.01 0.17 -0.23 0.02 0.20 -0.43 -0.08 0.02 -0.20 0.13 0.03 -0.16 -0.02 -0.03 -0.01 -0.03 -0.02 0.01 -0.00 -0.05 0.02 0.00 0.00 -0.00 -0.02 0.01 -0.06 0.02 0.03 0.01 0.03 0.03 0.02 -0.02 -0.01 0.01 -0.03 -0.01 0.03 -0.02 -0.00 0.02 0.00 0.00 -0.00 -0.03 0.02 0.01 -0.05 0.04 0.02 0.01 0.03 -0.01 -0.05 0.04 0.02 0.01 -0.04 -0.12 0.02 -0.10 -0.14 -0.01 -0.04 -0.02 -0.04 -0.00 0.02 -0.02 0.02 0.02 0.13 -0.06 0.16 -0.17 0.16 -0.03 -0.03 -0.04 0.01 0.05 0.07 -0.07 -0.01 0.06 0.11 0.03 0.01 0.10 0.05 0.01 0.09 -0.05 0.03 -0.01 -0.09 -0.08 -0.03 0.05 -0.04 -0.18 0.17 0.05 0.01 -0.08 0.02 0.04 0.13 0.07 0.21 -0.09 0.00 -0.12 0.01 0.05 -0.10 -0.03 0.08 -0.06 -0.04 0.16 0.03 -0.02 0.22 0.09 -0.15 -0.03 0.53 0.29 -0.01 0.00 -0.03 -0.06 -0.01 -0.04 0.01 -0.06 0.00 -0.10 0.05 0.01 0.01 -0.00 -0.06 0.02 -0.15 0.04 0.08 0.03 0.06 0.09 0.06 -0.05 -0.03 0.04 -0.08 -0.03 0.08 -0.05 0.00 0.03 -0.04 -0.00 0.02 -0.04 0.01 0.01 -0.06 0.03 0.03 -0.03 0.01 0.04 -0.01 -0.01 -0.00 -0.02 -0.00 0.04 -0.01 0.11 0.17 0.04 0.02 0.05 0.03 0.01 -0.01 0.03 -0.01 -0.02 -0.12 0.06 -0.22 0.22 -0.27 0.07 0.08 0.01 -0.08 -0.05 -0.03 0.04 0.01 -0.06 -0.11 -0.02 -0.04 -0.16 -0.05 0.06 0.06 -0.04 -0.03 -0.00 0.10 0.05 0.02 -0.07 0.01 -0.05 -0.08 0.01 -0.01 0.01 -0.04 0.02 -0.04 0.02 0.27 0.02 -0.03 -0.23 0.01 -0.02 -0.05 0.00 -0.06 0.05 0.03 -0.10 0.05 0.02 -0.11 -0.07 0.06 -0.01 0.48 -0.07 0.02 -0.34 0.02 0.01 0.02 0.02 0.06 -0.06 -0.02 -0.04 0.06 0.02 0.03 0.03 -0.01 0.04 -0.10 0.06 0.11 0.07 0.06 0.09 0.07 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.02 -0.04 -0.03 -0.01 0.01 0.04 -0.03 -0.02 0.06 -0.08 -0.01 -0.07 -0.05 0.07 0.13 -0.11 -0.06 0.06 0.01 0.01 -0.00 -0.09 -0.11 -0.02 -0.03 -0.02 -0.03 0.02 0.01 0.01 0.04 0.00 0.13 -0.04 0.11 -0.16 0.13 -0.03 -0.01 -0.06 -0.01 0.05 0.10 -0.09 0.03 0.02 0.07 -0.01 0.08 0.10 0.01 -0.06 -0.14 -0.09 0.05 -0.02 -0.04 -0.06 -0.05 -0.02 0.01 0.30 -0.05 -0.02 -0.08 0.01 -0.03 -0.07 -0.05 0.00 0.11 0.02 -0.03 -0.15 -0.00 -0.02 -0.01 0.02 0.00 0.01 -0.08 0.06 -0.19 -0.06 -0.10 0.11 0.05 -0.01 -0.26 -0.07 0.02 -0.68 0.01 0.02 0.00 0.01 0.05 -0.02 -0.02 -0.03 0.05 0.02 0.02 0.03 0.00 0.02 -0.08 0.06 0.09 0.07 0.05 0.06 0.05 0.01 0.01 -0.01 0.02 0.01 -0.02 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.03 -0.05 -0.00 -0.06 -0.02 0.05 0.06 -0.06 -0.02 0.11 -0.02 -0.02 -0.08 0.06 0.11 -0.08 0.09 -0.05 0.03 0.02 -0.06 0.02 -0.01 -0.01 -0.18 0.08 -0.01 0.06 0.11 -0.07 -0.10 0.08 0.15 -0.01 -0.09 0.10 0.04 -0.05 -0.02 -0.09 0.01 -0.10 -0.01 0.06 0.04 0.24 0.01 0.00 -0.03 0.15 0.03 0.01 -0.07 0.14 0.16 -0.01 -0.05 -0.12 -0.02 -0.04 0.13 0.03 -0.03 -0.10 0.04 0.00 0.01 0.07 -0.01 0.06 -0.04 0.06 -0.14 0.17 -0.21 -0.11 -0.37 0.22 -0.27 -0.11 -0.23 0.30 -0.08 -0.11 0.01 -0.06 -0.01 -0.04 -0.06 0.01 0.04 -0.03 0.00 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 0.01 0.00 0.03 0.03 0.04 -0.02 -0.02 0.02 -0.06 -0.03 0.05 -0.01 0.02 -0.01 -0.02 0.00 0.00 -0.04 0.02 0.02 -0.07 0.08 0.02 0.06 0.04 -0.04 -0.09 0.08 0.04 0.03 -0.00 0.00 -0.01 0.06 0.05 -0.09 0.06 -0.07 -0.02 -0.03 -0.05 -0.09 -0.06 0.01 -0.24 0.02 0.14 -0.01 0.25 -0.11 -0.25 0.18 0.29 -0.07 -0.22 0.19 -0.03 -0.01 -0.00 0.05 -0.07 0.01 0.09 -0.02 0.01 0.41 -0.03 0.06 -0.12 0.19 0.08 0.13 0.03 0.00 0.04 0.01 -0.01 0.17 -0.02 -0.01 -0.00 0.01 0.06 0.10 -0.06 0.05 -0.03 -0.03 -0.03 0.01 0.00 0.01 -0.01 -0.00 -0.05 -0.01 -0.04 0.02 0.28 0.04 -0.04 -0.00 0.03 -0.12 -0.13 0.05 -0.05 -0.00 0.08 -0.03 -0.06 -0.03 0.02 -0.03 -0.02 -0.04 -0.02 -0.03 -0.08 0.00 0.00 -0.00 -0.02 -0.02 -0.05 -0.04 -0.01 0.04 0.08 0.01 -0.02 -0.07 -0.10 0.18 0.05 -0.01 0.01 -0.03 0.01 0.01 -0.01 -0.04 0.02 -0.11 -0.00 0.07 0.03 -0.04 -0.01 -0.06 -0.02 0.01 -0.03 -0.03 -0.01 0.08 -0.03 0.05 0.06 0.02 0.03 0.05 0.01 0.01 0.20 -0.00 -0.11 0.05 -0.18 0.07 0.21 -0.10 -0.21 0.04 0.11 -0.11 -0.00 -0.00 0.00 -0.10 0.11 -0.06 -0.05 0.06 -0.03 -0.23 0.01 -0.04 0.07 -0.13 -0.03 -0.01 -0.01 0.04 0.11 0.05 -0.02 0.10 -0.09 -0.02 0.08 0.04 0.08 0.06 -0.03 0.14 0.01 0.02 -0.13 -0.08 -0.08 0.03 0.12 -0.31 0.28 0.09 0.23 -0.11 0.17 -0.04 -0.33 0.23 -0.01 -0.14 -0.11 0.02 -0.04 -0.01 -0.01 -0.02 -0.01 0.02 -0.02 -0.01 -0.01 -0.02 0.01 -0.02 0.04 -0.02 -0.05 -0.03 -0.03 -0.04 -0.04 -0.07 -0.03 0.06 0.00 -0.02 0.02 -0.09 -0.08 0.14 -0.01 -0.02 0.04 -0.02 0.01 0.01 -0.03 0.01 0.02 -0.00 0.01 0.00 -0.02 0.01 0.01 -0.03 -0.01 0.01 0.02 0.00 -0.02 0.05 -0.05 0.03 0.01 -0.01 0.00 -0.05 -0.02 0.01 0.09 -0.05 0.04 0.05 -0.03 0.03 0.02 0.07 -0.04 -0.04 -0.03 0.02 -0.02 0.01 0.01 -0.02 0.13 -0.06 0.00 0.04 -0.05 0.01 -0.01 0.00 -0.04 -0.00 0.02 0.03 0.00 0.03 0.11 0.04 0.04 0.05 -0.04 0.02 0.06 0.01 -0.21 0.03 -0.02 -0.28 -0.02 0.01 0.35 -0.05 -0.09 0.03 0.10 -0.24 0.26 0.05 0.13 0.00 0.09 -0.02 0.42 0.17 0.00 0.21 -0.11 0.01 -0.10 -0.01 -0.01 0.02 -0.03 -0.05 0.06 0.01 0.01 0.02 -0.02 0.01 -0.15 0.06 0.10 0.07 0.06 0.08 0.06 -0.01 -0.00 -0.00 0.14 0.03 -0.04 -0.06 -0.10 0.25 0.17 0.01 -0.05 -0.04 0.02 0.02 -0.05 0.04 0.02 0.02 0.02 -0.02 -0.06 0.05 0.03 -0.02 -0.03 -0.03 0.14 0.05 -0.06 0.08 -0.14 0.07 -0.06 -0.07 -0.02 -0.21 -0.06 0.00 0.00 -0.17 0.26 0.10 0.08 0.04 -0.22 0.34 0.12 -0.15 -0.22 0.19 -0.05 0.06 0.01 0.14 0.21 -0.10 0.02 0.07 -0.02 0.29 -0.07 0.07 -0.20 0.17 0.08 -0.01 -0.01 0.00 -0.03 -0.04 -0.01 -0.06 0.03 -0.01 -0.01 -0.00 0.04 -0.05 0.03 0.06 0.00 0.02 -0.09 0.00 -0.13 0.10 0.07 -0.25 0.11 0.02 -0.14 0.07 -0.13 -0.01 -0.11 -0.05 -0.03 -0.08 0.06 -0.02 0.04 -0.00 -0.01 -0.00 0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.02 -0.02 -0.00 -0.01 -0.00 0.02 0.00 -0.01 -0.06 -0.01 0.02 0.04 0.06 -0.12 -0.06 0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.05 0.08 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.02 -0.00 0.01 0.01 0.01 -0.00 -0.03 0.03 0.03 -0.01 -0.02 0.02 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.02 0.04 -0.00 0.01 0.00 0.04 0.00 0.01 -0.00 0.01 -0.01 -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 -0.00 -0.11 -0.15 -0.06 0.37 0.56 -0.04 0.42 0.55 -0.03 -0.00 -0.02 -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 -0.01 -0.00 0.00 0.01 0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.01 0.00 0.04 0.05 -0.08 0.04 0.07 -0.00 0.02 -0.02 0.04 -0.06 -0.09 0.03 -0.01 0.10 -0.22 -0.06 -0.16 0.04 0.12 0.01 -0.15 -0.05 -0.09 0.02 -0.06 0.04 0.00 0.06 0.01 0.02 -0.07 -0.03 0.01 -0.16 -0.08 0.03 -0.01 -0.12 0.04 -0.09 0.00 -0.00 0.01 0.09 -0.04 0.03 -0.07 -0.01 0.02 0.02 0.02 0.03 -0.02 0.01 0.02 -0.00 0.01 0.14 -0.02 -0.01 -0.19 0.44 -0.20 -0.15 -0.40 0.42 0.13 -0.01 0.04 0.06 0.05 0.20 -0.04 0.01 -0.02 -0.00 -0.02 0.00 0.01 0.02 -0.01 0.01 0.01 0.01 0.02 0.00 0.05 -0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.01 0.02 0.02 -0.00 0.00 -0.04 -0.04 0.08 0.01 -0.01 0.01 0.02 -0.01 -0.01 0.02 0.00 -0.01 0.04 -0.00 -0.02 0.01 0.00 -0.00 -0.02 -0.01 0.01 0.03 -0.02 0.06 -0.02 -0.20 0.07 -0.02 -0.04 -0.06 0.06 0.20 -0.08 -0.06 -0.27 0.46 0.11 0.21 -0.00 -0.18 0.02 0.23 0.05 0.12 0.02 0.04 0.01 -0.03 0.01 -0.02 0.00 -0.08 -0.03 0.01 0.32 0.05 -0.02 0.03 0.33 -0.06 -0.13 0.00 -0.00 0.00 0.11 -0.03 0.02 -0.09 -0.00 0.01 0.03 0.01 0.03 -0.03 0.00 0.02 -0.00 0.01 0.04 0.04 -0.03 -0.08 0.20 -0.13 -0.03 -0.06 0.05 0.13 -0.03 0.01 0.08 0.06 0.20 -0.04 0.01 -0.03 -0.01 -0.02 0.01 0.01 0.03 -0.02 0.01 0.01 0.02 0.03 0.01 0.07 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.02 -0.01 0.02 0.02 -0.00 0.00 -0.04 -0.05 0.08 0.01 -0.01 0.01 0.03 -0.01 -0.01 0.02 0.00 -0.01 0.06 -0.01 -0.03 0.02 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 0.03 0.02 0.05 -0.03 0.00 -0.03 0.01 -0.01 0.04 -0.04 0.00 -0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.03 -0.01 0.04 -0.02 -0.00 -0.06 -0.01 0.02 0.00 0.10 -0.01 -0.03 -0.15 0.00 0.02 -0.08 -0.01 -0.01 0.07 -0.00 0.01 0.03 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.05 -0.10 0.04 0.01 0.01 -0.06 -0.01 0.01 0.44 -0.02 -0.06 0.84 0.01 -0.00 0.01 -0.00 0.01 -0.02 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.02 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.03 -0.00 0.02 0.02 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.03 0.01 0.03 -0.01 0.02 -0.03 0.00 -0.01 0.04 -0.03 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.02 -0.01 -0.00 -0.02 -0.01 -0.01 -0.00 0.03 0.00 0.00 0.08 0.01 -0.00 -0.15 0.01 0.00 -0.05 -0.00 0.01 0.10 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.03 0.05 -0.02 -0.01 -0.01 0.04 0.01 -0.01 0.84 0.01 0.02 -0.48 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.05 -0.03 -0.04 -0.04 -0.03 -0.03 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.02 0.00 -0.01 -0.02 0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.05 -0.06 -0.03 0.02 0.12 0.00 0.04 -0.05 0.04 -0.01 -0.09 0.02 0.08 -0.28 -0.16 -0.37 0.19 -0.02 0.31 -0.10 0.13 -0.36 0.30 0.02 0.02 0.04 -0.03 -0.01 0.02 0.00 -0.01 -0.00 0.07 -0.25 0.14 -0.01 0.47 0.05 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.03 -0.01 0.02 0.04 -0.04 -0.00 -0.00 0.11 -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.02 -0.03 -0.08 -0.04 0.06 0.27 -0.06 -0.01 -0.09 0.10 -0.02 -0.44 -0.07 0.09 -0.27 -0.11 0.10 0.42 -0.20 -0.21 -0.24 0.21 -0.09 -0.04 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.02 -0.06 -0.10 -0.35 0.17 -0.06 0.06 0.00 0.00 0.01 -0.05 -0.00 0.01 0.06 0.01 0.00 -0.02 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.03 -0.01 0.00 -0.02 0.06 -0.03 -0.02 -0.08 0.07 -0.02 0.04 -0.04 -0.02 -0.04 0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.04 0.00 0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 -0.02 -0.00 0.00 -0.01 -0.02 0.01 0.01 -0.02 -0.00 0.01 -0.04 0.01 0.02 -0.01 -0.00 0.00 -0.15 -0.01 -0.01 -0.06 0.00 0.00 0.11 -0.07 0.03 -0.05 -0.03 0.02 0.09 0.06 -0.04 0.37 -0.07 0.05 0.25 0.00 -0.00 -0.09 -0.01 0.08 0.15 -0.03 0.04 -0.08 0.10 -0.05 -0.10 0.00 -0.01 -0.05 -0.03 0.02 0.05 -0.04 0.05 0.33 0.04 0.01 0.12 -0.00 -0.00 0.05 -0.16 -0.00 0.03 0.18 0.01 0.04 -0.07 0.00 0.02 0.02 -0.01 -0.02 -0.04 0.00 0.11 -0.02 0.02 -0.08 0.22 -0.13 -0.11 -0.37 0.29 0.07 0.21 -0.03 0.04 -0.16 -0.05 0.00 -0.00 0.01 0.04 0.05 -0.04 -0.01 -0.01 0.03 -0.02 -0.02 -0.03 -0.03 -0.02 -0.07 0.00 0.01 -0.01 -0.01 -0.00 -0.04 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.09 0.03 0.04 -0.07 -0.01 0.04 -0.15 0.02 0.08 -0.06 -0.01 0.02 -0.04 0.00 -0.00 -0.01 -0.00 -0.00 0.03 -0.01 0.00 -0.01 -0.02 0.01 0.01 0.02 -0.02 0.07 -0.01 -0.00 0.05 -0.01 0.00 -0.02 -0.04 0.03 0.02 -0.00 0.02 -0.02 0.02 -0.01 -0.01 -0.04 0.02 -0.00 0.01 -0.02 0.01 -0.04 0.03 0.06 0.04 -0.00 0.03 0.00 0.01 -0.10 -0.07 -0.00 0.12 -0.02 0.01 -0.07 0.18 -0.00 0.07 0.20 -0.01 0.00 0.28 -0.00 0.02 -0.01 0.00 -0.00 0.02 -0.01 -0.03 -0.09 0.06 0.05 -0.07 -0.06 -0.02 -0.12 -0.01 0.02 -0.02 -0.01 -0.11 -0.13 0.08 0.02 -0.11 0.18 -0.11 -0.11 -0.19 -0.23 -0.09 -0.50 -0.03 0.07 -0.11 0.03 0.08 -0.05 -0.01 -0.02 0.03 -0.04 -0.02 0.02 0.00 0.05 -0.04 -0.04 0.01 0.02 0.16 -0.08 -0.08 0.08 0.08 -0.06 0.39 -0.04 -0.21 0.04 0.07 -0.00 -0.03 0.00 -0.00 -0.01 0.03 0.01 -0.08 -0.11 0.04 0.03 0.17 -0.08 0.05 -0.12 0.06 -0.21 -0.16 0.26 -0.20 0.09 0.03 0.10 0.52 -0.33 0.13 -0.05 -0.05 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.02 0.01 0.00 0.34 -0.19 0.23 -0.32 0.04 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.02 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.03 -0.02 -0.02 -0.05 0.03 0.03 0.03 -0.01 0.01 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -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 -0.02 0.04 -0.03 -0.05 0.02 0.02 0.02 -0.05 -0.02 0.02 0.00 0.04 -0.00 -0.00 -0.04 0.17 -0.07 0.10 -0.06 0.06 -0.02 0.10 0.04 -0.11 -0.03 -0.07 0.06 -0.05 0.07 -0.03 -0.04 -0.06 0.03 0.05 0.03 -0.01 -0.09 -0.02 0.02 0.16 0.06 0.02 0.09 0.02 0.01 0.06 0.16 0.00 0.04 -0.16 -0.00 -0.03 -0.04 0.00 -0.00 0.04 0.01 -0.13 -0.01 -0.01 0.02 -0.03 0.02 0.06 -0.09 0.08 -0.06 -0.16 0.13 -0.39 -0.43 -0.00 -0.23 0.32 0.00 -0.07 -0.07 0.15 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.02 0.00 -0.03 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.13 0.08 -0.17 0.01 0.05 -0.08 0.14 0.12 -0.21 0.03 0.08 -0.13 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.05 -0.00 0.02 0.03 -0.02 -0.02 -0.01 -0.01 0.00 0.00 -0.05 -0.09 0.01 0.07 0.12 -0.02 -0.05 -0.11 0.01 0.04 0.11 -0.38 0.10 -0.21 0.42 -0.25 0.11 -0.22 0.08 0.19 0.13 0.25 -0.20 0.01 -0.01 -0.01 -0.01 0.02 0.01 -0.01 -0.01 0.01 0.34 0.11 -0.12 -0.07 -0.33 -0.03 -0.00 -0.00 -0.00 0.02 0.02 0.00 0.02 -0.01 0.00 0.00 -0.01 0.00 0.01 0.02 -0.00 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.02 0.01 0.01 -0.02 0.01 -0.02 -0.01 0.01 0.02 -0.00 -0.02 -0.02 0.04 0.01 0.00 -0.01 0.01 0.00 0.02 -0.01 -0.01 -0.02 -0.02 -0.01 -0.03 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.03 0.02 -0.05 0.01 0.02 -0.02 0.04 0.03 -0.05 0.01 0.02 -0.04 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.02 0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.08 0.05 0.06 -0.00 0.04 -0.05 0.02 -0.05 -0.01 0.04 0.02 0.02 -0.03 -0.03 0.09 0.02 0.00 -0.21 0.09 -0.04 0.01 -0.14 0.04 -0.02 -0.09 0.06 0.05 -0.10 0.05 0.05 0.13 -0.08 -0.06 -0.08 0.04 -0.12 -0.03 0.04 -0.16 0.14 -0.01 -0.08 -0.02 -0.02 0.04 -0.02 0.00 0.04 0.04 0.01 0.01 -0.01 0.00 0.02 0.03 -0.00 -0.09 -0.01 -0.01 -0.01 0.04 -0.02 -0.17 0.26 -0.20 0.12 0.26 -0.19 0.41 0.26 -0.04 0.30 -0.16 -0.00 -0.07 -0.06 0.11 0.02 -0.01 -0.01 0.02 0.02 0.06 -0.03 -0.02 -0.06 -0.04 -0.02 -0.08 -0.01 0.00 -0.04 -0.02 -0.01 -0.05 0.09 0.06 -0.13 0.02 0.04 -0.06 0.09 0.08 -0.13 0.04 0.06 -0.11 -0.03 0.00 0.02 -0.03 0.01 0.01 -0.02 0.01 0.00 -0.03 0.01 0.02 -0.01 -0.03 0.02 0.02 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.02 0.01 -0.01 -0.05 0.02 -0.01 -0.01 -0.04 0.02 0.01 -0.02 0.01 0.02 -0.03 0.02 0.02 0.04 -0.02 -0.02 -0.03 0.01 -0.02 -0.00 0.01 -0.06 0.03 -0.00 -0.02 0.00 -0.00 -0.02 0.08 -0.00 -0.02 -0.06 0.00 0.04 -0.11 0.00 0.04 0.08 -0.01 0.03 -0.04 0.01 -0.00 0.01 -0.01 -0.05 0.08 -0.06 0.04 0.08 -0.07 -0.50 -0.34 -0.04 -0.47 0.31 0.04 0.06 0.04 -0.07 0.11 0.00 -0.06 0.07 0.05 0.14 -0.07 -0.05 -0.16 -0.08 -0.05 -0.14 -0.05 -0.01 -0.12 -0.04 0.00 -0.09 -0.05 -0.03 0.08 0.02 -0.02 0.00 -0.05 -0.04 0.06 -0.03 -0.05 0.08 -0.12 0.04 0.07 -0.05 -0.03 0.02 -0.16 0.03 0.08 -0.11 -0.01 0.04 -0.11 -0.08 0.05 -0.02 -0.02 0.02 -0.04 0.01 0.01 0.01 0.03 -0.03 0.05 -0.01 0.01 0.19 0.04 -0.05 0.05 -0.02 0.01 -0.02 -0.14 0.09 0.05 0.01 -0.02 -0.03 -0.04 0.01 -0.06 0.20 -0.12 0.08 -0.18 0.10 0.03 0.04 -0.03 -0.02 -0.01 -0.01 0.17 -0.01 -0.02 0.00 0.05 0.00 0.01 -0.01 0.00 -0.06 0.03 -0.00 -0.00 -0.03 0.01 0.01 -0.02 0.00 0.04 0.03 -0.02 -0.18 0.32 -0.23 0.09 0.12 -0.10 -0.38 -0.24 -0.01 -0.35 0.25 0.03 0.03 0.02 -0.04 -0.12 0.03 0.06 -0.04 -0.03 -0.07 0.03 0.02 0.07 0.03 0.02 0.05 0.02 0.01 0.06 0.02 0.00 0.04 -0.03 -0.02 0.04 -0.01 -0.02 0.01 -0.02 -0.02 0.03 -0.01 -0.01 0.03 0.12 -0.01 -0.08 0.08 -0.05 -0.00 0.01 -0.03 0.03 0.19 -0.06 -0.09 0.07 0.01 -0.01 -0.02 0.02 -0.02 0.02 -0.01 -0.00 0.00 -0.02 0.02 -0.03 -0.00 -0.01 -0.04 -0.02 0.03 0.10 0.01 -0.02 0.04 0.10 -0.07 -0.10 0.01 0.01 0.01 0.05 -0.02 -0.03 -0.02 0.01 0.00 -0.02 0.02 -0.02 0.01 -0.00 0.06 -0.00 0.01 -0.02 -0.01 0.00 0.04 0.01 0.00 -0.06 0.06 0.00 -0.06 -0.01 -0.00 0.04 -0.05 -0.01 0.02 -0.14 0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.01 0.02 0.04 -0.02 -0.30 -0.08 -0.02 0.54 -0.24 -0.02 -0.00 0.01 0.01 -0.10 0.04 0.06 0.06 0.07 0.11 -0.05 0.01 -0.13 0.07 -0.01 0.15 -0.02 -0.10 -0.09 -0.12 -0.08 -0.15 -0.02 0.02 -0.02 0.12 0.05 -0.09 -0.06 -0.10 0.13 0.07 -0.03 -0.01 0.09 0.03 -0.09 0.02 -0.11 0.08 -0.14 -0.01 0.16 0.34 -0.13 -0.15 -0.09 0.01 -0.01 0.04 -0.02 0.05 -0.03 0.01 0.00 -0.00 0.03 -0.05 0.04 0.01 0.04 0.20 0.03 -0.05 -0.31 -0.03 0.05 -0.07 -0.13 0.13 0.27 0.01 -0.04 -0.03 -0.07 0.00 0.06 -0.01 0.00 -0.01 0.07 -0.04 0.06 -0.07 0.03 -0.22 -0.03 -0.03 0.01 0.01 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 -0.01 0.00 0.01 0.02 -0.02 0.12 -0.13 0.10 -0.13 -0.21 0.15 -0.08 -0.04 -0.00 0.04 -0.02 -0.01 0.00 0.01 0.00 0.01 0.01 0.04 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.02 -0.00 -0.01 -0.00 -0.01 -0.01 -0.02 -0.00 -0.02 -0.00 -0.03 -0.02 0.08 -0.00 0.04 0.02 0.03 0.06 -0.06 -0.04 -0.00 -0.09 -0.37 0.06 0.32 0.14 -0.02 0.16 0.44 -0.01 -0.07 -0.06 0.01 -0.01 0.02 -0.01 0.03 -0.02 0.00 0.00 -0.00 0.02 -0.04 0.03 0.01 0.03 0.18 0.02 -0.04 -0.24 -0.03 0.04 -0.05 -0.09 0.09 0.20 0.01 -0.04 -0.02 -0.04 -0.00 0.04 -0.00 0.00 0.00 0.04 -0.02 0.05 -0.06 0.02 -0.17 -0.03 -0.03 0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.03 -0.00 0.01 0.02 -0.01 0.10 -0.11 0.08 -0.10 -0.16 0.12 -0.11 -0.04 -0.00 0.11 -0.05 -0.02 -0.00 -0.01 0.00 -0.05 -0.00 -0.03 0.01 0.01 0.01 -0.01 0.01 -0.01 0.03 -0.00 0.04 0.01 -0.02 0.01 -0.02 -0.02 -0.04 -0.01 0.04 0.00 0.10 0.04 -0.15 -0.02 -0.09 0.02 -0.02 -0.11 0.09 0.08 0.03 0.07 0.46 -0.14 -0.35 -0.26 0.02 -0.12 -0.39 -0.05 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.04 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.01 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 0.01 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 0.02 -0.02 0.00 -0.01 -0.01 0.02 0.02 0.04 -0.01 -0.03 -0.07 0.05 0.09 -0.15 -0.03 -0.22 -0.01 0.03 0.20 -0.01 -0.11 -0.05 -0.19 -0.08 0.55 -0.02 0.24 0.16 0.21 0.39 -0.41 0.02 0.00 0.02 0.14 -0.04 -0.11 -0.08 0.00 -0.03 -0.12 -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 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 0.02 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.05 0.02 0.02 0.12 -0.04 -0.03 -0.23 0.14 0.14 -0.38 -0.02 -0.53 0.03 0.10 0.57 0.00 0.05 0.02 0.08 0.04 -0.23 0.01 -0.10 -0.05 -0.08 -0.15 0.16 -0.00 0.00 -0.01 -0.04 0.00 0.03 0.02 -0.00 0.01 0.05 -0.00 -0.01 0.07 0.00 0.00 -0.05 0.08 0.01 0.01 -0.02 -0.00 0.01 -0.07 -0.04 -0.05 0.04 0.10 0.53 0.01 -0.03 -0.37 -0.04 0.05 -0.02 0.32 -0.11 0.24 0.14 -0.13 0.04 0.05 -0.08 -0.04 -0.01 0.00 0.00 -0.06 0.03 0.10 -0.28 0.11 -0.35 -0.15 -0.03 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.02 0.02 -0.08 0.08 -0.07 0.10 0.13 -0.10 0.07 0.04 0.00 -0.04 0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.02 0.03 0.01 0.04 0.00 -0.00 -0.03 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.04 0.03 0.02 0.05 -0.00 -0.02 -0.01 0.02 0.02 -0.06 -0.05 0.02 0.02 0.00 0.00 0.04 0.00 -0.02 -0.02 -0.01 0.01 0.01 0.03 0.01 -0.18 -0.01 0.03 -0.12 0.01 0.00 -0.01 0.13 -0.06 0.09 0.01 -0.00 -0.01 -0.03 0.01 0.03 -0.05 0.03 -0.04 0.12 -0.07 -0.01 -0.09 0.06 0.05 -0.04 -0.00 0.03 0.04 0.01 0.01 -0.02 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.03 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.08 0.06 -0.35 0.38 -0.29 0.29 0.37 -0.26 -0.30 -0.18 0.02 0.17 -0.10 0.03 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.03 -0.01 -0.03 0.01 -0.02 0.04 -0.06 -0.00 -0.11 -0.00 0.06 0.02 0.06 0.05 0.08 -0.00 -0.01 0.00 -0.01 -0.01 0.02 0.00 0.01 0.00 0.01 0.02 -0.01 0.01 0.02 -0.00 0.05 -0.07 -0.01 -0.11 0.01 0.05 0.04 -0.06 -0.04 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 -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 0.01 0.01 0.00 -0.03 -0.01 -0.00 -0.01 0.02 0.00 0.00 0.05 0.01 0.02 -0.02 -0.00 0.05 -0.02 -0.02 0.00 -0.01 0.01 -0.04 0.05 -0.04 0.03 0.04 -0.03 -0.21 -0.09 -0.01 -0.01 -0.02 0.01 0.00 -0.03 0.05 0.02 0.04 -0.02 -0.01 -0.01 0.00 0.00 0.02 -0.01 0.05 0.01 0.10 -0.01 -0.05 -0.02 -0.04 -0.04 -0.02 -0.07 0.04 -0.08 0.28 0.13 -0.07 -0.19 -0.22 0.42 0.28 -0.01 -0.13 -0.02 -0.10 0.02 -0.14 0.25 -0.01 0.41 -0.03 -0.24 -0.19 0.22 0.16 -0.02 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.04 -0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 0.02 -0.01 0.01 -0.01 0.00 0.06 -0.02 0.00 0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.03 -0.03 -0.02 0.00 0.02 0.01 -0.02 0.01 -0.08 0.09 -0.07 0.06 0.07 -0.05 -0.00 -0.01 -0.02 0.01 -0.00 0.02 -0.02 0.02 -0.03 -0.00 0.03 -0.01 0.00 -0.04 0.05 0.02 0.10 -0.06 0.23 0.06 0.50 -0.07 -0.27 -0.13 -0.24 -0.21 -0.17 0.06 -0.02 0.05 -0.21 -0.09 0.04 0.15 0.15 -0.32 -0.23 -0.01 0.11 0.00 -0.06 0.01 -0.05 0.14 -0.03 0.21 -0.02 -0.15 -0.14 0.13 0.10 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.02 0.01 0.02 -0.00 -0.00 -0.02 -0.00 0.11 0.00 -0.01 0.07 -0.01 0.01 -0.00 -0.12 0.06 -0.01 -0.03 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 0.10 -0.05 -0.10 0.03 -0.00 -0.01 0.02 -0.00 0.00 0.02 -0.00 0.01 0.02 -0.00 -0.05 -0.01 0.01 0.04 -0.01 0.01 -0.02 -0.07 0.01 -0.00 0.01 -0.01 0.04 -0.04 0.03 -0.04 -0.04 0.03 -0.28 -0.14 0.01 0.39 -0.18 -0.01 -0.02 0.02 -0.03 0.01 0.05 -0.01 0.00 0.05 -0.02 -0.01 -0.07 0.03 -0.16 -0.04 -0.33 0.03 0.19 0.07 0.16 0.15 0.12 0.05 -0.02 0.04 -0.17 -0.08 0.05 0.12 0.13 -0.25 -0.17 0.02 0.07 0.00 -0.07 0.02 -0.07 0.18 -0.04 0.26 -0.03 -0.18 -0.17 0.16 0.12 0.01 -0.01 0.00 0.01 -0.02 0.04 -0.01 0.03 0.01 0.01 -0.05 -0.08 -0.02 0.03 -0.01 0.20 0.05 -0.08 -0.38 -0.08 0.08 -0.07 0.04 0.04 -0.50 0.18 -0.02 -0.02 0.01 0.04 0.02 0.01 -0.01 0.01 0.00 -0.00 0.17 -0.08 -0.02 0.64 -0.17 0.07 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 0.02 0.01 -0.00 0.04 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.03 -0.01 -0.06 0.01 0.03 0.01 0.03 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 0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.02 0.02 -0.01 -0.02 0.04 -0.02 -0.07 -0.03 0.08 0.03 0.05 -0.04 -0.00 -0.08 -0.01 0.48 0.02 -0.08 0.12 -0.07 0.07 -0.04 -0.48 0.26 -0.19 -0.05 0.01 -0.01 0.05 -0.02 0.02 -0.04 0.02 0.00 0.02 -0.01 0.08 0.37 -0.23 -0.12 0.07 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 0.02 -0.00 0.00 -0.06 0.04 -0.14 0.13 -0.10 0.14 0.15 -0.10 0.04 0.02 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.03 0.01 0.06 -0.01 -0.04 -0.01 -0.03 -0.03 -0.02 -0.01 0.00 -0.01 0.03 0.01 -0.00 -0.02 -0.03 0.05 0.03 -0.00 -0.02 -0.01 0.02 -0.00 0.02 -0.06 0.01 -0.08 0.01 0.05 0.04 -0.05 -0.03 0.02 -0.03 0.02 0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.05 0.01 -0.01 0.02 0.01 -0.01 0.00 0.07 -0.03 -0.11 0.04 -0.01 0.03 0.00 0.00 -0.01 0.03 -0.02 -0.02 -0.06 0.03 0.00 -0.01 0.00 -0.02 0.01 0.00 -0.03 0.10 -0.01 -0.03 0.00 0.00 0.04 0.02 -0.00 -0.08 0.01 -0.00 0.11 0.05 0.00 -0.00 0.08 -0.00 -0.01 0.06 -0.04 0.14 -0.12 0.09 -0.13 -0.13 0.09 -0.45 -0.26 0.00 0.48 -0.27 -0.02 0.01 -0.00 0.00 0.09 -0.09 -0.02 -0.07 -0.11 -0.04 0.04 0.07 0.04 0.12 0.04 0.21 -0.05 -0.17 -0.05 -0.12 -0.14 -0.08 -0.01 -0.00 -0.00 0.02 0.01 0.02 -0.02 0.00 0.04 0.03 0.02 -0.03 -0.07 0.05 0.03 0.02 -0.14 0.02 -0.12 0.04 0.10 0.08 -0.12 -0.06 0.00 -0.01 0.01 0.01 0.03 -0.02 0.00 -0.00 0.00 -0.02 -0.02 0.00 0.02 -0.02 -0.00 0.04 0.01 -0.02 -0.01 0.01 0.00 -0.02 0.08 -0.03 -0.20 0.06 -0.02 0.04 -0.02 0.02 0.01 -0.00 0.00 -0.06 0.00 -0.00 0.01 0.05 -0.03 -0.09 0.06 -0.00 0.01 0.01 -0.00 -0.06 -0.10 -0.00 -0.05 0.08 -0.00 0.08 0.12 0.00 0.07 -0.14 0.00 0.27 0.03 0.01 -0.00 0.02 -0.01 0.04 -0.03 0.02 -0.03 -0.02 0.01 -0.42 -0.12 0.01 -0.47 0.11 0.00 -0.23 -0.03 0.03 0.00 -0.05 0.01 0.01 0.04 -0.00 -0.01 -0.02 -0.01 0.01 -0.03 -0.02 0.06 0.05 0.06 0.05 0.07 0.07 0.11 0.03 -0.07 -0.29 -0.06 0.09 0.10 0.04 -0.07 -0.27 -0.04 0.09 -0.02 0.04 -0.00 0.05 -0.12 0.01 0.01 0.03 0.03 0.11 -0.11 -0.07 0.04 0.03 -0.02 -0.00 -0.08 0.05 0.06 0.01 -0.00 0.03 0.07 -0.03 -0.09 0.03 -0.01 -0.27 -0.03 0.08 -0.28 -0.07 0.06 -0.01 -0.41 0.21 0.56 -0.24 0.08 -0.07 0.05 -0.05 -0.03 0.03 -0.02 0.09 -0.05 0.03 -0.02 -0.03 0.02 0.27 -0.18 0.01 -0.02 0.02 -0.00 -0.03 0.01 -0.00 -0.04 -0.02 0.00 -0.05 0.03 0.00 0.00 -0.05 -0.00 0.05 0.03 -0.00 0.01 -0.04 0.02 -0.06 0.04 -0.04 0.07 0.06 -0.04 0.05 0.03 -0.00 0.12 -0.07 0.01 -0.03 -0.00 0.00 0.05 -0.05 -0.01 0.02 0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.03 0.02 0.02 0.03 0.02 0.01 0.00 -0.01 -0.04 -0.01 0.03 0.00 -0.01 0.02 -0.03 -0.02 0.02 -0.04 0.02 0.02 0.02 -0.06 -0.00 0.01 0.02 0.01 0.04 -0.06 -0.02 -0.04 -0.00 -0.00 -0.01 -0.05 0.01 -0.17 -0.01 -0.01 0.05 0.02 0.01 0.00 0.03 0.02 0.31 0.02 -0.06 0.65 0.11 -0.15 0.13 0.20 -0.19 0.05 0.06 -0.03 -0.05 -0.01 0.00 0.05 0.01 -0.00 0.08 0.03 -0.01 -0.05 -0.40 0.23 0.13 -0.08 0.01 -0.01 0.02 -0.00 -0.01 0.01 -0.00 -0.04 -0.03 0.00 -0.04 0.02 0.00 -0.02 -0.05 -0.00 0.03 0.03 -0.00 0.01 -0.02 0.01 -0.05 0.05 -0.04 0.03 0.02 -0.01 0.09 0.04 -0.00 0.12 -0.06 0.01 -0.01 -0.00 0.00 0.03 -0.03 -0.01 0.02 0.03 0.01 -0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.02 0.03 0.02 0.02 0.04 0.02 0.00 0.00 -0.01 -0.02 0.00 0.02 -0.00 -0.01 0.02 -0.01 -0.02 0.01 -0.03 0.01 0.01 0.01 -0.04 -0.00 0.02 0.01 0.00 0.02 -0.04 -0.01 0.08 0.03 -0.01 0.01 -0.03 0.01 -0.05 -0.03 -0.00 0.05 0.10 -0.05 -0.09 0.01 0.02 0.03 -0.03 0.03 0.25 0.03 -0.05 0.03 -0.28 0.12 0.16 -0.08 0.04 0.01 0.02 -0.01 0.04 -0.00 0.01 -0.11 -0.01 -0.00 -0.08 -0.52 0.29 0.27 -0.22 0.03 -0.05 -0.10 0.01 -0.07 0.01 -0.00 0.12 0.10 0.00 0.16 0.02 -0.01 0.00 0.14 0.00 -0.00 -0.13 0.01 -0.01 -0.01 0.01 0.01 -0.04 0.02 0.02 0.04 -0.03 -0.26 -0.12 -0.00 -0.14 0.04 -0.00 -0.02 0.00 -0.00 -0.04 0.03 0.02 -0.05 -0.07 -0.02 0.02 0.03 0.04 0.01 0.02 -0.03 -0.05 -0.09 -0.04 -0.06 -0.08 -0.06 0.01 -0.00 0.00 -0.01 -0.01 -0.03 0.03 0.04 -0.05 -0.03 0.04 -0.01 0.03 0.00 -0.02 -0.01 0.01 0.02 -0.06 -0.01 0.05 0.00 0.03 -0.01 -0.01 -0.02 0.01 -0.00 -0.05 0.03 -0.06 0.05 0.00 0.02 -0.13 0.08 -0.06 0.05 -0.04 0.21 0.09 -0.12 0.00 -0.00 -0.00 0.10 0.26 -0.20 0.42 -0.18 0.07 -0.01 -0.01 -0.00 0.03 0.01 -0.01 0.02 0.02 -0.01 0.10 0.61 -0.36 0.16 -0.01 -0.02 -0.02 -0.04 0.00 -0.05 0.02 -0.00 0.05 0.02 0.00 0.05 0.04 -0.00 -0.04 0.04 -0.00 0.01 -0.06 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.04 -0.03 -0.00 0.04 -0.03 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.02 0.01 0.00 -0.01 0.01 -0.00 0.01 -0.02 0.00 -0.01 0.01 0.02 0.02 -0.01 -0.01 0.05 -0.06 0.04 0.02 0.00 -0.00 -0.07 0.01 0.01 0.05 -0.01 0.01 -0.17 0.05 -0.02 0.19 0.04 -0.06 0.16 0.02 -0.02 0.08 -0.10 -0.00 0.43 -0.25 0.13 0.09 -0.00 -0.00 0.04 -0.01 0.01 -0.16 0.01 -0.01 0.02 0.08 -0.05 0.37 -0.23 0.01 0.00 0.11 -0.01 0.18 -0.11 0.00 -0.10 -0.02 -0.00 -0.05 -0.14 0.01 0.16 -0.07 0.01 -0.03 0.16 -0.01 -0.02 0.05 -0.04 0.08 -0.06 0.05 -0.07 -0.02 0.01 -0.06 0.01 0.02 -0.32 0.15 -0.01 0.01 -0.01 0.01 -0.07 0.08 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.05 0.01 -0.04 -0.01 0.01 0.00 0.03 0.01 -0.02 0.06 -0.04 -0.02 -0.05 0.13 0.01 -0.05 -0.03 -0.04 -0.10 0.09 0.04 -0.15 -0.24 0.14 -0.04 0.16 -0.10 0.04 -0.03 0.02 0.02 0.05 -0.03 -0.19 -0.00 -0.00 0.06 -0.04 0.06 0.06 -0.06 0.03 -0.03 -0.28 0.17 0.07 -0.21 0.15 0.28 -0.00 0.02 -0.10 -0.05 0.02 0.04 0.08 -0.05 -0.03 -0.16 0.08 0.20 -0.26 0.01 0.12 0.01 0.02 -0.07 0.03 -0.00 0.07 -0.04 0.00 0.00 0.10 -0.00 -0.19 -0.06 -0.01 -0.02 -0.05 0.00 0.00 0.13 -0.08 0.12 0.01 -0.00 -0.17 -0.10 0.06 0.09 -0.05 -0.01 0.18 -0.10 0.01 0.03 0.00 -0.01 0.04 -0.05 -0.00 0.04 0.05 0.02 -0.02 -0.02 -0.04 0.01 0.00 0.20 0.11 0.13 0.08 0.06 0.11 0.10 -0.00 0.00 0.00 -0.02 0.00 0.05 -0.00 -0.04 -0.02 0.04 -0.04 0.02 -0.04 0.02 0.02 0.07 -0.11 -0.05 0.12 0.03 -0.03 0.09 -0.09 -0.03 0.02 0.06 -0.04 0.01 0.01 -0.01 0.00 -0.02 0.02 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.18 -0.02 0.18 -0.02 0.04 -0.04 -0.07 0.02 -0.03 0.04 0.01 -0.03 0.02 0.01 -0.00 0.00 -0.08 -0.01 0.01 0.09 0.01 0.02 0.04 -0.04 -0.01 0.05 -0.06 0.00 0.06 0.01 0.00 -0.02 0.02 -0.00 -0.08 0.07 0.00 0.03 -0.01 0.00 -0.03 -0.04 -0.00 -0.00 -0.02 0.01 -0.01 -0.01 0.01 0.02 0.01 -0.00 0.03 0.06 0.00 -0.10 0.11 -0.00 0.01 0.01 -0.00 0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.01 0.00 -0.04 -0.03 -0.00 -0.03 -0.00 -0.02 -0.04 -0.02 -0.01 0.02 0.15 0.03 -0.02 0.03 0.11 -0.17 0.12 0.02 -0.03 -0.09 0.03 0.04 0.27 -0.26 -0.26 0.53 0.09 -0.23 0.35 -0.26 -0.08 0.04 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.02 -0.01 0.00 0.00 0.02 0.00 0.00 -0.04 0.02 -0.22 -0.04 0.22 -0.02 0.05 -0.05 -0.09 0.01 0.01 -0.00 -0.04 0.00 -0.00 0.01 0.01 -0.00 -0.03 -0.02 0.01 0.11 0.00 0.03 -0.01 0.01 -0.00 0.00 0.03 -0.00 -0.03 -0.01 -0.00 0.04 0.01 0.00 0.04 0.01 -0.00 -0.02 -0.04 -0.00 -0.02 0.03 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.10 -0.08 -0.00 0.01 -0.04 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.03 -0.03 -0.06 0.03 0.00 0.47 0.24 0.29 0.20 0.11 0.21 0.20 -0.03 -0.02 0.03 0.29 0.04 -0.17 0.05 0.23 -0.26 0.16 0.12 -0.11 0.01 -0.00 -0.02 -0.02 -0.02 0.04 -0.06 -0.02 0.15 -0.09 0.12 0.04 -0.00 -0.01 0.00 0.00 0.02 -0.01 0.02 -0.05 0.05 -0.03 0.01 0.01 -0.00 0.01 -0.00 -0.09 0.05 -0.56 -0.08 0.57 -0.04 0.13 -0.16 -0.20 0.00 -0.02 0.03 -0.00 -0.01 0.00 -0.02 -0.00 0.00 0.02 -0.00 0.00 0.28 -0.01 0.09 0.00 -0.04 -0.01 -0.00 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.00 0.04 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.02 -0.02 0.00 -0.12 -0.06 -0.07 -0.05 -0.04 -0.06 -0.06 0.02 0.02 -0.02 -0.18 -0.02 0.10 -0.03 -0.15 0.14 -0.08 -0.07 0.06 0.02 -0.01 -0.00 -0.06 0.07 0.05 -0.11 -0.01 -0.01 -0.05 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 0.01 0.00 -0.00 0.01 -0.00 0.04 0.01 -0.04 0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.02 -0.00 0.00 0.01 0.00 -0.00 -0.03 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 -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 -0.03 -0.02 -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 -0.01 -0.00 -0.01 0.00 0.05 0.00 0.05 -0.00 0.02 0.01 -0.02 -0.02 0.05 0.01 -0.36 -0.03 0.24 0.03 -0.54 -0.40 0.55 -0.18 -0.00 0.00 0.00 -0.00 -0.02 -0.04 0.06 0.01 0.00 0.01 -0.07 -0.02 -0.01 0.03 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.02 -0.01 0.07 0.01 -0.07 0.00 0.00 0.01 -0.01 0.01 -0.01 0.02 -0.03 -0.01 0.00 0.02 0.00 -0.00 -0.05 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.01 0.03 0.00 -0.00 0.01 0.01 0.00 0.03 0.00 0.00 -0.01 -0.00 0.00 -0.03 0.00 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 -0.02 -0.00 0.03 -0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 -0.03 -0.03 -0.28 0.15 0.34 0.17 0.39 0.12 -0.06 -0.09 -0.03 0.03 0.01 -0.04 -0.14 0.00 0.21 -0.05 -0.06 0.30 -0.24 -0.16 0.15 0.01 0.01 0.03 -0.09 0.16 0.06 -0.10 0.04 -0.36 0.07 -0.28 -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 -0.00 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 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.03 -0.01 0.00 -0.37 0.18 0.10 0.05 0.29 0.02 -0.15 -0.25 -0.18 0.02 0.01 -0.00 -0.14 -0.04 -0.06 -0.02 -0.10 0.12 -0.09 0.06 -0.01 -0.02 -0.01 -0.03 0.17 -0.27 -0.12 0.22 -0.05 0.47 -0.04 0.36 0.16 0.05 -0.02 0.01 -0.01 0.05 -0.03 0.00 0.02 -0.02 -0.06 0.02 0.02 0.04 0.05 -0.01 0.07 -0.04 0.31 0.04 -0.31 0.03 0.22 -0.24 -0.37 -0.07 -0.15 0.25 -0.06 -0.04 0.02 0.02 0.00 -0.00 -0.02 -0.00 0.00 0.49 0.02 0.14 -0.08 -0.27 -0.13 0.02 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.02 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.13 -0.07 -0.04 -0.02 -0.10 -0.01 0.06 0.09 0.06 0.01 0.00 -0.01 -0.05 -0.01 -0.01 -0.01 -0.02 0.09 -0.07 0.01 0.01 -0.00 -0.00 -0.01 0.03 -0.05 -0.02 0.04 -0.01 0.10 -0.02 0.08 0.03 0.03 0.02 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.08 -0.00 0.07 -0.01 -0.09 0.11 0.15 0.05 0.03 -0.06 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.06 -0.01 0.00 -0.20 -0.00 -0.06 0.04 0.06 0.03 0.04 -0.00 -0.00 0.01 0.01 0.00 0.03 -0.00 0.00 -0.03 -0.01 0.00 -0.04 0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 0.01 -0.02 -0.00 0.05 -0.01 -0.00 0.03 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.04 -0.00 -0.02 0.40 -0.19 0.12 0.01 -0.13 0.02 0.24 0.36 0.20 0.04 0.02 -0.03 -0.28 -0.06 0.03 -0.06 -0.19 0.33 -0.24 -0.01 0.06 -0.02 -0.00 -0.01 0.10 -0.12 -0.09 0.12 -0.02 0.20 0.02 0.16 0.08 -0.19 0.29 -0.19 0.04 0.01 -0.00 -0.02 0.03 -0.02 -0.02 -0.01 0.01 -0.08 0.04 -0.02 0.04 0.01 0.09 0.03 -0.11 -0.00 0.06 -0.04 -0.12 -0.11 -0.15 0.22 0.24 -0.10 0.07 -0.06 -0.01 0.01 0.01 -0.07 0.04 0.15 0.02 0.03 0.03 -0.23 -0.08 0.01 -0.06 -0.01 -0.00 0.04 0.00 -0.02 0.03 -0.00 -0.06 0.02 0.00 0.05 0.01 0.00 0.01 0.01 -0.00 0.03 -0.12 0.08 -0.13 0.02 -0.03 0.12 -0.03 0.03 0.00 0.05 -0.00 0.05 0.02 -0.01 -0.01 0.00 0.00 0.04 -0.03 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.02 0.08 -0.03 0.21 0.05 0.13 0.04 0.11 0.14 0.04 0.00 0.00 0.01 -0.07 -0.02 -0.04 -0.00 -0.07 -0.01 0.03 0.04 -0.03 0.04 -0.02 -0.01 -0.17 0.26 0.10 -0.41 -0.06 0.10 -0.14 0.17 0.07 -0.00 -0.02 0.01 -0.00 -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 0.01 -0.01 -0.02 0.00 0.03 -0.04 -0.05 -0.00 0.03 -0.05 -0.00 0.02 -0.01 -0.00 0.00 -0.00 0.02 0.01 -0.00 0.07 -0.00 0.02 -0.01 0.05 0.02 -0.02 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -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 -0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.03 -0.02 0.11 -0.07 0.14 -0.07 0.11 0.06 -0.14 0.01 0.00 0.02 -0.14 -0.06 -0.18 -0.00 -0.15 -0.02 0.04 0.16 -0.10 -0.03 -0.03 0.03 0.13 0.42 -0.44 -0.25 -0.02 -0.07 0.53 0.16 0.13 0.02 0.01 -0.01 -0.00 0.03 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.00 0.01 0.02 -0.01 0.01 -0.00 -0.03 0.01 0.03 -0.00 -0.05 0.06 0.09 0.00 -0.05 0.08 -0.02 -0.03 0.01 0.00 0.00 0.00 -0.03 -0.01 0.00 -0.11 -0.00 -0.04 0.01 -0.09 -0.04 0.03 0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.03 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.02 -0.01 0.01 0.03 -0.04 -0.16 0.08 -0.21 0.30 -0.35 0.29 -0.36 -0.19 0.45 -0.01 0.00 -0.00 0.04 0.02 0.08 0.00 0.02 -0.04 0.04 -0.07 0.03 -0.01 -0.02 0.00 0.04 0.20 -0.18 -0.18 -0.03 0.07 0.19 0.17 0.10 -0.05 -0.00 0.00 0.01 -0.09 0.05 -0.01 0.03 -0.02 -0.04 0.01 0.01 -0.04 -0.07 0.03 -0.04 0.01 0.11 -0.01 -0.11 0.00 0.17 -0.19 -0.29 0.04 0.21 -0.32 0.07 0.07 -0.04 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.36 0.01 0.11 0.03 0.36 0.17 -0.03 0.00 -0.00 0.02 -0.01 0.00 0.01 0.01 0.00 0.01 -0.03 0.00 0.01 0.02 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.02 -0.01 0.00 -0.03 0.01 0.00 0.01 0.00 -0.00 -0.02 0.02 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.04 -0.00 0.01 0.02 0.23 -0.15 0.22 -0.13 0.02 0.34 0.01 0.01 -0.01 -0.07 0.00 0.09 -0.01 -0.06 0.05 -0.03 -0.07 0.05 -0.01 0.01 0.00 0.07 -0.11 -0.04 0.17 0.02 -0.02 0.04 -0.04 -0.02 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 -0.01 0.00 0.00 0.00 0.02 0.00 -0.02 0.00 0.02 -0.02 -0.03 0.03 0.05 -0.08 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.00 0.00 0.04 0.00 0.01 0.03 0.08 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 0.06 -0.03 -0.01 -0.14 0.06 -0.13 0.11 0.04 -0.17 -0.02 0.00 -0.04 0.31 0.16 0.51 0.02 0.26 -0.08 0.03 -0.47 0.26 -0.00 -0.02 -0.01 0.04 0.09 -0.13 -0.10 -0.04 0.18 0.10 0.23 0.11 -0.04 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.02 -0.00 -0.00 0.03 0.04 -0.01 -0.02 0.00 -0.07 -0.01 0.07 -0.01 -0.05 0.07 0.09 -0.20 -0.21 0.35 0.01 0.02 -0.01 -0.03 -0.00 0.00 0.11 0.01 -0.00 -0.12 -0.00 -0.04 -0.19 -0.37 -0.18 -0.12 0.01 -0.00 0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.05 -0.09 -0.00 0.06 0.08 0.01 0.02 0.00 0.00 0.01 -0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.04 0.00 0.01 -0.01 0.00 -0.00 -0.04 0.05 0.01 -0.03 -0.04 -0.02 -0.02 -0.01 -0.03 0.09 -0.03 0.22 0.14 0.06 0.13 0.06 0.15 0.18 0.00 0.01 -0.03 0.02 0.05 0.26 0.00 0.01 -0.02 0.03 -0.23 0.12 -0.03 0.01 0.01 0.16 -0.13 -0.16 0.27 0.03 -0.06 0.19 -0.05 -0.01 -0.03 0.06 -0.04 0.04 -0.15 0.09 -0.03 0.03 -0.02 0.00 -0.01 0.00 0.02 0.01 -0.00 -0.07 0.03 -0.05 -0.03 0.04 -0.02 0.01 0.04 -0.03 -0.30 -0.16 0.31 0.07 0.10 -0.05 0.01 0.02 -0.01 -0.08 -0.05 0.02 -0.00 0.01 -0.01 -0.30 -0.32 -0.17 0.04 0.15 -0.01 -0.06 -0.06 -0.00 0.10 -0.03 0.00 0.12 -0.00 -0.00 -0.13 -0.14 -0.01 -0.08 0.06 -0.00 0.01 -0.02 0.02 -0.02 0.00 -0.00 0.02 -0.01 0.01 -0.14 -0.20 -0.01 0.06 -0.14 -0.01 0.03 -0.01 -0.00 -0.03 0.01 0.01 0.04 0.06 0.02 0.02 0.02 0.03 -0.06 0.02 -0.27 -0.18 -0.11 -0.16 -0.06 -0.15 -0.19 0.00 -0.00 0.00 0.01 -0.01 -0.07 -0.01 0.01 0.08 -0.07 0.04 -0.01 -0.02 0.01 0.01 0.09 -0.05 -0.11 0.12 0.03 -0.05 0.14 -0.06 -0.02 0.01 -0.10 0.06 -0.00 -0.16 0.09 -0.01 0.02 -0.01 0.01 0.00 0.00 0.03 -0.00 0.01 -0.09 0.03 -0.07 -0.04 0.06 -0.02 0.01 0.03 -0.01 -0.33 -0.16 0.31 0.03 0.16 -0.09 0.03 0.01 -0.00 -0.07 0.07 -0.03 -0.02 0.00 -0.00 -0.36 -0.32 -0.17 0.06 -0.15 0.01 0.07 0.05 -0.00 -0.05 0.04 -0.00 -0.15 0.11 0.00 0.06 0.03 0.00 0.01 -0.05 -0.00 0.00 0.03 -0.02 0.03 0.01 -0.00 -0.03 -0.01 0.01 0.07 0.13 0.00 -0.10 0.16 0.01 0.00 0.01 -0.00 0.06 -0.06 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.07 0.06 0.02 0.05 0.01 0.04 0.06 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.03 -0.01 -0.01 -0.16 0.11 0.17 -0.26 -0.05 0.12 -0.22 0.12 0.04 0.01 0.02 -0.01 0.02 -0.06 0.03 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.05 -0.01 0.02 0.03 0.03 -0.02 0.02 0.01 -0.01 -0.14 -0.02 0.01 0.01 0.00 0.00 -0.05 -0.02 -0.01 0.22 0.09 0.00 -0.09 0.07 0.00 -0.07 -0.14 -0.00 -0.07 -0.23 0.00 -0.14 0.23 0.00 0.34 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.41 0.11 -0.00 0.43 -0.19 -0.01 -0.11 -0.01 0.02 -0.03 0.08 0.00 -0.00 -0.05 -0.00 0.00 -0.00 0.00 0.01 0.00 0.09 0.01 0.06 -0.00 0.03 0.02 -0.04 -0.02 -0.01 0.01 0.14 0.01 -0.12 0.03 0.08 -0.23 0.19 0.10 -0.11 0.00 -0.01 0.01 0.04 0.01 -0.06 0.10 0.01 -0.10 0.08 -0.06 -0.02 0.00 0.02 -0.02 0.13 0.00 0.01 -0.03 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.01 0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.06 -0.00 -0.00 -0.01 -0.05 0.02 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.42 -0.01 0.13 -0.25 -0.00 -0.17 -0.24 -0.00 0.06 0.34 0.00 0.02 0.24 0.01 -0.06 -0.38 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.29 0.01 0.00 -0.35 -0.03 -0.00 0.01 0.02 -0.01 0.01 -0.06 -0.00 -0.01 -0.03 -0.00 -0.01 -0.01 -0.02 0.03 -0.02 0.08 0.08 0.02 0.06 0.02 0.08 0.09 0.01 0.00 -0.00 -0.05 -0.00 0.06 0.01 -0.01 0.01 -0.04 -0.03 0.04 0.02 -0.00 -0.01 -0.06 0.04 0.09 -0.11 -0.03 0.07 -0.10 0.07 0.01 -0.01 -0.01 0.01 -0.08 -0.02 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 0.01 -0.00 0.05 0.01 -0.00 -0.05 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.26 -0.05 0.00 -0.35 0.14 -0.00 -0.35 -0.10 -0.01 0.31 0.03 -0.00 0.35 -0.04 0.01 -0.21 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.27 0.28 0.01 0.35 -0.22 -0.00 0.03 0.00 -0.00 -0.02 -0.01 0.01 -0.02 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.02 0.04 0.06 0.02 0.06 0.00 0.04 0.07 0.01 0.01 -0.01 -0.07 0.00 0.07 0.00 -0.04 0.06 -0.05 -0.06 0.04 -0.02 0.01 0.00 0.04 -0.04 -0.05 0.04 0.03 -0.01 0.08 -0.03 -0.01 0.07 -0.05 0.03 0.78 0.06 0.00 -0.16 0.03 -0.03 -0.01 -0.01 0.00 0.00 -0.02 0.02 0.17 0.05 0.06 0.02 -0.03 -0.05 0.01 0.00 -0.04 0.06 -0.00 -0.04 -0.12 0.03 -0.03 -0.47 -0.08 0.03 -0.03 0.04 -0.02 0.04 0.03 -0.00 -0.00 -0.00 0.03 0.06 -0.12 0.01 -0.07 0.07 0.00 -0.02 0.04 -0.00 0.02 -0.05 -0.00 0.04 -0.05 -0.00 -0.02 0.06 0.00 -0.01 0.02 -0.01 0.02 -0.00 0.00 -0.02 0.02 -0.02 -0.01 0.06 0.00 0.10 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.02 0.02 0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.06 0.04 0.75 0.42 -0.22 -0.41 0.14 -0.13 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.11 0.01 -0.02 0.36 0.21 -0.11 0.80 -0.30 0.27 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.16 -0.35 0.04 0.51 -0.03 -0.50 -0.39 0.37 -0.13 -0.00 0.00 0.01 -0.02 0.07 -0.01 0.06 -0.00 0.01 -0.03 -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 0.01 -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 0.01 -0.03 -0.05 0.01 0.08 -0.00 -0.08 -0.06 0.06 -0.02 0.01 0.00 -0.05 0.11 -0.42 0.05 -0.36 0.02 -0.08 0.16 0.39 0.62 -0.01 -0.00 0.01 0.10 0.04 0.07 0.01 -0.12 -0.01 0.01 0.10 -0.21 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.02 -0.00 -0.02 -0.02 0.01 -0.01 0.00 0.00 -0.01 0.03 -0.14 0.02 -0.11 0.01 -0.02 0.05 0.12 0.18 0.03 0.01 -0.04 -0.33 -0.14 -0.25 -0.03 0.39 0.04 -0.02 -0.33 0.68 0.00 -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 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.01 -0.02 0.20 0.67 0.57 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.02 0.08 0.11 -0.39 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.07 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.41 -0.08 0.12 0.15 0.88 -0.05 -0.01 -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 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.05 -0.03 -0.04 -0.00 0.00 0.01 0.01 -0.05 -0.01 -0.01 -0.00 -0.04 -0.43 -0.09 -0.26 -0.01 -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.17 0.43 0.71 0.02 0.02 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.09 0.03 0.02 0.05 0.14 -0.01 0.45 -0.01 -0.45 0.51 -0.51 0.19 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.02 -0.08 -0.04 -0.20 0.70 -0.10 0.33 -0.04 0.06 0.13 0.30 0.48 0.00 -0.00 0.01 -0.04 -0.02 -0.03 -0.00 0.05 0.01 0.00 0.02 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.06 -0.01 0.02 -0.00 0.00 0.01 0.03 0.05 -0.04 0.04 -0.07 0.48 0.23 0.35 0.02 -0.47 -0.06 -0.02 -0.26 0.53 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.00 -0.09 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.18 -0.03 -0.10 0.09 0.29 0.23 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.18 -0.26 0.84 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.03 0.02 0.04 -0.00 0.00 0.01 -0.04 0.77 0.13 0.04 0.04 0.31 -0.41 -0.08 -0.23 -0.01 -0.05 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.05 -0.12 -0.19 0.02 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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.03 -0.04 -0.03 -0.06 0.00 -0.00 -0.01 -0.02 0.47 0.08 0.03 0.03 0.25 0.59 0.11 0.33 0.02 0.07 0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.10 0.23 0.38 -0.02 -0.04 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.08 -0.03 0.46 0.20 0.35 -0.05 0.77 0.08 -0.00 0.01 -0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.38 0.82 -0.09 0.14 -0.02 -0.14 -0.25 0.23 -0.08 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 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.08 0.04 -0.03 0.12 -0.47 0.05 0.84 -0.06 0.17 0.02 0.07 0.10 -0.00 -0.00 -0.00 0.02 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 0.04 -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 -0.50 0.86 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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.46 0.88 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 6 6 6 6 6 1 1 1 1 7 7 7 1 1 6 6 6 6 6 6 5 1 1 1 1 8 8 8 6 1 1 1 6 1 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 6 6 6 6 6 1 1 1 1 7 7 7 1 1 6 6 6 6 6 6 5 1 1 1 1 8 8 8 6 1 1 1 6 1 1 1 6 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 14.00307 14.00307 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 11.00931 1.00783 1.00783 1.00783 1.00783 15.99491 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 288.15195 1.0 2.0E-5 -0.00229 1.0E-5 0.99991 0.01365 0.00229 -0.01365 0.9999 asymmetric 1 0.03188 0.00756 0.00648 0.66433 0.15753 0.13501 859439.6 40.54 54.21 70.21 102.62 134.65 155.83 186.05 187.50 203.82 224.87 239.68 271.11 282.46 323.58 336.01 356.46 364.23 398.83 420.06 439.10 466.28 484.48 530.99 554.57 634.47 705.82 734.06 768.64 815.09 871.34 880.49 919.11 952.43 958.01 977.36 1019.25 1040.29 1104.93 1144.06 1149.19 1161.35 1234.27 1254.87 1296.58 1306.08 1310.21 1334.91 1408.10 1441.30 1479.77 1555.52 1568.03 1580.78 1601.08 1634.22 1671.51 1696.11 1698.46 1710.12 1713.07 1715.71 1731.19 1741.69 1753.96 1769.67 1774.86 1777.57 1812.72 1863.79 1876.96 1891.15 1924.45 1942.96 1960.68 2027.78 2095.59 2100.83 2102.07 2110.03 2114.46 2123.42 2125.92 2131.56 2142.95 2147.56 2152.07 2155.78 2167.22 2174.08 2199.09 2204.81 2259.48 2410.65 2452.16 2470.95 3684.56 3835.15 4359.50 4360.96 4369.04 4413.97 4440.34 4457.46 4493.21 4505.48 4517.73 4522.94 4548.15 4560.76 4564.25 4568.28 4571.43 4695.85 4699.75 0.327343 0.347550 0.348495 0.277443 -958.291191 -958.270984 -958.270040 -958.341092 218.091 76.024 149.542 0.000 0.000 1.377 0.889 2.981 42.873 0.889 2.981 34.386 216.314 70.062 70.906 1 0.593 1.984 5.954 2 0.594 1.982 5.378 3 0.595 1.978 4.865 4 0.598 1.968 4.116 5 0.603 1.954 3.584 6 0.606 1.943 3.299 7 0.612 1.924 2.956 8 0.612 1.923 2.941 9 0.615 1.912 2.781 10 0.620 1.896 2.594 11 0.624 1.884 2.474 12 0.633 1.856 2.243 13 0.636 1.845 2.167 14 0.650 1.803 1.919 15 0.654 1.790 1.852 16 0.661 1.766 1.746 17 0.664 1.757 1.709 18 0.678 1.716 1.551 19 0.687 1.689 1.463 20 0.696 1.664 1.388 21 0.709 1.627 1.289 22 0.717 1.602 1.228 23 0.741 1.536 1.084 24 0.754 1.501 1.018 25 0.801 1.381 0.824 26 0.846 1.271 0.682 27 0.865 1.227 0.633 28 0.889 1.174 0.578 29 0.922 1.104 0.511 30 0.964 1.020 0.440 31 0.971 1.007 0.430 0.896859e+23 22.952724 52.850600 0.319447e+08 7.504399 17.279518 0.200000e+01 0.301030 0.693147 0.192259e+09 8.283886 19.074353 0.730144e+07 6.863409 15.803582 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.9645 2.4735 -1.9174 3.6951 -79.5306 -128.6378 -125.7632 -6.0993 1.2684 10.2001 31.7799 -17.3273 -14.4527 -6.0993 1.2684 10.2001 -60.3296 40.1569 -15.0233 40.7637 25.5772 -41.2354 21.3791 17.4772 -9.5345 7.7560 -6885.1832 -1882.1615 -492.1850 -102.9213 -4.3252 -111.0633 108.9657 44.5052 45.6303 -1586.4708 -1404.2003 -404.7009 68.8182 50.6429 -19.5092 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -958.6185345 0.758983 0. 0.750059 3.838E-9 8.617E-6 0.3273433 0.3475505 -958.2709841 -958.2700399 -958.341092 23.6308017,-18.2995903,-5.3312114,-2.9466854,2.8553557,-4.5945073 C01 [X(C14H19B1N3O3)] 0.8272486 -1.1672766 -0.258047 0.6137759 -0.0106445 0.0226638 0.0123393 0.7505593 0.1407256 -0.08063 0.0657698 0.0078364 0.5865873 -0.1365667 -0.0069344 0.2026863 0.5964803 0.0700021 -0.0473939 0.0879824 0.0896891 0.0041888 0.0080298 -0.0045546 0.0554756 0.0371989 -0.0159222 0.0499628 -0.0374783 0.1008373 0.1033987 -0.004415 -0.0169939 0.0352249 0.0290317 0.0048161 0.0273124 -0.0015749 0.1005354 0.7622662 0.0321214 -0.0307009 0.1908687 0.1675481 -0.0261549 0.0229968 -0.047934 0.2581557 0.0161382 -0.0061987 -0.0002333 0.0160164 -0.0298023 0.030905 -0.0329733 0.0743792 0.0509675 -0.0446674 0.0373187 0.009016 0.0039669 0.0500984 -0.0184061 0.0228807 -0.0595357 -0.0529949 -0.11317 0.0144804 0.0312461 -0.0024737 0.0484497 -0.0033378 0.0836489 -0.0051279 0.0479572 -0.0834698 0.0196882 0.0012773 -0.0632874 0.0150774 0.0499004 0.0717423 0.0743519 -0.0658777 -1.1491039 0.4397883 0.0694624 -0.0030724 -0.7050189 -0.0811146 -0.0520026 -0.0605656 -0.0940903 -0.5427616 0.109548 0.0084647 -0.5734939 -0.5398031 -0.0836507 0.0675765 0.0023197 -0.2032685 -1.1359277 -0.7720121 -0.1822541 0.1371329 -0.3628501 -0.0065802 -0.0168594 -0.0715942 -0.02429 0.0529965 -0.0048792 -0.0052041 0.0047293 0.0151151 0.0098979 -0.0707224 0.0204122 -0.0877523 0.0057807 0.036884 0.019679 -0.0690635 0.0004589 -0.0425008 -0.0482977 -0.0561085 -0.0069735 1.4889303 0.4311412 0.1477712 0.0918431 0.1846265 -0.1258204 0.0094663 -0.1013635 0.0987409 -0.4965148 0.0990461 -0.1227947 0.1475943 -0.1092844 0.0583778 -0.0355071 0.0770426 -0.1889596 -0.5236133 -0.2052999 0.0200636 -0.1960203 -0.2086581 0.0501404 -0.0035624 0.0616203 -0.1932516 0.6590339 -0.4368426 0.209571 -0.9140438 0.9657685 -0.5664494 0.3264088 -0.336389 0.3013637 0.7280325 0.327113 -0.1873736 0.5981515 0.7998628 -0.5546194 -0.17516 -0.3511329 0.2660659 1.1471169 0.2291542 0.154521 0.1672564 -0.1846358 0.1082763 -0.1049362 -0.0209479 -0.0484337 0.3593715 0.0390636 -0.0115736 0.0880396 0.1439512 0.066482 0.0072511 0.0911868 -0.1128648 -0.3026833 -0.1976858 -0.0291864 -0.0913701 -0.1832735 -0.0293181 -0.0056887 -0.0315123 -0.0471236 -0.2390313 0.1241483 0.0303694 0.0270907 -0.1202059 -0.0214714 -0.0156518 -0.0366207 -0.0488335 0.1177783 0.0345771 -0.0241024 0.0345696 0.065319 0.03935 -0.0502092 0.017822 0.111909 0.1079492 -0.0337486 0.0212926 -0.0166779 0.0488349 0.0364252 0.0551834 0.0217901 0.1227386 -1.7081686 -0.4258913 -0.2904994 -0.4385284 -0.6136619 -0.0977671 -0.1644053 -0.0568028 -0.5069621 -1.1854386 0.5764441 -0.5325378 0.73433 -0.9828917 0.4809464 -0.5635706 0.3190169 -0.6170623 -0.9237467 -0.4241983 0.4385888 -0.4905742 -0.8567863 0.37656 0.4704478 0.4084155 -0.9426982 0.4992021 0.1685879 -0.3024844 -0.0283992 0.2180146 0.045943 -0.3832779 -0.2593739 0.8539855 0.0201751 -0.0806427 0.0585755 -0.0977177 -0.0854444 0.0725885 0.0538303 0.036375 0.0135631 -0.0445083 -0.027787 -0.1064464 -0.0068547 0.0636109 -0.0726935 0.0083157 0.0253686 -0.1051514 -0.0476453 0.0317683 0.0412289 0.1089683 0.014202 -0.0480028 -0.0103908 0.0363108 0.0243149 0.5730687 0.2014461 0.1575013 0.5228656 0.49343 0.2184008 0.3594136 0.1954692 0.4969176 0.0772807 0.045912 0.0124991 -0.0643255 -0.0731035 -0.0097895 -0.0096135 0.0454711 0.046729 -0.1690583 -0.0309212 -0.0215761 0.0130023 0.0562064 -0.0210464 0.0014114 -0.0288322 0.057352 0.0278388 -0.024277 0.0780992 -0.0649535 0.0240891 0.0465801 -0.0772486 -0.0188761 -0.1549512 0.9120411 -0.3226545 0.4159741 -0.0205408 0.2861005 -0.0145819 0.3872778 -0.1428212 0.5282044 -0.1284663 0.0485417 -0.0166532 -0.0577963 0.0969289 -0.0213948 0.0597325 0.0049159 -0.0232604 0.0154082 0.0020087 -0.0314125 0.0591998 -0.0879577 0.1127611 -0.0753734 0.101259 0.0036435 -0.0403844 0.0878536 -0.024349 -0.0521583 -0.0275857 -0.1584564 -0.0613843 -0.0426873 -0.056707 279.8927206|10.1463827|205.5576854|12.8111665|-14.727707|133.5549669 -0.000007053 0.000000871 -0.000019293 -0.000000911 0.000003126 0.000002370 0.000000876 0.000000499 -0.000001294 -0.000000249 0.000000104 0.000000340 0.000000255 0.000000959 -0.000002640 0.000000574 0.000000530 -0.000000058 -0.000000571 0.000000213 -0.000000162 -0.000000084 0.000000811 -0.000000072 -0.000000624 0.000001318 0.000000538 0.000002546 -0.000001019 0.000007023 0.000002295 -0.000004237 -0.000001214 -0.000006251 0.000006844 0.000011727 0.000000269 0.000000100 -0.000000166 -0.000000083 -0.000000236 0.000000546 0.000009584 0.000011225 -0.000006926 0.000006886 -0.000000607 0.000020738 -0.000003766 -0.000016394 -0.000000226 -0.000025393 -0.000002990 -0.000031980 0.000019084 -0.000014845 -0.000009157 -0.000009506 0.000018841 -0.000007904 0.000001145 -0.000005636 0.000020073 -0.000000016 0.000001097 -0.000005298 -0.000001591 0.000003011 -0.000005652 -0.000002102 0.000000485 -0.000000131 0.000001690 0.000001078 -0.000001079 -0.000000520 0.000021265 -0.000001969 -0.000008918 -0.000027455 0.000009600 0.000005882 0.000022900 0.000012307 -0.000004190 -0.000008660 -0.000002644 -0.000000037 -0.000001415 0.000005051 -0.000001186 -0.000003443 -0.000004615 0.000003571 -0.000004638 -0.000000277 0.000006071 -0.000018174 -0.000000544 -0.000008612 0.000006590 -0.000005241 0.000003695 0.000001840 0.000001359 -0.000004527 -0.000004664 0.000002288 0.000016633 0.000009147 0.000017367 0.000000404 -0.000008370 0.000003207 -0.000000416 0.000001326 -0.000006442 0.000005146 0.000008604 0.000000449 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:.8582,1.0538,.0905;1.9401,-.8919,-.1074;3.2674,-1.5723,-.1892;4.2147,-.4629,.3343;3.473,.8779,.1139;3.3073,-2.4951,.4035;3.4823,-1.8401,-1.2359;5.1946,-.477,-.1598;3.7615,1.38,-.8245;2.097,.4432,.0453;.6963,-1.2372,-.1766;.0162,-.0457,-.0733;4.387,-.6079,1.4109;3.6181,1.5925,.9359;-1.3932,-.0761,-.1284;-2.1122,.9894,-.6588;-2.061,-1.2128,.3385;-3.5098,.9451,-.7231;-3.4463,-1.2579,.2789;-4.1955,-.1894,-.2528;.6345,2.5211,.3424;1.6332,3.2002,.4513;-.4607,3.0061,.4577;-1.5124,-2.0583,.7495;-1.6141,1.8727,-1.0521;-5.5596,-.2312,-.254;-4.0993,2.0519,-1.222;-4.0886,-2.3623,.7589;-4.742,-2.1802,1.9984;-5.1867,-3.1459,2.2713;-4.0233,-1.8818,2.7809;-5.5356,-1.4184,1.9299;-6.1539,-1.2058,-1.0882;-5.868,-2.2246,-.786;-7.2408,-1.0849,-.9938;-5.8654,-1.0517,-2.1428;-5.2981,1.9797,-1.9565;-6.1763,1.8631,-1.3069;-5.3748,2.925,-2.51;-5.2749,1.1494,-2.6832; Gaussian 16 19-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 114 C1[X(C14H19BN3O3)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:.8582,1.0538,.0905;1.9401,-.8919,-.1074;3.2674,-1.5723,-.1892;4.2147,-.4629,.3343;3.473,.8779,.1139;3.3073,-2.4951,.4035;3.4823,-1.8401,-1.2359;5.1946,-.477,-.1598;3.7615,1.38,-.8245;2.097,.4432,.0453;.6963,-1.2372,-.1766;.0162,-.0457,-.0733;4.387,-.6079,1.4109;3.6181,1.5925,.9359;-1.3932,-.0761,-.1284;-2.1122,.9894,-.6588;-2.061,-1.2128,.3385;-3.5098,.9451,-.7231;-3.4463,-1.2579,.2789;-4.1955,-.1894,-.2528;.6345,2.5211,.3424;1.6332,3.2002,.4513;-.4607,3.0061,.4577;-1.5124,-2.0583,.7495;-1.6141,1.8727,-1.0521;-5.5596,-.2312,-.254;-4.0993,2.0519,-1.222;-4.0886,-2.3623,.7589;-4.742,-2.1802,1.9984;-5.1867,-3.1459,2.2713;-4.0233,-1.8818,2.7809;-5.5356,-1.4184,1.9299;-6.1539,-1.2058,-1.0882;-5.868,-2.2246,-.786;-7.2408,-1.0849,-.9938;-5.8654,-1.0517,-2.1428;-5.2981,1.9797,-1.9565;-6.1763,1.8631,-1.3069;-5.3748,2.925,-2.51;-5.2749,1.1494,-2.6832; chk=tay_8_rad.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 12 12 12 12 12 1 1 1 1 14 14 14 1 1 12 12 12 12 12 12 11 1 1 1 1 16 16 16 12 1 1 1 12 1 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 11.0093053 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 1 1 1 2 2 2 1 1 0 0 0 0 0 0 3 1 1 1 1 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 4.5500000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 2.7500000 1.0000000 1.0000000 1.0000000 1.0000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "tay_8_rad.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1041 A 917 A 917 1394 1041 77 76 1675.9825667152 40 40 40 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 -0.0296500688 0.000000 2.235037 0.000000 3.574707 1.493716 0.000000 3.691336 2.356474 1.549927 0.000000 2.620817 2.351861 2.477506 1.548114 0.000000 4.323225 2.168020 1.097403 2.226616 3.389491 0.000000 4.125442 2.133220 1.101565 2.213231 3.034752 1.773995 0.000000 4.605404 3.281216 2.216942 1.097419 2.207810 2.819878 2.438880 0.000000 3.061470 2.998844 3.060038 2.223603 1.102633 4.090248 3.258215 2.437999 0.000000 1.381818 1.352932 2.342432 2.321503 1.444717 3.197897 2.962023 3.237855 2.098706 0.000000 2.312137 1.292707 2.592845 3.638661 3.502630 2.955711 3.040911 4.562093 4.082228 2.198814 0.000000 1.394530 2.102132 3.593663 4.238911 3.583040 4.130216 4.072498 5.197070 4.077278 2.140787 1.375834 0.000000 4.117821 2.893575 2.178010 1.099914 2.173768 2.396202 3.056466 1.770973 3.056118 2.865939 4.066561 4.650043 0.000000 2.936256 3.174337 3.377137 2.223260 1.098776 4.133827 4.064211 2.822881 1.778953 2.104239 4.216815 4.083627 2.378829 0.000000 2.528478 3.431746 4.895198 5.640241 4.964749 5.313105 5.301689 6.600000 5.401380 3.532848 2.390887 1.410720 6.005169 5.387889 0.000000 3.064167 4.501662 5.976864 6.567023 5.639537 6.530052 6.295801 7.469163 5.888980 4.302502 3.616358 2.438068 7.005305 5.978526 1.390560 0.000000 3.704148 4.038663 5.366480 6.320382 5.920072 5.519716 5.796536 7.309794 6.478919 4.485225 2.805104 2.417930 6.564438 6.362272 1.398656 2.418115 0.000000 4.444530 5.784116 7.249353 7.922741 7.033182 7.718674 7.543851 8.837793 7.285018 5.681464 4.769984 3.719753 8.326182 7.347006 2.424218 1.399820 2.807661 0.000000 4.889614 5.412668 6.737321 7.702399 7.243379 6.867163 7.116079 8.687197 7.754234 5.803157 4.167636 3.685409 7.941292 7.646053 2.403758 2.776624 1.387345 2.421007 0.000000 5.215651 6.177394 7.590151 8.435108 7.751096 7.876475 7.914457 9.394904 8.130349 6.331197 5.003305 4.217888 8.752198 8.101813 2.807348 2.427839 2.439899 1.406527 1.409131 0.000000 1.505537 3.681831 4.896003 4.660765 3.287769 5.684189 5.442492 5.480413 3.527286 2.558323 3.794473 2.672773 5.001356 3.180589 3.328448 3.300445 4.605232 4.560128 5.562218 5.570433 0.000000 2.310407 4.141475 5.085037 4.482899 2.981869 5.936412 5.627612 5.155403 3.077406 2.825083 4.578470 3.664140 4.796407 2.599797 4.497673 4.488672 5.756273 5.737238 6.760629 6.779277 1.212613 0.000000 2.384561 4.612826 5.939632 5.823184 4.485722 6.668152 6.473099 6.670499 4.702701 3.644267 4.443714 3.134153 6.121258 4.343197 3.273055 2.835681 4.513813 3.865134 5.208415 4.966316 1.203350 2.102932 0.000000 3.967210 3.743592 4.895228 5.959660 5.820637 4.851821 5.379197 6.950586 6.489424 4.447567 2.531822 2.657819 6.110901 6.299570 2.171193 3.410527 1.088420 3.895998 2.145277 3.419994 5.074037 6.134755 5.180653 0.000000 2.844045 4.600875 6.036667 6.430576 5.312980 6.739175 6.308024 7.257751 5.402882 4.125515 3.971877 2.701093 6.944944 5.604096 2.167900 1.087656 3.413821 2.136031 3.863856 3.399215 2.724183 3.816745 2.212339 4.325371 0.000000 6.554249 7.530204 8.928502 9.794769 9.107904 9.174962 9.236222 10.757396 9.476481 7.692060 6.336744 5.581761 10.091962 9.432454 4.171212 3.679441 3.681709 2.409399 2.409163 1.364775 6.804249 8.000529 6.081538 4.552504 4.542079 0.000000 5.224566 6.810531 8.274643 8.824381 7.778368 8.841696 8.522211 9.690191 7.899454 6.525959 5.908380 4.759872 9.274877 8.026524 3.612132 2.322632 4.153139 1.349587 3.692418 2.443768 5.007620 6.081143 4.119594 5.241444 2.497466 2.877851 0.000000 6.048763 6.265633 7.458765 8.528402 8.251901 7.405655 7.846637 9.517142 8.839445 6.829485 5.003638 4.786285 8.679755 8.664010 3.644138 4.141314 2.368396 3.670231 1.364825 2.399328 6.806587 7.985971 6.486339 2.594118 5.228648 2.780593 4.838374 0.000000 6.742497 7.123560 8.324974 9.270497 8.966097 8.211876 8.843911 10.309933 9.641221 7.580837 5.932547 5.611459 9.282003 9.233293 4.490606 4.901365 3.298307 4.323482 2.342259 3.054510 7.331593 8.484460 6.899372 3.464837 5.959519 3.088755 5.356763 1.412945 0.000000 7.676812 7.844082 8.944300 9.966786 9.789588 8.721245 9.442214 10.991056 10.494598 8.419521 6.651654 6.494449 9.941614 10.087577 5.438113 5.927808 4.152365 5.339913 3.250090 4.011818 8.349973 9.491891 7.966862 4.122991 6.999641 3.874522 6.356326 2.026588 1.097597 0.000000 6.299579 6.699562 7.878470 8.710002 8.421629 7.730828 8.512865 9.777001 9.178261 7.095559 5.606823 5.275884 8.615776 8.594492 4.317671 4.871144 3.203615 4.531377 2.642388 3.478139 6.857661 7.952979 6.479280 3.234518 5.881572 3.780953 5.612786 2.079321 1.103622 1.791919 0.000000 7.097614 7.766243 9.055752 9.926158 9.472433 9.038078 9.566711 10.972244 10.092259 8.079246 6.580799 6.059663 9.969139 9.687301 4.816482 4.921286 3.827235 4.090059 2.667736 2.840920 7.490716 8.655060 6.891910 4.241361 5.924739 2.485878 4.903135 2.087130 1.102191 1.795141 1.796147 0.000000 7.460875 8.159244 9.471121 10.492062 9.922926 9.664439 9.658104 11.409664 10.250371 8.490044 6.910631 6.359645 10.849506 10.364287 4.986168 4.619380 4.334421 3.427942 3.033540 2.359326 7.875212 9.078667 7.248613 5.064298 5.485308 1.413865 3.853878 3.002412 3.531210 3.998174 4.468342 3.088081 0.000000 7.533786 7.950056 9.178048 10.296611 9.883849 9.256069 9.368964 11.217262 10.282075 8.440925 6.666067 6.314965 10.611510 10.369220 5.007264 4.944897 4.096539 3.951171 2.816566 2.687703 8.128816 9.339570 7.625332 4.621362 5.912226 2.086103 4.648321 2.360523 3.003780 3.265030 4.030316 2.852493 1.100360 0.000000 8.446531 9.225644 10.550197 11.549034 10.948337 10.733321 10.752347 12.478138 11.276277 9.518890 7.980521 7.388551 11.883386 11.349332 5.996795 5.542344 5.349952 4.256084 4.005968 3.259622 8.764094 9.959859 8.050639 6.066422 6.356957 2.025490 4.445312 3.826260 4.049294 4.373589 5.023549 3.401034 1.097710 1.796284 0.000000 7.391076 8.068138 9.353892 10.396728 9.799120 9.628398 9.424594 11.251047 10.016382 8.391799 6.852482 6.315662 10.859863 10.315353 5.001061 4.522714 4.544957 3.398739 3.429149 2.665406 7.822412 9.002091 7.241490 5.322363 5.274049 2.081911 3.687766 3.646192 4.436762 4.932621 5.322158 4.102465 1.104179 1.793449 1.792483 0.000000 6.553505 8.003619 9.439713 10.085080 9.079303 9.982343 9.602371 10.925224 9.149741 7.813833 7.032051 5.990840 10.575253 9.381592 4.776703 3.579766 5.092981 2.406148 4.348345 2.970398 6.385460 7.438475 5.502943 6.161136 3.794951 2.802630 1.407804 5.262093 5.766718 6.645177 6.243353 5.167936 3.410869 4.401209 3.753988 3.089652 0.000000 7.217542 8.654816 10.111121 10.773962 9.803040 10.576325 10.344418 11.665741 9.961253 8.502507 7.623797 6.596361 11.183705 10.051549 5.294129 4.207192 5.394852 2.879865 4.439353 3.040941 7.038528 8.115956 6.090055 6.431014 4.569400 2.423754 2.087354 5.145861 5.415693 6.234755 5.947231 4.653502 3.076757 4.132178 3.149814 3.048145 1.098579 0.000000 7.008142 8.593514 10.014884 10.560581 9.452951 10.641592 10.137835 11.349334 9.417998 8.277416 7.721774 6.619955 11.097086 9.722144 5.525489 4.221043 6.017984 3.254298 5.384482 4.022987 6.664097 7.612945 5.741208 7.097506 4.168369 3.883883 2.011926 6.347837 6.840182 7.729877 7.274945 6.213134 4.437562 5.452769 4.675421 4.023580 1.098038 1.793783 0.000000 6.731833 7.928301 9.305788 10.087484 9.188209 9.821602 9.365844 10.891375 9.228407 7.892258 6.901722 6.019515 10.639573 9.611365 4.805866 3.758472 5.003997 2.645552 4.232322 2.977280 6.779118 7.858296 6.040591 6.019049 4.072470 2.808563 2.081278 5.058416 5.769519 6.557779 6.372690 5.286056 2.977237 3.915953 3.422129 2.342130 1.103679 1.793406 1.786774 0.000000 C14H19BN3O3(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 0 268.97909999999996 AuxInfo=1/0/N:29,37,33,4,3,5,17,16,15,19,18,2,20,1,21,11,10,12,28,27,26/E:(1,2)(7,8)(10,11)(19,20)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.2/rA:40nC3C3CCCHHHHNN2NHHC3C3C3C3C3C3BHHHHOOOCHHHCHHHCHHH/rB:;s2;s3;s4;s3;s3;s4;s5;s1s2s5;s2;s1s11;s4;s5;s12;s15;s15;s16;s17;s18s19;s1;s21;s21;s17;s16;s20;s18;s19;s28;s29;s29;s29;s26;s33;s33;s33;s27;s37;s37;s37;/rC:-2.4115,-.9791,.5003;-3.4177,.7337,-.524;-4.7154,1.332,-.9588;-5.7274,.5253,-.1059;-5.016,-.7964,.2729;-4.7626,2.4143,-.7833;-4.8574,1.164,-2.0382;-6.6743,.3469,-.6312;-5.2621,-1.628,-.4081;-3.6254,-.4308,.1326;-2.1617,1.0176,-.6385;-1.5269,-.0385,-.0265;-5.9605,1.086,.8112;-5.2334,-1.126,1.2983;-.1166,-.0389,.0077;.5998,-1.2306,-.0079;.5568,1.1868,.0321;1.9994,-1.2218,.0116;1.9439,1.1982,.0546;2.6902,.003,.0412;-2.2497,-2.2274,1.3262;-3.274,-2.8031,1.6258;-1.1794,-2.632,1.6986;.0108,2.1284,.0368;.0992,-2.1951,-.0533;4.0525,.0347,.1171;2.5833,-2.4384,.0324;2.5899,2.3995,.102;3.1603,2.7206,1.3542;3.6175,3.7133,1.2531;2.386,2.7601,2.1396;3.9323,1.9904,1.6469;4.727,.5962,-.9914;4.4553,1.6525,-1.1368;5.8018,.5176,-.7827;4.4989,.038,-1.9164;3.8265,-2.6687,-.5868;4.6665,-2.3081,.0225;3.9071,-3.7562,-.715;3.8737,-2.1943,-1.5822; 0.6643294 0.1575279 0.1350137 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= 1023 1023 1023 1023 1023 MxSgAt= 40 MxSgA2= 40. 1 open 1 1 1 -959.170073708453 -959.290476238637 -0.120402530184 -959.662141953582 -0.371665714945 -959.662925338277 -0.000783384695 -959.662992305699 -0.000066967422 -959.663011635996 -0.000019330298 -959.663012664697 -0.000001028701 -959.663013041054 -0.000000376357 -959.663013127496 -0.000000086442 -959.663013165705 -0.000000038209 -959.663013178570 -0.000000012864 -959.663013180259 -0.000000001689 -959.663013180598 -0.000000000339 -959.663013180747 -0.000000000149 -959.663013180807 -0.000000000060 -959.663013180844 -0.000000000037 -959.663013181 16 0.7597 9.547211026733e+02 -5.588799936079e+03 1.998462903579e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570674312 LenY= 1569589590 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. 0.7597 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 C C C C C H H H H N N N H H C C C C C C B H H H H O O O C H H H C H H H C H H H 13 13 13 13 13 1 1 1 1 14 14 14 1 1 13 13 13 13 13 13 11 1 1 1 1 17 17 17 13 1 1 1 13 1 1 1 13 1 1 1 -0.02294 -0.00836 0.00073 -0.00050 -0.00439 -0.00083 -0.00141 0.00001 0.00288 0.01900 0.00862 0.03256 0.00007 0.00187 -0.00995 0.00330 0.00482 -0.00383 -0.00339 0.00328 0.01000 -0.00641 -0.00649 -0.00060 -0.00082 0.00198 -0.00031 -0.00108 -0.00125 -0.00000 0.00001 0.00002 0.00240 0.00000 -0.00000 0.00000 -0.00041 -0.00004 -0.00000 -0.00002 -25.78610 -9.39331 0.82015 -0.56748 -4.94016 -3.72000 -6.32186 0.03405 12.85343 6.13854 2.78575 10.52080 0.32821 8.34582 -11.19027 3.70971 5.41913 -4.30440 -3.81421 3.68899 14.34729 -28.65505 -28.99207 -2.67746 -3.67482 -1.19967 0.18792 0.65632 -1.40323 -0.01757 0.04935 0.08671 2.70244 0.00837 -0.02088 0.00666 -0.46622 -0.17139 -0.01548 -0.10448 -9.20112 -3.35177 0.29265 -0.20249 -1.76277 -1.32739 -2.25580 0.01215 4.58642 2.19038 0.99402 3.75408 0.11711 2.97799 -3.99297 1.32372 1.93368 -1.53592 -1.36101 1.31633 5.11947 -10.22484 -10.34509 -0.95539 -1.31127 -0.42807 0.06705 0.23419 -0.50071 -0.00627 0.01761 0.03094 0.96430 0.00299 -0.00745 0.00238 -0.16636 -0.06116 -0.00552 -0.03728 -8.60132 -3.13327 0.27357 -0.18929 -1.64786 -1.24086 -2.10875 0.01136 4.28744 2.04760 0.92922 3.50936 0.10948 2.78386 -3.73267 1.23743 1.80763 -1.43579 -1.27228 1.23052 4.78574 -9.55830 -9.67071 -0.89311 -1.22579 -0.40017 0.06268 0.21892 -0.46807 -0.00586 0.01646 0.02892 0.90144 0.00279 -0.00696 0.00222 -0.15551 -0.05717 -0.00516 -0.03485 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 -0.103407 0.031204 0.000694 0.002706 0.007529 0.000459 0.000424 0.001739 0.005322 -0.170024 -0.103653 -0.280319 0.001775 0.006747 0.026070 -0.022705 -0.018523 0.014292 0.013765 -0.022883 -0.126507 0.003115 0.007891 -0.000473 0.005883 -0.007092 0.006408 0.001687 0.000546 0.000254 0.000422 0.000391 0.001052 0.000363 0.000797 0.000626 0.000317 0.000609 0.000597 0.000622 -0.014287 0.007732 0.000958 -0.000584 -0.002816 0.000652 -0.000290 -0.000738 -0.002654 -0.053073 -0.020954 -0.067316 -0.000058 -0.003406 0.013394 -0.016019 -0.017936 0.009801 0.011213 -0.025564 0.005798 -0.000232 -0.007289 0.002950 -0.001008 -0.005010 0.007566 0.003365 0.000441 0.000082 0.000155 0.000019 -0.000837 0.000066 -0.000442 -0.000701 -0.000125 -0.000136 -0.000185 -0.000205 0.117693 -0.038936 -0.001652 -0.002123 -0.004712 -0.001111 -0.000133 -0.001001 -0.002668 0.223097 0.124608 0.347634 -0.001717 -0.003341 -0.039463 0.038724 0.036459 -0.024093 -0.024978 0.048447 0.120709 -0.002882 -0.000602 -0.002476 -0.004875 0.012102 -0.013974 -0.005052 -0.000986 -0.000336 -0.000577 -0.000410 -0.000214 -0.000429 -0.000355 0.000075 -0.000192 -0.000473 -0.000412 -0.000417 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 -0.002247 0.002367 -0.002246 -0.003059 0.000059 -0.001679 -0.001143 -0.001074 0.001523 -0.008089 -0.003853 0.001771 -0.002224 -0.000258 0.001812 0.001747 0.004710 0.000403 0.000607 0.000595 -0.021101 0.018484 -0.015825 0.001138 0.001727 0.003224 -0.001400 0.001273 0.000369 0.000417 0.000782 0.000629 0.001243 0.000598 0.000232 0.000166 -0.000185 -0.000352 -0.000385 -0.000319 -0.010146 0.003975 0.001470 0.001323 0.000711 0.000659 0.001597 0.000887 0.002882 -0.008046 -0.012421 -0.003253 -0.000208 -0.001916 0.000037 -0.004112 -0.006112 -0.000334 0.001315 0.000030 -0.027453 -0.012531 0.013847 -0.000517 -0.001939 0.006826 -0.006157 0.003225 -0.000535 0.000064 0.000454 0.000136 -0.001615 -0.000289 -0.000235 -0.000679 -0.000237 -0.000107 -0.000220 -0.000409 0.123964 -0.040806 -0.001711 -0.000689 -0.001388 -0.000840 -0.001564 -0.000297 0.000018 0.217508 0.143518 0.358846 0.000147 -0.000417 -0.006551 -0.026431 -0.013629 0.000921 0.002109 0.001933 0.171180 0.003050 0.003381 -0.000394 0.001799 0.007902 0.000550 0.001552 -0.000264 0.000068 0.000323 0.000335 -0.001059 -0.000386 -0.000066 -0.000013 0.000033 0.000012 0.000071 0.000228 0.9781 -0.1594 0.1337 0.2054 0.8427 -0.4977 -0.0333 0.5142 0.857 -0.1044 -0.088 0.1925 -14.013 -11.814 25.827 -5.0 -4.216 9.216 -4.674 -3.941 8.615 1 C 13 -0.0491 0.5012 0.8639 -0.6101 0.6698 -0.4233 0.7908 0.5478 -0.2729 -0.0628 0.0314 0.0315 -8.432 4.209 4.223 -3.009 1.502 1.507 -2.813 1.404 1.409 2 C 13 -0.1922 0.3271 0.9252 0.7511 0.6558 -0.0758 -0.6316 0.6804 -0.3717 -0.0026 -0.0014 0.004 -0.344 -0.19 0.534 -0.123 -0.068 0.19 -0.115 -0.063 0.178 3 C 13 -0.4668 -0.4735 0.7469 0.2742 0.7255 0.6313 0.8408 -0.4995 0.2088 -0.0025 -0.0023 0.0049 -0.337 -0.314 0.651 -0.12 -0.112 0.232 -0.112 -0.105 0.217 4 C 13 -0.0505 0.4626 0.8852 0.0287 0.8866 -0.4617 0.9983 -0.0021 0.0581 -0.0055 -0.0021 0.0076 -0.735 -0.281 1.016 -0.262 -0.1 0.362 -0.245 -0.094 0.339 5 C 13 0.0212 0.3861 0.9222 0.7563 0.5971 -0.2673 -0.6538 0.7032 -0.2794 -0.0014 -0.0011 0.0025 -0.772 -0.587 1.359 -0.276 -0.209 0.485 -0.258 -0.196 0.453 6 H 1 -0.2402 0.5948 0.7672 0.7465 0.6184 -0.2457 0.6206 -0.5136 0.5925 -0.0018 -0.001 0.0029 -0.985 -0.56 1.545 -0.351 -0.2 0.551 -0.329 -0.187 0.515 7 H 1 -0.3228 -0.1289 0.9377 0.2797 0.9334 0.2246 0.9042 -0.3348 0.2653 -0.0013 -0.0011 0.0024 -0.675 -0.604 1.279 -0.241 -0.215 0.456 -0.225 -0.201 0.427 8 H 1 -0.336 0.4285 0.8388 -0.0049 0.8897 -0.4565 0.9418 0.1575 0.2969 -0.0038 -0.0027 0.0065 -2.035 -1.425 3.46 -0.726 -0.509 1.235 -0.679 -0.475 1.154 9 H 1 0.5718 0.7247 -0.3845 0.8201 -0.4927 0.2909 -0.0213 0.4817 0.8761 -0.1749 -0.168 0.3429 -6.744 -6.48 13.224 -2.406 -2.312 4.719 -2.25 -2.162 4.411 10 N 14 -0.4417 0.7553 -0.4841 0.8963 0.3954 -0.2008 -0.0397 0.5226 0.8517 -0.1107 -0.1026 0.2132 -4.268 -3.956 8.224 -1.523 -1.412 2.935 -1.424 -1.32 2.743 11 N 14 0.9184 -0.3416 0.1995 0.3956 0.796 -0.4582 -0.0023 0.4997 0.8662 -0.2817 -0.273 0.5547 -10.864 -10.529 21.392 -3.877 -3.757 7.633 -3.624 -3.512 7.136 12 N 14 0.0228 -0.0575 0.9981 0.5575 0.8294 0.0351 0.8298 -0.5557 -0.051 -0.0017 -0.0015 0.0033 -0.923 -0.826 1.748 -0.329 -0.295 0.624 -0.308 -0.275 0.583 13 H 1 0.1547 0.5928 0.7903 -0.0931 0.8052 -0.5857 0.9836 -0.0171 -0.1798 -0.004 -0.0031 0.0071 -2.15 -1.639 3.789 -0.767 -0.585 1.352 -0.717 -0.547 1.264 14 H 1 -0.0039 0.1213 0.9926 -0.1462 0.9819 -0.1206 0.9893 0.1456 -0.0139 -0.0403 0.0139 0.0263 -5.403 1.869 3.534 -1.928 0.667 1.261 -1.802 0.623 1.179 15 C 13 -0.0212 0.9274 0.3734 0.9979 -0.0033 0.0651 -0.0616 -0.3739 0.9254 -0.0267 -0.023 0.0497 -3.583 -3.084 6.666 -1.278 -1.1 2.379 -1.195 -1.029 2.224 16 C 13 -0.5985 0.7922 0.119 0.7923 0.5634 0.2343 -0.1186 -0.2345 0.9649 -0.0235 -0.017 0.0405 -3.159 -2.279 5.438 -1.127 -0.813 1.94 -1.054 -0.76 1.814 17 C 13 0.009 -0.0273 0.9996 -0.0872 0.9958 0.0279 0.9962 0.0874 -0.0066 -0.0241 0.0098 0.0143 -3.237 1.314 1.923 -1.155 0.469 0.686 -1.08 0.438 0.641 18 C 13 -0.0328 -0.0573 0.9978 -0.2494 0.9672 0.0474 0.9678 0.2473 0.046 -0.0251 0.0112 0.014 -3.374 1.498 1.876 -1.204 0.534 0.67 -1.125 0.5 0.626 19 C 13 -0.2036 0.9787 -0.0254 0.9791 0.2035 -0.0059 6.0E-4 0.0261 0.9997 -0.0257 -0.0228 0.0485 -3.454 -3.054 6.508 -1.232 -1.09 2.322 -1.152 -1.019 2.171 20 C 13 0.9919 0.1246 0.0235 -0.087 0.8039 -0.5884 -0.0923 0.5816 0.8082 -0.1298 -0.1172 0.247 -22.225 -20.069 42.294 -7.931 -7.161 15.092 -7.414 -6.694 14.108 21 B 11 0.6462 -0.5866 0.4882 -0.1029 0.5669 0.8173 0.7562 0.5784 -0.306 -0.0231 8.0E-4 0.0223 -12.342 0.432 11.91 -4.404 0.154 4.25 -4.117 0.144 3.973 22 H 1 0.5645 0.685 -0.4605 -0.1187 0.6196 0.7759 0.8168 -0.3834 0.4311 -0.0226 -0.0 0.0226 -12.061 -0.012 12.073 -4.304 -0.004 4.308 -4.023 -0.004 4.027 23 H 1 0.2239 0.0232 0.9743 0.9286 -0.3087 -0.206 0.296 0.9509 -0.0906 -0.0026 -7.0E-4 0.0033 -1.39 -0.393 1.783 -0.496 -0.14 0.636 -0.463 -0.131 0.595 24 H 1 0.2016 -0.3875 0.8996 -0.1196 0.9018 0.4153 0.9721 0.1913 -0.1355 -0.0061 -4.0E-4 0.0065 -3.247 -0.218 3.465 -1.158 -0.078 1.236 -1.083 -0.073 1.156 25 H 1 0.9066 -0.398 -0.1404 0.3039 0.8464 -0.4373 0.2929 0.3538 0.8883 -0.0096 -0.0079 0.0175 0.692 0.574 -1.266 0.247 0.205 -0.452 0.231 0.192 -0.422 26 O 17 0.268 -0.0066 0.9634 0.6172 0.769 -0.1664 0.7397 -0.6392 -0.2102 -0.0157 0.0063 0.0094 1.135 -0.458 -0.678 0.405 -0.163 -0.242 0.379 -0.153 -0.226 27 O 17 -0.353 -0.1014 0.9301 0.7289 -0.653 0.2055 0.5866 0.7505 0.3044 -0.0064 0.0015 0.005 0.466 -0.105 -0.361 0.166 -0.038 -0.129 0.156 -0.035 -0.12 28 O 17 0.2782 0.0932 0.956 -0.594 0.7988 0.095 0.7548 0.5943 -0.2776 -0.0012 1.0E-4 0.001 -0.157 0.018 0.139 -0.056 0.006 0.049 -0.052 0.006 0.046 29 C 13 0.007 -0.1628 0.9866 -0.6371 0.7598 0.1299 0.7708 0.6295 0.0984 -3.0E-4 -3.0E-4 6.0E-4 -0.185 -0.136 0.322 -0.066 -0.049 0.115 -0.062 -0.046 0.107 30 H 1 -0.3291 -0.0526 0.9428 -0.5916 0.7897 -0.1624 0.7361 0.6112 0.291 -8.0E-4 -5.0E-4 0.0013 -0.402 -0.265 0.667 -0.143 -0.095 0.238 -0.134 -0.088 0.223 31 H 1 0.287 -0.6309 0.7208 -0.5819 0.4829 0.6544 0.7609 0.6073 0.2285 -6.0E-4 -3.0E-4 9.0E-4 -0.347 -0.151 0.498 -0.124 -0.054 0.178 -0.116 -0.051 0.166 32 H 1 -0.0339 0.8185 0.5735 0.6642 -0.4103 0.6249 0.7468 0.4021 -0.5297 -0.0016 -0.0012 0.0029 -0.219 -0.166 0.385 -0.078 -0.059 0.137 -0.073 -0.055 0.128 33 C 13 -0.062 0.5174 0.8535 0.6811 -0.6032 0.4151 0.7296 0.607 -0.315 -6.0E-4 -3.0E-4 0.001 -0.343 -0.183 0.526 -0.122 -0.065 0.188 -0.114 -0.061 0.175 34 H 1 -0.1277 0.9605 0.2472 0.2284 -0.214 0.9497 0.9652 0.1777 -0.1921 -5.0E-4 -4.0E-4 9.0E-4 -0.261 -0.212 0.473 -0.093 -0.076 0.169 -0.087 -0.071 0.158 35 H 1 -0.1904 0.9711 -0.144 0.5253 0.2247 0.8207 0.8293 0.0806 -0.5529 -7.0E-4 -4.0E-4 0.0011 -0.39 -0.194 0.584 -0.139 -0.069 0.208 -0.13 -0.065 0.195 36 H 1 0.4198 0.2868 0.8611 0.1596 0.9106 -0.3811 0.8935 -0.2975 -0.3365 -3.0E-4 -2.0E-4 5.0E-4 -0.04 -0.023 0.063 -0.014 -0.008 0.022 -0.013 -0.008 0.021 37 C 13 0.1264 0.0937 0.9875 0.3536 0.9259 -0.1331 0.9268 -0.3661 -0.0838 -5.0E-4 -3.0E-4 8.0E-4 -0.259 -0.145 0.404 -0.092 -0.052 0.144 -0.086 -0.048 0.135 38 H 1 0.2269 0.0674 0.9716 0.3464 0.9268 -0.1452 0.9103 -0.3695 -0.1869 -5.0E-4 -3.0E-4 8.0E-4 -0.245 -0.181 0.426 -0.087 -0.065 0.152 -0.082 -0.06 0.142 39 H 1 PT11877.100S 2025-06-19T15:40:49.000 -19.27378 -19.27346 -19.26870 -14.51970 -14.49744 -14.46411 -10.36327 -10.34866 -10.34758 -10.34331 -10.34245 -10.33819 -10.33388 -10.33142 -10.32920 -10.32904 -10.32414 -10.31968 -10.28056 -10.28051 -6.79578 -1.19328 -1.18049 -1.16497 -1.15000 -1.07337 -0.97552 -0.94542 -0.91568 -0.86056 -0.84644 -0.84189 -0.81017 -0.78449 -0.77790 -0.75295 -0.72716 -0.70595 -0.68448 -0.68067 -0.63914 -0.61993 -0.61178 -0.60788 -0.60565 -0.57471 -0.56973 -0.56783 -0.55830 -0.55515 -0.54925 -0.54194 -0.53406 -0.53142 -0.52640 -0.52059 -0.50420 -0.49702 -0.47779 -0.47410 -0.47019 -0.46927 -0.45348 -0.44199 -0.43456 -0.42946 -0.41722 -0.40823 -0.40574 -0.38837 -0.38610 -0.37888 -0.37027 -0.34648 -0.30545 -0.29576 -0.21350 0.05494 0.06588 0.08844 0.09418 0.11087 0.11817 0.13098 0.13398 0.13801 0.14106 0.14519 0.15748 0.16082 0.16846 0.16934 0.17252 0.17786 0.18429 0.18697 0.18997 0.19250 0.19367 0.19734 0.20010 0.20644 0.21094 0.21892 0.22169 0.22700 0.23020 0.23163 0.23990 0.24277 0.24630 0.25409 0.26248 0.26740 0.27433 0.27539 0.28473 0.28896 0.29050 0.29212 0.29515 0.29850 0.30719 0.31605 0.32251 0.32720 0.33750 0.33957 0.34508 0.35871 0.36236 0.36580 0.37089 0.37987 0.38080 0.38681 0.39091 0.39763 0.40308 0.40371 0.40981 0.41523 0.41853 0.42292 0.42620 0.43385 0.44022 0.44308 0.44424 0.44712 0.45301 0.45400 0.45535 0.46168 0.46643 0.47313 0.47411 0.47890 0.48259 0.48879 0.49026 0.49429 0.49823 0.50390 0.50786 0.51241 0.51320 0.51922 0.52041 0.52154 0.52448 0.52991 0.53454 0.53987 0.54172 0.54686 0.54950 0.55474 0.55862 0.56759 0.56863 0.57367 0.58302 0.58438 0.59372 0.59598 0.60240 0.60919 0.61887 0.62133 0.62853 0.63073 0.63584 0.63967 0.65101 0.66085 0.66450 0.67256 0.67779 0.69043 0.69707 0.69847 0.70372 0.71478 0.71786 0.72099 0.73058 0.73752 0.74374 0.75379 0.75612 0.76204 0.76811 0.77309 0.77970 0.78479 0.79425 0.80179 0.80734 0.81582 0.81754 0.82400 0.83001 0.83211 0.83691 0.84138 0.85191 0.85704 0.85965 0.86447 0.86922 0.88575 0.88970 0.89933 0.89995 0.90909 0.91099 0.92002 0.93154 0.93448 0.93655 0.94169 0.94424 0.95311 0.96152 0.96187 0.97006 0.97544 0.98456 0.99197 0.99330 0.99833 1.00326 1.01248 1.02169 1.02555 1.03674 1.03924 1.04309 1.04718 1.05112 1.05820 1.06204 1.06916 1.07834 1.08470 1.08732 1.09213 1.10097 1.10659 1.11307 1.11624 1.11974 1.12632 1.13004 1.13493 1.14538 1.14744 1.14862 1.15930 1.16788 1.17475 1.17512 1.17910 1.18437 1.19184 1.19510 1.19890 1.20470 1.20979 1.21597 1.22134 1.23408 1.23976 1.24995 1.25181 1.25997 1.26449 1.27380 1.27862 1.28492 1.29626 1.30868 1.31046 1.31971 1.33110 1.33608 1.34031 1.34195 1.35261 1.35958 1.36561 1.37058 1.38740 1.38913 1.39714 1.40280 1.40395 1.41328 1.42204 1.42939 1.43099 1.44099 1.44773 1.44906 1.45449 1.47015 1.47642 1.48421 1.48929 1.49470 1.49559 1.50262 1.50486 1.51396 1.52519 1.52908 1.53156 1.53454 1.54331 1.54886 1.55545 1.55913 1.56164 1.56426 1.57403 1.58367 1.58659 1.59794 1.60137 1.60196 1.62015 1.62103 1.62648 1.63441 1.63630 1.64364 1.64688 1.65432 1.66613 1.67424 1.67913 1.69491 1.70466 1.71438 1.72746 1.73146 1.73369 1.74151 1.74944 1.75529 1.76346 1.77323 1.78055 1.78676 1.79384 1.80189 1.81675 1.82741 1.84044 1.85017 1.85762 1.86766 1.88384 1.88605 1.90544 1.91087 1.92320 1.92766 1.94278 1.94792 1.95339 1.96048 1.96339 1.96819 1.98871 1.99498 2.00448 2.00882 2.03584 2.05007 2.06445 2.07059 2.07918 2.09529 2.10734 2.10845 2.11580 2.12620 2.13670 2.16001 2.16510 2.16704 2.18140 2.18821 2.20186 2.20709 2.20958 2.22970 2.24148 2.25308 2.25720 2.26922 2.28989 2.29265 2.29875 2.30444 2.31849 2.32448 2.33817 2.34345 2.35062 2.36065 2.36621 2.38310 2.39003 2.39968 2.40794 2.40999 2.43179 2.44430 2.44890 2.46522 2.46693 2.49016 2.49932 2.50963 2.51802 2.52501 2.53781 2.54699 2.55377 2.57389 2.58442 2.59311 2.59566 2.60981 2.61284 2.62744 2.63392 2.64842 2.65510 2.66377 2.67338 2.67894 2.68622 2.70362 2.70611 2.71140 2.72220 2.73274 2.73855 2.74560 2.75192 2.75935 2.76176 2.77069 2.78432 2.79164 2.79701 2.80071 2.81595 2.82545 2.83274 2.84710 2.86087 2.86867 2.87571 2.88379 2.88957 2.89784 2.90457 2.90731 2.91766 2.91838 2.92633 2.93643 2.94129 2.95005 2.95205 2.96125 2.96783 2.96985 2.98134 2.99068 2.99647 3.00383 3.00734 3.01728 3.01953 3.02471 3.03296 3.03927 3.04318 3.05014 3.05168 3.05627 3.06422 3.06915 3.07531 3.08611 3.09212 3.09807 3.10878 3.11421 3.11615 3.12435 3.12780 3.13400 3.14882 3.15123 3.15755 3.16056 3.17389 3.18407 3.18591 3.19083 3.19688 3.19946 3.20905 3.22133 3.22453 3.23394 3.23695 3.24760 3.24977 3.25367 3.26831 3.27433 3.28055 3.28405 3.29532 3.30160 3.30892 3.30977 3.31523 3.32485 3.33078 3.33962 3.34378 3.36150 3.36698 3.37318 3.37711 3.38170 3.39709 3.40228 3.40461 3.40734 3.41143 3.42272 3.42356 3.43196 3.43789 3.44017 3.44561 3.45671 3.46067 3.46589 3.46778 3.47975 3.48497 3.49071 3.49300 3.49731 3.50377 3.51222 3.51985 3.52858 3.53636 3.54024 3.54403 3.55653 3.56827 3.57160 3.57828 3.58923 3.58989 3.59211 3.59810 3.60967 3.61379 3.62313 3.62798 3.63422 3.64221 3.64273 3.64850 3.65975 3.66469 3.67356 3.68601 3.69124 3.69525 3.69821 3.70349 3.71099 3.72073 3.72862 3.73008 3.73518 3.74107 3.75553 3.75642 3.76489 3.76739 3.77444 3.78783 3.79076 3.79787 3.81222 3.82115 3.82398 3.83127 3.84001 3.85567 3.85791 3.87129 3.87453 3.88603 3.89237 3.89738 3.90101 3.90759 3.91195 3.91603 3.92097 3.92831 3.93080 3.95419 3.95938 3.96280 3.96965 3.97516 3.98229 3.99678 4.00565 4.01251 4.01740 4.03307 4.03727 4.04284 4.04838 4.06020 4.07103 4.07975 4.08002 4.08450 4.09060 4.10013 4.10590 4.11377 4.12641 4.13217 4.14864 4.15243 4.16016 4.16523 4.16663 4.17159 4.18762 4.19031 4.20709 4.21120 4.21599 4.21872 4.22713 4.24252 4.24512 4.25119 4.26147 4.26448 4.26602 4.27395 4.27676 4.28473 4.28582 4.28994 4.30254 4.30305 4.30701 4.31537 4.31869 4.33205 4.33643 4.34495 4.35019 4.36406 4.36648 4.37646 4.37841 4.38922 4.40289 4.41097 4.42308 4.43233 4.44186 4.44469 4.46368 4.47104 4.48222 4.49293 4.49554 4.50285 4.52042 4.52954 4.54050 4.54714 4.56824 4.57194 4.58559 4.59126 4.60644 4.61534 4.62526 4.63687 4.63835 4.64586 4.65372 4.66296 4.66917 4.67568 4.69888 4.70990 4.71711 4.72161 4.73235 4.73961 4.76335 4.76960 4.77767 4.78975 4.79845 4.80546 4.81901 4.82791 4.83724 4.85432 4.86178 4.86894 4.87943 4.90354 4.90927 4.92559 4.93151 4.94511 4.95040 4.96125 4.96616 4.98038 4.99514 5.00303 5.01155 5.03108 5.03983 5.04449 5.06203 5.06713 5.08309 5.09512 5.10200 5.10736 5.11082 5.11589 5.12300 5.12831 5.13428 5.15836 5.16688 5.17561 5.18263 5.18925 5.20154 5.20614 5.21712 5.21955 5.23681 5.24311 5.25565 5.26772 5.27304 5.28818 5.29668 5.30156 5.30804 5.31671 5.32465 5.33539 5.34740 5.36045 5.36149 5.36511 5.36972 5.37526 5.38312 5.40440 5.40858 5.43305 5.44273 5.44777 5.45287 5.45470 5.46544 5.48322 5.49869 5.51738 5.53743 5.53925 5.56742 5.57624 5.59019 5.59646 5.60980 5.62330 5.63132 5.63365 5.64447 5.64848 5.65383 5.66183 5.67936 5.68454 5.69322 5.70800 5.71248 5.72074 5.73162 5.75948 5.77005 5.77640 5.79514 5.80301 5.80782 5.85950 5.87326 5.91577 5.94473 5.99421 6.04337 6.04913 6.08029 6.09193 6.12913 6.13818 6.15755 6.18926 6.21722 6.24514 6.25169 6.28262 6.30844 6.33641 6.42468 6.44052 6.46663 6.51854 6.63228 6.66691 6.74468 6.81606 6.89593 6.91214 6.95371 6.97330 6.99747 7.06505 7.11328 7.13513 7.17495 7.26094 7.34883 7.39133 7.47838 7.51883 7.56413 7.62651 15.91347 22.75513 23.15084 23.19076 23.20104 23.24135 23.27999 23.39155 23.47020 23.51314 23.63759 23.66371 23.66450 23.67202 23.95741 32.48460 33.18457 33.38376 44.37538 44.49976 44.62572 -19.27370 -19.27352 -19.26872 -14.51549 -14.49480 -14.46264 -10.36398 -10.34894 -10.34774 -10.34273 -10.34198 -10.33767 -10.33443 -10.33138 -10.32921 -10.32906 -10.32411 -10.31969 -10.28002 -10.27995 -6.79300 -1.18830 -1.18036 -1.16513 -1.14992 -1.06747 -0.97266 -0.94352 -0.91387 -0.86011 -0.84516 -0.84083 -0.80989 -0.78313 -0.77717 -0.75024 -0.72418 -0.70521 -0.68311 -0.67880 -0.63596 -0.61674 -0.60979 -0.60506 -0.60083 -0.57252 -0.56886 -0.56481 -0.55451 -0.55151 -0.54626 -0.54145 -0.53325 -0.52976 -0.52380 -0.52006 -0.50373 -0.49618 -0.47481 -0.47316 -0.46915 -0.46870 -0.45119 -0.44170 -0.43026 -0.42762 -0.41633 -0.40480 -0.40203 -0.38597 -0.37743 -0.37254 -0.35285 -0.34635 -0.30065 -0.28994 -0.00197 0.06364 0.06683 0.09194 0.09530 0.11143 0.13043 0.13286 0.13451 0.14011 0.14290 0.14757 0.15760 0.16080 0.16855 0.16974 0.17304 0.17852 0.18450 0.18739 0.19119 0.19323 0.19529 0.19766 0.20097 0.20677 0.21210 0.21968 0.22409 0.22805 0.23120 0.23267 0.24219 0.24297 0.24996 0.25554 0.26268 0.26756 0.27513 0.27934 0.28585 0.29003 0.29249 0.29444 0.29689 0.30149 0.30856 0.31743 0.32313 0.32904 0.33893 0.34032 0.34596 0.35913 0.36337 0.36662 0.37146 0.37980 0.38161 0.38841 0.39129 0.39937 0.40410 0.40425 0.41009 0.41779 0.41867 0.42369 0.42683 0.43435 0.44079 0.44339 0.44506 0.44799 0.45325 0.45515 0.45594 0.46225 0.46706 0.47356 0.47447 0.48010 0.48293 0.48941 0.49131 0.49468 0.49884 0.50421 0.50797 0.51272 0.51377 0.51976 0.52113 0.52313 0.52464 0.53110 0.53848 0.54007 0.54259 0.54807 0.55030 0.55494 0.55932 0.56820 0.56909 0.57479 0.58358 0.58550 0.59441 0.59672 0.60289 0.60974 0.61960 0.62259 0.62890 0.63085 0.63667 0.64034 0.65153 0.66178 0.66461 0.67362 0.67822 0.69146 0.69814 0.70205 0.70587 0.71544 0.71929 0.72431 0.73124 0.73796 0.74407 0.75512 0.75648 0.76187 0.76851 0.77344 0.78069 0.78506 0.79536 0.80240 0.80790 0.81681 0.81845 0.82470 0.83042 0.83276 0.83773 0.84233 0.85233 0.85772 0.85985 0.86509 0.86970 0.88589 0.88999 0.89989 0.90054 0.90934 0.91117 0.92033 0.93262 0.93501 0.93680 0.94142 0.94450 0.95322 0.96176 0.96298 0.97074 0.97702 0.98504 0.99197 0.99385 0.99839 1.00395 1.01347 1.02229 1.02580 1.03688 1.03943 1.04326 1.04789 1.05207 1.05904 1.06316 1.06975 1.07970 1.08541 1.08820 1.09627 1.10218 1.10721 1.11348 1.11690 1.12277 1.12702 1.13168 1.13554 1.14601 1.14835 1.14957 1.15951 1.16812 1.17499 1.17579 1.17934 1.18510 1.19268 1.19627 1.19962 1.20537 1.21000 1.21680 1.22188 1.23489 1.24025 1.25026 1.25204 1.26046 1.26521 1.27490 1.27901 1.28578 1.29808 1.30929 1.31153 1.31994 1.33171 1.33743 1.34102 1.34267 1.35338 1.36029 1.36625 1.37274 1.38818 1.38953 1.39746 1.40327 1.40432 1.41395 1.42336 1.42998 1.43129 1.44122 1.44832 1.44947 1.45487 1.47100 1.47722 1.48508 1.48973 1.49552 1.49662 1.50304 1.50535 1.51451 1.52587 1.52940 1.53217 1.53620 1.54568 1.54977 1.55615 1.55950 1.56270 1.56478 1.57502 1.58401 1.58790 1.59884 1.60171 1.60354 1.62058 1.62180 1.62749 1.63496 1.63810 1.64423 1.64737 1.65441 1.66709 1.67541 1.68169 1.69639 1.70545 1.71563 1.72820 1.73368 1.73407 1.74276 1.75018 1.75583 1.76453 1.77445 1.78116 1.78846 1.79673 1.80395 1.81921 1.82891 1.84174 1.85174 1.85884 1.87035 1.88850 1.88938 1.90653 1.91325 1.92743 1.93339 1.94395 1.95021 1.95398 1.96501 1.96598 1.97113 1.99158 1.99748 2.00653 2.01176 2.04492 2.05354 2.06619 2.07550 2.08516 2.10274 2.10866 2.11224 2.12142 2.13286 2.14190 2.16193 2.17150 2.17246 2.18345 2.19510 2.20552 2.20986 2.21485 2.23162 2.24389 2.25481 2.26150 2.27387 2.29278 2.29498 2.30039 2.30663 2.32124 2.32687 2.34125 2.34703 2.35165 2.36355 2.36697 2.38659 2.39334 2.40240 2.41077 2.41362 2.43778 2.44888 2.45761 2.46989 2.47200 2.49241 2.50148 2.51203 2.51951 2.52639 2.54235 2.54920 2.55571 2.57519 2.58841 2.59564 2.60032 2.61135 2.61527 2.62965 2.63489 2.64861 2.65619 2.66447 2.67568 2.67935 2.68879 2.70438 2.70758 2.71247 2.72254 2.73371 2.74006 2.74666 2.75253 2.76061 2.76306 2.77163 2.78478 2.79221 2.79889 2.80147 2.81701 2.82733 2.83434 2.84802 2.86200 2.86937 2.87644 2.88457 2.89003 2.89817 2.90491 2.90809 2.91821 2.91904 2.92675 2.93760 2.94163 2.95073 2.95313 2.96161 2.96865 2.97060 2.98185 2.99198 2.99743 3.00463 3.00875 3.01761 3.01987 3.02567 3.03342 3.04001 3.04399 3.05044 3.05294 3.05673 3.06458 3.06949 3.07601 3.08685 3.09282 3.09860 3.10952 3.11468 3.11664 3.12493 3.12823 3.13439 3.14918 3.15178 3.15765 3.16090 3.17463 3.18486 3.18643 3.19188 3.19718 3.19982 3.20960 3.22196 3.22563 3.23458 3.23764 3.24795 3.25051 3.25469 3.26908 3.27516 3.28099 3.28453 3.29565 3.30261 3.31015 3.31038 3.31615 3.32541 3.33151 3.34042 3.34425 3.36290 3.36833 3.37462 3.37918 3.38250 3.39770 3.40306 3.40483 3.40821 3.41177 3.42314 3.42389 3.43286 3.43843 3.44070 3.44637 3.45755 3.46208 3.46640 3.46888 3.48038 3.48549 3.49166 3.49390 3.49897 3.50464 3.51366 3.52070 3.52905 3.53683 3.54095 3.54473 3.55835 3.56901 3.57275 3.57910 3.59001 3.59100 3.59377 3.59869 3.61062 3.61487 3.62391 3.62854 3.63569 3.64322 3.64405 3.64908 3.66089 3.66568 3.67497 3.68712 3.69206 3.69634 3.69867 3.70473 3.71304 3.72206 3.72967 3.73075 3.73600 3.74186 3.75668 3.75761 3.76561 3.76857 3.77471 3.78825 3.79200 3.79934 3.81336 3.82193 3.82493 3.83239 3.84113 3.85686 3.85837 3.87221 3.87537 3.88720 3.89278 3.89811 3.90138 3.90813 3.91231 3.91665 3.92175 3.92934 3.93192 3.95543 3.95989 3.96376 3.97123 3.97593 3.98262 3.99758 4.00635 4.01357 4.01831 4.03343 4.03827 4.04319 4.04958 4.06088 4.07146 4.08020 4.08154 4.08563 4.09136 4.10077 4.10657 4.11413 4.12685 4.13279 4.14921 4.15279 4.16057 4.16614 4.16788 4.17206 4.18827 4.19072 4.20728 4.21174 4.21696 4.21884 4.22777 4.24311 4.24556 4.25155 4.26205 4.26493 4.26663 4.27420 4.27752 4.28559 4.28623 4.29080 4.30304 4.30348 4.30794 4.31573 4.31960 4.33255 4.33691 4.34627 4.35085 4.36520 4.36760 4.37743 4.37861 4.39061 4.40444 4.41210 4.42356 4.43288 4.44210 4.44628 4.46448 4.47174 4.48284 4.49369 4.49654 4.50399 4.52121 4.53058 4.54450 4.54784 4.56932 4.57356 4.58603 4.59331 4.60811 4.61552 4.62601 4.63733 4.63875 4.64715 4.65437 4.66319 4.66976 4.67655 4.69918 4.71031 4.71772 4.72208 4.73315 4.74056 4.76429 4.77062 4.77816 4.79108 4.79973 4.80711 4.82017 4.82951 4.83900 4.85529 4.86290 4.87158 4.88099 4.90585 4.91060 4.92714 4.93263 4.94691 4.95203 4.96254 4.96818 4.98152 4.99632 5.00579 5.01257 5.03248 5.04105 5.04615 5.06369 5.06940 5.08439 5.09603 5.10337 5.10953 5.11260 5.11741 5.12450 5.12943 5.13492 5.15882 5.16796 5.17932 5.18353 5.19210 5.20252 5.20773 5.21849 5.22290 5.23869 5.24493 5.25639 5.27055 5.27516 5.29099 5.29851 5.30306 5.31075 5.31928 5.32704 5.33791 5.34963 5.36096 5.36222 5.36661 5.37179 5.37637 5.38471 5.40646 5.41035 5.43560 5.44450 5.44882 5.45382 5.45602 5.46612 5.48663 5.50036 5.51972 5.53790 5.54087 5.56951 5.57641 5.59192 5.59883 5.61147 5.62462 5.63259 5.63471 5.64482 5.64939 5.65432 5.66224 5.68037 5.68552 5.69434 5.70850 5.71255 5.72150 5.73205 5.76005 5.77077 5.77844 5.79600 5.80449 5.80926 5.86003 5.87393 5.91656 5.94649 5.99622 6.04573 6.04968 6.08063 6.09232 6.13051 6.13924 6.15952 6.19002 6.21789 6.24539 6.25365 6.28311 6.30848 6.33691 6.42525 6.44162 6.46676 6.51958 6.63271 6.66799 6.74478 6.81588 6.89596 6.91209 6.95373 6.97331 6.99774 7.06524 7.11688 7.13501 7.17506 7.26103 7.34886 7.39133 7.47839 7.51881 7.56417 7.62655 15.92001 22.75525 23.15127 23.19095 23.20108 23.24093 23.28118 23.39228 23.47020 23.51315 23.63755 23.66329 23.66450 23.67203 23.95756 32.48636 33.18923 33.38662 44.37540 44.49972 44.62573 2-A. -2.1275 2.4430 -1.8667 3.7388 -80.5528 -129.0833 -126.4625 -6.4385 1.7013 9.8549 31.4801 -17.0505 -14.4296 -6.4385 1.7013 9.8549 -70.8459 40.4786 -15.7008 39.1346 27.7776 -40.1396 19.4458 17.0739 -9.6887 6.3338 -6937.2970 -1904.5620 -506.1799 -113.4783 14.7523 -114.6872 105.9876 46.5512 45.6295 -1606.0396 -1417.7054 -412.9512 65.7245 50.3813 -21.8747 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-NODO01 CECILIA 2025-06-19T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-959.6630132 S2=0.759693 S2-1=0. S2A=0.750068 RMSD=4.506e-09 Dipole=0.8897813,-1.1463583,-0.2405944 Quadrupole=23.4555118,-17.960008,-5.4955038,-3.3287287,2.653961,-4.5160603 PG=C01 [X(C14H19B1N3O3)] 0 0.8582291659 1.0537584516 0.0905377666 0 1.9401288569 -0.8919315044 -0.1073874737 0 3.2673628214 -1.5723353396 -0.1891654245 0 4.2147456132 -0.4629353137 0.3342556361 0 3.4730382816 0.877947863 0.1138948255 0 3.3073258553 -2.4950807981 0.4034879329 0 3.4822546448 -1.840101937 -1.2358597706 0 5.194579295 -0.4769799222 -0.1597657111 0 3.761485743 1.3799565986 -0.8244994853 0 2.0970034521 0.4431754163 0.0452749192 0 0.6963011305 -1.2371819179 -0.1765714348 0 0.0161577063 -0.0456851012 -0.0733286226 0 4.3869572544 -0.6079313753 1.4108845224 0 3.6180719471 1.5925254425 0.9358752206 0 -1.3931587133 -0.0760702256 -0.1284126388 0 -2.1121959029 0.9894336652 -0.6588315584 0 -2.060992633 -1.2128141202 0.3385457491 0 -3.5098363095 0.9451181735 -0.7231237967 0 -3.4463210499 -1.2578851144 0.2788833589 0 -4.1954599777 -0.189361974 -0.2528110555 0 0.6345211447 2.5211315254 0.3423585196 0 1.6332377789 3.2001912933 0.451326451 0 -0.4607103502 3.0061198429 0.4577067417 0 -1.5123853704 -2.0582643307 0.7495218212 0 -1.6140624748 1.8727092085 -1.0521289869 0 -5.5595948081 -0.2311549907 -0.2540014777 0 -4.0992910999 2.0519480073 -1.2219781915 0 -4.0886043129 -2.3623303476 0.7589037357 0 -4.7420289709 -2.1802076802 1.9983720997 0 -5.1866601714 -3.1458822443 2.2713115251 0 -4.0232663642 -1.8818331532 2.7808897731 0 -5.535617564 -1.4183974157 1.9299104459 0 -6.1538682744 -1.2058398943 -1.0881732921 0 -5.8680035875 -2.2245573654 -0.7860321295 0 -7.2408043603 -1.0848713836 -0.9938084237 0 -5.8654094601 -1.0516840566 -2.1428005791 0 -5.2981323409 1.9797226395 -1.9564681396 0 -6.176346887 1.8630536432 -1.3068508701 0 -5.3747543422 2.9249535485 -2.5099617296 0 -5.2748617654 1.1494053965 -2.683200003