Gaussian 16 GINC-A4 ERMJ26 TS2 Carbene ES64L-G16RevC.01 19-May-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 32 32 58 58 272 (6D, 7F) 6-31G(d) 90 90 90 90 90 90 90 90 90 90 90 90 90 90 C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] C1[X(C14H16O2)] RB3LYP 6-31G(d) FTS # opt=(calcfc,ts,noeigen,maxstep=5,gdiis) freq rb3lyp/6-31G(d) em=gd3 200.14859999999993 0 1 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4329,4.3125,-.2511;1.7902,4.5004,.4266;.1321,5.0072,-1.1773;2.2572,3.2683,.3017;2.7161,2.8037,-1.0526;2.9052,2.6692,1.5108;3.0089,1.303,-1.1355;3.6512,3.372,-1.2115;2.0252,3.1385,-1.8317;3.1907,1.166,1.3841;3.8521,3.2279,1.6239;2.3086,2.9057,2.3977;3.8748,.8124,.0447;3.5187,1.0886,-2.082;2.0638,.7579,-1.1578;3.8236,.8473,2.2205;2.2481,.619,1.4664;4.8364,1.3476,.0051;4.1619,-.6756,-.0515;5.4741,-1.1599,-.0964;3.1092,-1.6043,-.0911;5.7336,-2.5312,-.1782;6.304,-.4569,-.0679;3.3628,-2.9743,-.1722;2.0869,-1.247,-.0585;4.6791,-3.4441,-.2163;6.7612,-2.8837,-.213;2.5296,-3.6728,-.2016;4.8786,-4.5103,-.2805;-.0903,3.1518,.3836;-1.0881,2.8748,.0464;.0688,3.0608,1.4517; g16 Output=Uncat_TS2_Conf1_3_Carbene.log nprocshared=16 mem=32GB # opt=(calcfc,ts,noeigen,maxstep=5,gdiis) freq rb3lyp/6-31G(d) em=gd3 1/5=1,8=5,10=4,11=1,18=20,19=11,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=1,6=6,7=1,11=2,25=1,30=1,71=2,74=-5,116=1,124=31,140=1/1,2,3 4//1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,8=5,10=4,11=1,18=20,19=11,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=1,6=6,7=1,11=2,25=1,30=1,71=1,74=-5,116=1,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/5=1,8=5,11=1,18=20,19=11,26=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 TS2 Carbene 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 1 1 1 2 4 4 5 5 5 6 6 6 7 7 7 10 10 10 13 13 19 19 20 20 21 21 22 22 24 24 26 30 30 2 3 30 4 5 6 7 8 9 10 11 12 13 14 15 13 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 31 32 1.5287 1.1962 1.4225 1.3236 1.5035 1.4968 1.5313 1.1058 1.0938 1.5354 1.1051 1.0948 1.5439 1.0963 1.0912 1.545 1.0962 1.0929 1.1011 1.5185 1.3994 1.4043 1.3981 1.088 1.3956 1.0835 1.3954 1.0869 1.3983 1.0877 1.0866 1.0891 1.0837 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 2 2 5 4 4 4 7 7 8 4 4 4 10 10 11 5 5 5 13 13 14 6 6 6 13 13 16 7 7 7 10 10 18 13 13 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 31 1 1 1 2 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 30 30 30 3 30 30 4 5 6 6 7 8 9 8 9 9 10 11 12 11 12 12 13 14 15 14 15 15 13 16 17 16 17 17 10 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 31 32 32 119.6778 103.2398 136.6198 99.0342 118.7032 116.6859 118.1504 114.2008 103.224 110.7475 109.5259 112.4744 105.9255 113.9346 104.5557 109.3903 110.1253 112.307 105.9526 112.1693 109.1036 108.9677 109.6966 110.0395 106.707 112.2049 109.2101 108.874 109.8294 109.4266 107.1609 109.9735 107.9254 111.653 107.8579 111.2836 107.9929 121.2248 120.5351 118.2393 121.0198 119.3935 119.5866 120.9713 119.2359 119.7928 120.2047 119.7026 120.0927 120.1773 119.5295 120.2932 119.3876 120.3199 120.2924 113.9771 117.0161 114.7266 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 30 2 2 3 3 1 1 2 2 2 6 6 6 2 2 2 5 5 5 4 4 4 8 8 8 9 9 9 4 4 4 11 11 11 12 12 12 5 5 5 14 14 14 15 15 15 6 6 6 16 16 16 17 17 17 7 7 10 10 18 18 13 13 21 21 13 13 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 28 1 1 1 1 1 1 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 2 2 30 30 30 30 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 26 26 26 26 26 26 26 26 4 4 31 32 31 32 5 6 7 8 9 7 8 9 10 11 12 10 11 12 13 14 15 13 14 15 13 14 15 13 16 17 13 16 17 13 16 17 10 18 19 10 18 19 10 18 19 7 18 19 7 18 19 7 18 19 20 21 20 21 20 21 22 23 22 23 24 25 24 25 26 27 26 27 26 28 26 28 24 29 24 29 22 29 22 29 -123.8984 49.5508 178.126 40.3403 -10.1716 -147.9572 73.7976 -134.8922 -170.0723 71.1095 -41.8715 39.0368 -79.7813 167.2377 169.3747 -70.3483 42.7569 -39.1519 81.1251 -165.7697 -47.2013 -168.9559 74.893 67.9801 -53.7745 -169.9257 -174.5188 63.7265 -52.4246 47.6355 169.6562 -73.6433 -69.4616 52.5591 169.2596 172.7158 -65.2635 51.437 56.1497 -61.2695 -179.8066 177.5647 60.1455 -58.3916 -65.332 177.2488 58.7117 -56.4038 61.0573 179.3383 -178.071 -60.6099 57.6711 64.5571 -177.9818 -59.7008 121.9137 -58.414 -114.7828 64.8895 3.4168 -176.9108 179.6748 -0.3816 -0.0048 179.9388 -179.6495 0.3912 0.0324 -179.9269 -0.0193 179.9305 -179.9628 -0.013 -0.0361 -179.9903 179.923 -0.0312 0.0159 179.9694 -179.9336 0.0198 0.0114 -179.942 179.9652 0.0118 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 272 A 272 A 512 272 1048.4993960258 32 1.00e+00 60 F Berny optimization. saddle point Step number 13 out of a maximum of 187 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.08649 0.00290 0.00379 0.00487 0.00730 0.01198 0.01628 0.01714 0.01720 0.01747 0.01755 0.02183 0.02369 0.02462 0.02652 0.02740 0.02787 0.02836 0.03207 0.03643 0.03782 0.04065 0.04131 0.04344 0.04645 0.04780 0.04882 0.05055 0.05466 0.05906 0.06452 0.07150 0.07778 0.07898 0.08092 0.08503 0.09113 0.10874 0.11218 0.11536 0.11910 0.12302 0.12558 0.12581 0.12838 0.13171 0.13667 0.17041 0.18194 0.19101 0.19175 0.19228 0.19470 0.20625 0.20842 0.21768 0.23219 0.24847 0.25384 0.25608 0.28283 0.28650 0.29031 0.29476 0.30185 0.31425 0.31829 0.32051 0.32876 0.33479 0.33656 0.34149 0.34440 0.34571 0.34926 0.35580 0.35813 0.35882 0.35943 0.36130 0.36851 0.36983 0.41672 0.42365 0.46464 0.47080 0.47111 0.50974 0.60853 0.92072 R1 A4 D2 R4 D4 1 0.68718 0.28335 0.26377 -0.25551 -0.25148 D3 A1 A3 R3 D7 1 2 0.00022473 0.00000004 0.00000064 0.00000064 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 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 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 3.20925 2.24275 2.63838 2.44711 2.85201 2.84460 2.90065 2.08621 2.06553 2.90685 2.08423 2.06742 2.91767 2.07047 2.07163 2.91837 2.07059 2.07179 2.07970 2.86927 2.64553 2.65136 2.63883 2.05605 2.63519 2.05460 2.63638 2.05397 2.63983 2.05399 2.05344 2.05800 2.04170 2.03867 1.73437 2.48736 1.65598 2.12543 2.07639 2.02526 1.96852 1.83402 1.92575 1.90978 1.95851 1.85979 1.96330 1.85322 1.90811 1.90954 1.96080 1.86308 1.95572 1.91775 1.88855 1.91525 1.91327 1.87120 1.95507 1.91606 1.89595 1.91731 1.90838 1.86892 1.92611 1.87424 1.95586 1.87284 1.95038 1.88025 2.10632 2.11263 2.06423 2.11280 2.08263 2.08775 2.11017 2.08980 2.08321 2.09582 2.09019 2.09718 2.09796 2.08957 2.09566 2.08538 2.09937 2.09844 2.02682 2.06847 2.02772 -2.08894 0.87631 -3.08041 0.66049 -0.19905 -2.74133 1.22376 -2.28545 -2.68115 1.52286 -0.47550 0.81796 -1.26121 3.02362 2.66691 -1.52808 0.47585 -0.82164 1.26655 -3.01270 -0.88112 -3.01515 1.23029 1.15351 -0.98052 -3.01826 -3.06913 1.08003 -0.95771 0.89201 3.02702 -1.21786 -1.16317 0.97185 3.01015 3.05411 -1.09407 0.94424 0.96302 -1.07304 -3.13452 3.09847 1.06241 -0.99907 -1.13406 3.11307 1.05159 -0.96901 1.06792 3.12542 -3.10331 -1.06638 0.99113 1.13366 -3.11260 -1.05510 2.06947 -1.07397 -2.04149 1.09825 0.01156 -3.13188 3.13981 -0.00240 0.00002 3.14099 -3.13959 0.00325 0.00020 -3.14015 -0.00026 3.14101 -3.14123 0.00004 -0.00017 -3.14106 3.14018 -0.00070 0.00029 3.14134 -3.14098 0.00007 -0.00007 -3.14113 3.14081 -0.00024 -0.00002 -0.00000 -0.00000 -0.00002 -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 0.00001 -0.00001 -0.00003 -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 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00036 0.00004 -0.00002 -0.00004 -0.00006 -0.00004 -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 -0.00001 0.00000 0.00001 0.00015 -0.00015 0.00010 0.00004 0.00005 0.00000 -0.00004 0.00001 -0.00001 0.00002 0.00003 -0.00000 -0.00005 0.00003 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00002 -0.00003 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00003 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00003 0.00003 0.00031 0.00031 -0.00032 -0.00041 -0.00024 -0.00033 -0.00034 -0.00003 0.00048 0.00047 0.00048 0.00018 0.00017 0.00017 -0.00045 -0.00045 -0.00042 -0.00016 -0.00015 -0.00013 -0.00007 -0.00008 -0.00008 -0.00007 -0.00009 -0.00008 -0.00004 -0.00006 -0.00005 0.00003 0.00005 0.00005 0.00002 0.00004 0.00004 -0.00001 0.00001 0.00001 -0.00002 -0.00003 -0.00003 -0.00000 -0.00001 -0.00001 0.00002 0.00001 0.00001 0.00004 0.00004 0.00003 0.00002 0.00002 0.00001 0.00000 0.00001 0.00000 0.00008 0.00007 0.00008 0.00006 0.00007 0.00006 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 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 -0.00001 -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 -0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 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 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00005 -0.00003 -0.00005 -0.00003 -0.00004 -0.00003 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00036 0.00004 -0.00002 -0.00004 -0.00006 -0.00004 -0.00001 0.00002 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 -0.00001 0.00000 0.00001 0.00015 -0.00016 0.00010 0.00004 0.00005 0.00000 -0.00005 0.00001 -0.00001 0.00003 0.00003 -0.00001 -0.00006 0.00003 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00002 -0.00003 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00003 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00002 0.00003 0.00031 0.00031 -0.00032 -0.00040 -0.00026 -0.00034 -0.00034 -0.00004 0.00049 0.00047 0.00048 0.00018 0.00017 0.00017 -0.00046 -0.00046 -0.00043 -0.00017 -0.00016 -0.00014 -0.00007 -0.00008 -0.00008 -0.00006 -0.00008 -0.00008 -0.00003 -0.00005 -0.00005 0.00004 0.00006 0.00005 0.00003 0.00004 0.00004 -0.00000 0.00001 0.00001 -0.00003 -0.00003 -0.00003 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00003 0.00004 0.00003 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 3.20888 2.24279 2.63836 2.44707 2.85196 2.84456 2.90064 2.08622 2.06553 2.90686 2.08423 2.06742 2.91767 2.07047 2.07163 2.91837 2.07058 2.07180 2.07970 2.86927 2.64553 2.65136 2.63883 2.05605 2.63519 2.05460 2.63638 2.05397 2.63983 2.05399 2.05344 2.05799 2.04170 2.03868 1.73452 2.48721 1.65608 2.12547 2.07644 2.02526 1.96847 1.83403 1.92573 1.90981 1.95854 1.85978 1.96325 1.85326 1.90810 1.90955 1.96081 1.86310 1.95571 1.91778 1.88852 1.91526 1.91328 1.87120 1.95507 1.91607 1.89593 1.91731 1.90838 1.86893 1.92611 1.87424 1.95586 1.87284 1.95037 1.88025 2.10632 2.11263 2.06424 2.11280 2.08263 2.08775 2.11017 2.08980 2.08321 2.09582 2.09019 2.09718 2.09796 2.08957 2.09566 2.08538 2.09937 2.09844 2.02681 2.06849 2.02774 -2.08863 0.87662 -3.08073 0.66009 -0.19931 -2.74167 1.22342 -2.28549 -2.68066 1.52333 -0.47502 0.81814 -1.26104 3.02379 2.66645 -1.52854 0.47542 -0.82181 1.26639 -3.01284 -0.88119 -3.01523 1.23021 1.15344 -0.98060 -3.01834 -3.06917 1.07998 -0.95776 0.89205 3.02708 -1.21781 -1.16314 0.97189 3.01019 3.05411 -1.09405 0.94425 0.96300 -1.07307 -3.13455 3.09847 1.06241 -0.99908 -1.13404 3.11308 1.05160 -0.96897 1.06796 3.12546 -3.10329 -1.06636 0.99114 1.13366 -3.11260 -1.05510 2.06950 -1.07394 -2.04146 1.09828 0.01160 -3.13185 3.13981 -0.00240 0.00002 3.14099 -3.13959 0.00325 0.00019 -3.14015 -0.00026 3.14101 -3.14123 0.00004 -0.00017 -3.14106 3.14018 -0.00070 0.00029 3.14134 -3.14098 0.00007 -0.00007 -3.14112 3.14081 -0.00024 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000004 0.001129 0.000225 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.654961e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 1 1 1 2 4 4 5 5 5 6 6 6 7 7 7 10 10 10 13 13 19 19 20 20 21 21 22 22 24 24 26 30 30 2 3 30 4 5 6 7 8 9 10 11 12 13 14 15 13 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 31 32 1.6983 1.1868 1.3962 1.295 1.5092 1.5053 1.535 1.104 1.093 1.5382 1.1029 1.094 1.544 1.0956 1.0963 1.5443 1.0957 1.0963 1.1005 1.5184 1.4 1.403 1.3964 1.088 1.3945 1.0872 1.3951 1.0869 1.3969 1.0869 1.0866 1.089 1.0804 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 2 2 5 4 4 4 7 7 8 4 4 4 10 10 11 5 5 5 13 13 14 6 6 6 13 13 16 7 7 7 10 10 18 13 13 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 31 1 1 1 2 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 30 30 30 3 30 30 4 5 6 6 7 8 9 8 9 9 10 11 12 11 12 12 13 14 15 14 15 15 13 16 17 16 17 17 10 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 31 32 32 116.8072 99.372 142.5155 94.8807 121.7782 118.9685 116.0386 112.7879 105.0815 110.3372 109.4225 112.2146 106.5579 112.489 106.182 109.3266 109.4085 112.3455 106.7468 112.0542 109.8792 108.2061 109.7359 109.6221 107.2118 112.0172 109.7821 108.6302 109.8537 109.3419 107.0814 110.3578 107.3859 112.0625 107.3056 111.7483 107.7304 120.6831 121.045 118.2719 121.0547 119.326 119.6193 120.9041 119.7365 119.3594 120.0814 119.7593 120.1593 120.2043 119.7234 120.0723 119.4837 120.2848 120.2315 116.1283 118.5143 116.1796 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 30 2 2 3 3 1 1 2 2 2 6 6 6 2 2 2 5 5 5 4 4 4 8 8 8 9 9 9 4 4 4 11 11 11 12 12 12 5 5 5 14 14 14 15 15 15 6 6 6 16 16 16 17 17 17 7 7 10 10 18 18 13 13 21 21 13 13 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 1 1 1 1 1 1 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 2 2 30 30 30 30 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 26 26 26 26 26 26 26 4 4 31 32 31 32 5 6 7 8 9 7 8 9 10 11 12 10 11 12 13 14 15 13 14 15 13 14 15 13 16 17 13 16 17 13 16 17 10 18 19 10 18 19 10 18 19 7 18 19 7 18 19 7 18 19 20 21 20 21 20 21 22 23 22 23 24 25 24 25 26 27 26 27 26 28 26 28 24 29 24 29 22 29 22 -119.6874 50.2087 -176.4947 37.8434 -11.4048 -157.0667 70.1165 -130.9468 -153.6187 87.2535 -27.244 46.8658 -72.2621 173.2405 152.8025 -87.5527 27.2641 -47.0766 72.5682 -172.615 -50.4847 -172.7553 70.4906 66.0911 -56.1794 -172.9336 -175.8483 61.8811 -54.873 51.1083 173.4354 -69.7783 -66.6445 55.6826 172.469 174.9876 -62.6853 54.101 55.1771 -61.4805 -179.5949 177.5293 60.8718 -57.2427 -64.9766 178.3659 60.2514 -55.5201 61.1874 179.0736 -177.8064 -61.0989 56.7873 64.9537 -178.3388 -60.4526 118.5721 -61.534 -116.9688 62.9251 0.6626 -179.4435 179.8978 -0.1377 0.001 179.9655 -179.8851 0.1861 0.0113 -179.9175 -0.0149 179.9665 -179.9793 0.0021 -0.0097 -179.9693 179.9193 -0.0403 0.0164 179.9854 -179.9648 0.0041 -0.0043 -179.9732 179.9552 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4329,4.3125,-.2511;1.7902,4.5004,.4266;.1321,5.0072,-1.1774;2.2572,3.2682,.3017;2.716,2.8037,-1.0526;2.9052,2.6692,1.5108;3.0089,1.303,-1.1355;3.6512,3.372,-1.2115;2.0252,3.1385,-1.8316;3.1907,1.166,1.3841;3.8521,3.2279,1.6239;2.3086,2.9057,2.3977;3.8748,.8123,.0447;3.5187,1.0887,-2.082;2.0638,.7579,-1.1578;3.8236,.8473,2.2205;2.2481,.619,1.4664;4.8364,1.3475,.0051;4.1619,-.6756,-.0515;5.4741,-1.1599,-.0964;3.1093,-1.6043,-.0911;5.7336,-2.5312,-.1782;6.304,-.4569,-.0679;3.3628,-2.9743,-.1722;2.0869,-1.247,-.0585;4.6791,-3.4441,-.2163;6.7612,-2.8837,-.213;2.5296,-3.6729,-.2016;4.8786,-4.5103,-.2805;-.0903,3.1518,.3836;-1.0881,2.8748,.0464;.0688,3.0609,1.4517; 0.000000 1.528738 0.000000 1.196247 2.361980 0.000000 2.173537 1.323552 3.118932 0.000000 2.851636 2.433885 3.398224 1.503512 0.000000 3.452117 2.402448 4.514686 1.496833 2.573826 0.000000 4.058954 3.761435 4.690297 2.548104 1.531251 2.979916 0.000000 3.487755 2.723894 3.880589 2.060084 1.105781 2.908810 2.167798 0.000000 2.532183 2.647527 2.739346 2.149872 1.093752 3.488025 2.195788 1.755779 0.000000 4.492238 3.741182 5.538164 2.542153 2.974052 1.535356 2.529867 3.437477 3.948488 0.000000 4.047584 2.702580 4.985098 2.072033 2.938348 1.105140 3.468446 2.846163 3.909722 2.178600 0.000000 3.537472 2.587889 4.683443 2.127715 3.475755 1.094785 3.942363 3.878991 4.245221 2.198158 1.756402 0.000000 4.917913 4.253588 5.753140 2.952002 2.551939 2.556834 1.543871 2.860123 3.514699 1.545025 2.885988 3.517318 0.000000 4.823695 4.573907 5.257645 3.467623 2.155316 3.972742 1.096292 2.447280 2.548581 3.482504 4.291971 4.983357 2.174004 0.000000 4.014618 4.073228 4.667806 2.910224 2.149830 3.388558 1.091237 3.058830 2.474482 2.810289 4.127499 4.161031 2.174613 1.755130 0.000000 5.441867 4.549501 6.517510 3.463598 3.970835 2.160250 3.483430 4.264168 4.990416 1.096245 2.454359 2.561942 2.176683 4.320102 3.810260 0.000000 4.459476 4.044263 5.542861 2.893964 3.367057 2.153438 2.795753 4.088897 4.156302 1.092877 3.066540 2.469785 2.169029 3.798187 2.634292 1.761568 0.000000 5.314830 4.404195 6.076305 3.229437 2.781135 2.782665 2.154649 2.642608 3.805738 2.154773 2.669272 3.813405 1.101143 2.481754 3.063824 2.486802 3.060264 0.000000 6.231141 5.713540 7.057021 4.393966 3.898491 3.899768 2.533632 4.241461 4.720387 2.529032 4.259142 4.717974 1.518463 2.765712 2.771444 2.756119 2.764569 2.133361 0.000000 7.442099 6.773678 8.230335 5.487731 4.922497 4.883027 3.636308 5.010472 5.777734 3.579864 4.984216 5.724450 2.543058 3.580803 4.053970 3.481503 4.001688 2.589221 1.399394 0.000000 6.495911 6.266949 7.331782 4.962035 4.528709 4.568429 3.090782 5.129600 5.167098 3.139629 5.180980 5.212938 2.538632 3.373912 2.794751 3.444467 2.847851 3.421313 1.404320 2.406263 0.000000 8.656741 8.084483 9.444707 6.778586 6.191202 6.156037 4.800134 6.344469 6.973632 4.751470 6.320958 6.922823 3.831956 4.651156 5.024448 4.562498 4.977651 3.985367 2.435019 1.398060 2.784598 0.000000 7.566415 6.722559 8.317423 5.512688 4.947146 4.880179 3.885185 4.796456 5.860519 3.799292 4.738275 5.774848 2.743051 3.768705 4.543440 3.617994 4.467827 2.327050 2.153256 1.087978 3.394617 2.154131 0.000000 7.854172 7.661744 8.669017 6.357383 5.880336 5.906894 4.398654 6.437335 6.473748 4.426491 6.475516 6.503065 3.827263 4.492112 4.072825 4.532388 4.103577 4.569588 2.436621 2.784894 1.395642 2.411881 3.872852 0.000000 5.803523 5.775441 6.647400 4.532790 4.218054 4.297593 2.917564 5.011171 4.730816 3.020282 5.096150 4.829785 2.729156 3.405851 2.286575 3.549171 2.415229 3.780896 2.152272 3.388540 1.083468 3.868061 4.290476 2.150435 0.000000 8.842890 8.477853 9.644867 7.154712 6.602118 6.595660 5.115604 6.964711 7.278980 5.101957 6.970367 7.264455 4.339648 5.037182 5.038148 5.008669 5.024945 4.799369 2.821216 2.421661 2.421786 1.395356 3.403851 1.398303 3.401700 0.000000 9.583059 8.924381 10.350943 7.641849 7.029578 6.976756 5.697329 7.057205 7.830536 5.630222 7.013465 7.756178 4.696638 5.457731 6.018285 5.335905 5.954586 4.653624 3.414377 2.154513 3.871503 1.086936 2.473813 3.399854 4.954970 2.156237 0.000000 8.256187 8.230624 9.057780 6.964660 6.534869 6.579943 5.085343 7.204750 7.021855 5.134788 7.259576 7.076885 4.689075 5.214035 4.556616 5.288993 4.613192 5.528857 3.416208 3.872516 2.151101 3.401412 4.960488 1.087680 2.470074 2.161635 4.304553 0.000000 9.879644 9.551468 10.673176 8.229019 7.665989 7.658247 6.166140 8.031501 8.309798 6.151448 8.034918 8.293027 5.426234 6.036818 6.037116 6.006022 6.023350 5.864968 3.907803 3.407955 3.407562 2.158357 4.302026 2.160721 4.300232 1.086587 2.488887 2.495046 0.000000 1.422540 2.314474 2.434805 2.351774 3.171632 3.236754 3.915418 4.073247 3.063135 3.963520 4.133546 3.141951 4.616304 4.833307 3.570256 4.899390 3.613296 5.260280 5.737603 7.055744 5.751777 8.156593 7.356172 7.054226 4.928014 8.161698 9.150227 7.333670 9.156374 0.000000 2.113963 3.327451 2.744737 3.378006 3.960355 4.258321 4.544513 4.928532 3.645484 4.797657 5.197909 4.131216 5.374431 5.379908 3.983178 5.741308 4.270280 6.118286 6.338599 7.704633 6.139924 8.706930 8.109007 7.353228 5.203916 8.559081 9.738543 7.484713 9.499890 1.089071 0.000000 2.144434 2.467049 3.271703 2.480772 3.653103 2.863915 4.292688 4.474664 3.822791 3.652533 3.790822 2.436289 4.639062 5.317734 4.011560 4.425988 3.272939 5.268523 5.742324 7.030485 5.778202 8.125083 7.318499 7.064711 4.991076 8.145623 9.104757 7.357415 9.135454 1.083713 1.829720 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.9902,.5999,-.0519;3.4849,-.8226,.1896;4.7426,.8156,-.9565;2.1826,-.5926,.135;1.5518,-.3271,-1.2038;1.3424,-1.229,1.1978;.1017,.159,-1.129;1.5854,-1.3149,-1.6996;2.1834,.3325,-1.8057;-.1064,-.7218,1.2334;1.3618,-2.3077,.9584;1.8424,-1.1266,2.1663;-.7517,-.6989,-.1702;-.3364,.1368,-2.1337;.0932,1.2013,-.8061;-.6953,-1.3593,1.9031;-.1177,.2863,1.6552;-.7599,-1.7306,-.5549;-2.1879,-.2098,-.1086;-3.256,-1.0528,-.4357;-2.4771,1.1061,.2872;-4.5771,-.6,-.371;-3.0533,-2.0758,-.7457;-3.7942,1.563,.354;-1.6624,1.773,.5429;-4.8517,.7097,.0243;-5.3903,-1.2727,-.6309;-3.9914,2.5869,.6634;-5.8778,1.0638,.0747;3.2383,1.3744,.8747;3.4889,2.4342,.8716;3.081,.9487,1.8588; 1.5746292 0.2289381 0.2226350 -19.18394 -19.13164 -10.30690 -10.30122 -10.21332 -10.20913 -10.20790 -10.20320 -10.20144 -10.19882 -10.19566 -10.19523 -10.19406 -10.19384 -10.19343 -10.18649 -1.09407 -1.02820 -0.86836 -0.84402 -0.78007 -0.77240 -0.74813 -0.73248 -0.72027 -0.64948 -0.63281 -0.61068 -0.58711 -0.56482 -0.54063 -0.52283 -0.50244 -0.48279 -0.47123 -0.46863 -0.45401 -0.45203 -0.44680 -0.43375 -0.42601 -0.42070 -0.40925 -0.40733 -0.39373 -0.37778 -0.36971 -0.36614 -0.36478 -0.35753 -0.34162 -0.33761 -0.32693 -0.30496 -0.26874 -0.25436 -0.24722 -0.22312 -0.06989 -0.00742 -0.00467 0.04210 0.07336 0.08512 0.09210 0.11121 0.11930 0.13289 0.13643 0.14060 0.15176 0.15818 0.16208 0.16417 0.16827 0.17115 0.17712 0.18900 0.19133 0.20092 0.21343 0.22946 0.23509 0.23946 0.26743 0.27281 0.28723 0.29597 0.30160 0.32315 0.33046 0.33566 0.34820 0.36056 0.45824 0.49632 0.50316 0.51797 0.51813 0.52995 0.53141 0.54194 0.54261 0.55967 0.56125 0.56991 0.59071 0.59252 0.60205 0.60432 0.60616 0.61616 0.61865 0.62923 0.63677 0.65187 0.66163 0.66475 0.67257 0.68684 0.70075 0.70681 0.72293 0.74028 0.75924 0.76928 0.78624 0.80817 0.81745 0.82516 0.82761 0.83337 0.83861 0.84570 0.85452 0.85655 0.87266 0.87731 0.88114 0.89385 0.90754 0.91195 0.91588 0.93025 0.93735 0.94750 0.95545 0.96578 0.97726 0.98170 0.99191 1.01584 1.03425 1.04879 1.09109 1.10634 1.11490 1.13148 1.15087 1.17584 1.18442 1.19636 1.20836 1.24671 1.27023 1.29020 1.34124 1.34727 1.35758 1.38390 1.42317 1.42454 1.43394 1.45475 1.46972 1.48379 1.48718 1.50508 1.51106 1.59570 1.62377 1.64311 1.65431 1.67884 1.68917 1.70525 1.71761 1.75042 1.78547 1.79572 1.80868 1.81825 1.82407 1.83832 1.84846 1.86451 1.87063 1.90278 1.91389 1.92291 1.92534 1.93450 1.96340 1.96531 1.97540 1.98956 2.01721 2.02936 2.05891 2.07359 2.09346 2.10065 2.12827 2.13586 2.14097 2.15292 2.17512 2.18216 2.19032 2.22932 2.24616 2.27037 2.30198 2.30300 2.30750 2.33361 2.35809 2.37269 2.40465 2.41441 2.43798 2.44076 2.48509 2.52533 2.54193 2.57980 2.61176 2.62222 2.64984 2.66441 2.68034 2.71057 2.71567 2.72577 2.74168 2.74996 2.75737 2.81178 2.82914 2.92873 2.94802 2.99706 3.02586 3.07182 3.12309 3.40333 4.04077 4.08408 4.10771 4.11492 4.16504 4.18168 4.24059 4.26000 4.28190 4.32778 4.39596 4.50983 4.52821 4.59988 4.62957 4.70961 1-A. Mulliken charges: 1 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 C O O C C C C H H C H H C H H H H H C C C C H C H C H H H C H H 0.538494 -0.475964 -0.441848 0.379425 -0.318389 -0.336635 -0.265090 0.163946 0.192931 -0.263951 0.173427 0.173716 -0.191566 0.151309 0.156131 0.150776 0.154112 0.125270 0.184482 -0.195436 -0.184886 -0.127637 0.124105 -0.131838 0.130047 -0.129528 0.131299 0.132142 0.131595 -0.443914 0.152111 0.161362 -0.00000 -4.5144 -1.1877 1.4081 4.8758 -116.2030 -89.6213 -94.3006 -2.4083 7.5072 2.8744 -16.1613 10.4203 5.7410 -2.4083 7.5072 2.8744 -147.6888 -1.0880 0.1196 -2.0630 -6.8666 32.0226 17.8721 -4.4625 2.3097 0.3054 -5700.0273 -602.9939 -459.5479 -74.6496 178.3330 -3.7991 8.9025 -3.8454 -7.1798 -967.2505 -1033.2466 -184.2389 62.2393 -1.3542 -3.0488 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.4004,4.2364,-.2652;1.7533,4.494,.4396;.093,4.9098,-1.2041;2.2787,3.2925,.3087;2.7499,2.8376,-1.0443;2.9345,2.6969,1.5158;3.0251,1.3333,-1.1319;3.6934,3.3955,-1.1907;2.0693,3.1847,-1.8268;3.2023,1.1898,1.3889;3.8892,3.2434,1.6191;2.3464,2.9414,2.406;3.8818,.8285,.0492;3.5333,1.1131,-2.0778;2.0711,.8025,-1.1549;3.8305,.8615,2.225;2.2518,.6555,1.47;4.85,1.3515,.0115;4.1512,-.6626,-.0492;5.4582,-1.1602,-.1004;3.0889,-1.5801,-.0848;5.7033,-2.5337,-.1849;6.2952,-.4656,-.075;3.3281,-2.9523,-.1686;2.0694,-1.2135,-.0473;4.6391,-3.4355,-.2191;6.727,-2.8968,-.2245;2.4882,-3.6427,-.195;4.8273,-4.5036,-.2852;-.0709,3.0596,.3697;-1.0488,2.7256,.0266;.0972,2.968,1.4359; 0.000000 1.547058 0.000000 1.195646 2.373070 0.000000 2.179128 1.317969 3.111627 0.000000 2.843256 2.437069 3.373333 1.503199 0.000000 3.458824 2.404772 4.513208 1.497214 2.570574 0.000000 4.008519 3.751973 4.625387 2.543729 1.531711 2.979537 0.000000 3.522427 2.762060 3.905968 2.063999 1.105775 2.896371 2.168494 0.000000 2.515958 2.636499 2.696278 2.148475 1.093642 3.487018 2.196348 1.756897 0.000000 4.457411 3.730764 5.498204 2.537874 2.973214 1.535969 2.531020 3.429296 3.950143 0.000000 4.087544 2.741737 5.015831 2.076770 2.925113 1.104906 3.458757 2.820721 3.897389 2.177651 0.000000 3.549599 2.574743 4.688941 2.127584 3.475410 1.094594 3.945030 3.867443 4.248881 2.198907 1.758012 0.000000 4.881871 4.256637 5.708163 2.950942 2.552072 2.557177 1.543899 2.856907 3.515088 1.544957 2.880367 3.517984 0.000000 4.780739 4.575658 5.197512 3.466837 2.157668 3.972533 1.096146 2.453914 2.549014 3.483291 4.281629 4.985603 2.174099 0.000000 3.921066 4.033757 4.559152 2.895745 2.148205 3.386279 1.092052 3.058886 2.475146 2.810772 4.118124 4.163045 2.174681 1.756797 0.000000 5.418167 4.549447 6.489748 3.462588 3.969977 2.162063 3.484225 4.255195 4.991583 1.096128 2.458490 2.561446 2.176666 4.320422 3.810866 0.000000 4.388803 4.005546 5.469087 2.881463 3.366218 2.153006 2.797751 4.082275 4.159213 1.093431 3.066039 2.471872 2.169250 3.799860 2.635241 1.762004 0.000000 5.310152 4.432617 6.063688 3.235227 2.780848 2.782445 2.153530 2.638288 3.804181 2.153588 2.662115 3.811711 1.101049 2.481108 3.063371 2.485771 3.059782 0.000000 6.173759 5.707860 6.989630 4.390503 3.899340 3.900743 2.534540 4.240323 4.721805 2.529764 4.255474 4.719519 1.518453 2.765924 2.774130 2.756397 2.766429 2.132774 0.000000 7.398073 6.781445 8.176104 5.486537 4.920097 4.884499 3.633342 5.005677 5.774285 3.581798 4.981009 5.726090 2.542106 3.575366 4.054181 3.484865 4.005506 2.586714 1.399464 0.000000 6.410343 6.241317 7.235174 4.955103 4.533360 4.569317 3.096526 5.132691 5.174652 3.139596 5.177886 5.215302 2.539328 3.379787 2.803144 3.441914 2.848918 3.421287 1.404117 2.406286 0.000000 8.600124 8.085917 9.376646 6.776103 6.189653 6.157768 4.798293 6.340862 6.971505 4.753541 6.318307 6.925173 3.831110 4.646709 5.026363 4.565357 4.982258 3.982703 2.434882 1.397804 2.784718 0.000000 7.542808 6.744774 8.284816 5.513821 4.941604 4.881247 3.879006 4.787691 5.852484 3.801205 4.734552 5.775456 2.741313 3.759279 4.540670 3.622995 4.471388 2.323399 2.153243 1.087986 3.394537 2.153968 0.000000 7.762687 7.635348 8.564614 6.350316 5.884251 5.908134 4.403048 6.439934 6.480532 4.427057 6.472895 6.506003 3.827402 4.496157 4.080642 4.530671 4.106107 4.568573 2.436109 2.784565 1.395453 2.411873 3.872532 0.000000 5.703931 5.736995 6.537574 4.524860 4.227107 4.299200 2.928496 5.018688 4.744522 3.020296 5.094421 4.833093 2.732050 3.417466 2.300186 3.545517 2.414323 3.783462 2.153451 3.389644 1.084056 3.868765 4.291610 2.150032 0.000000 8.765088 8.463982 9.554159 7.149470 6.603108 6.597099 5.116601 6.964190 7.281127 5.103244 6.967739 7.267173 4.339035 5.036615 5.042882 5.009148 5.028779 4.797198 2.820603 2.421165 2.421488 1.395318 3.403494 1.398091 3.401481 0.000000 9.534730 8.933313 10.291474 7.640599 7.026559 6.978683 5.693996 7.051889 7.825991 5.632682 7.011087 7.758486 4.695586 5.451103 6.018998 5.339970 5.959736 4.650548 3.414320 2.154377 3.871618 1.086931 2.473805 3.399841 4.955671 2.156310 0.000000 8.151402 8.194511 8.938821 6.956625 6.540988 6.581567 5.091905 7.209732 7.032214 5.135373 7.257627 7.080661 4.689777 5.220694 4.566776 5.286414 4.615534 5.528415 3.415842 3.872071 2.151147 3.401024 4.960051 1.087557 2.469494 2.160985 4.304059 0.000000 9.797225 9.535841 10.576909 8.223519 7.667103 7.659871 6.167207 8.031239 8.312185 6.152875 8.032638 8.296077 5.425627 6.036194 6.042133 6.006591 6.027469 5.862705 3.907196 3.407477 3.407190 2.158260 4.301725 2.160423 4.299666 1.086593 2.488916 2.494050 0.000000 1.417855 2.321676 2.434633 2.361949 3.163228 3.236848 3.849694 4.088730 3.069367 3.904947 4.156542 3.162891 4.550177 4.771720 3.465121 4.847080 3.519232 5.221174 5.644104 6.971231 5.631823 8.058164 7.290547 6.927205 4.797290 8.044653 9.057796 7.196458 9.034515 0.000000 2.113763 3.339103 2.754854 3.387279 3.948440 4.252665 4.458453 4.941583 3.656332 4.720895 5.214210 4.151612 5.283055 5.293825 3.850762 5.667057 4.154874 6.056754 6.206927 7.580039 5.972651 8.561373 8.008089 7.171839 5.024506 8.388821 9.598922 7.288084 9.321352 1.088852 0.000000 2.143568 2.462552 3.277327 2.476935 3.633987 2.851335 4.223582 4.473793 3.818621 3.578554 3.806396 2.449668 4.563294 5.252983 3.911278 4.358591 3.160847 5.218327 5.641056 6.938474 5.652258 8.020246 7.244863 6.932782 4.855356 8.023235 9.005995 7.216538 9.008903 1.083248 1.832554 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.9407,.6562,-.0423;3.4971,-.8043,.2099;4.6785,.894,-.9526;2.1927,-.6337,.1287;1.565,-.3779,-1.213;1.3508,-1.2805,1.1843;.1209,.1268,-1.1361;1.5848,-1.3699,-1.7012;2.203,.2703,-1.8203;-.0922,-.7559,1.2264;1.355,-2.3561,.9315;1.8532,-1.194,2.1529;-.7413,-.7199,-.1751;-.3211,.1125,-2.1391;.1299,1.1689,-.8098;-.688,-1.3868,1.8962;-.088,.2517,1.651;-.7641,-1.7506,-.5617;-2.1711,-.2131,-.1089;-3.2488,-1.0415,-.442;-2.445,1.1031,.2962;-4.5644,-.5741,-.3743;-3.0577,-2.0645,-.7593;-3.7566,1.5745,.366;-1.6232,1.7601,.5571;-4.8237,.7359,.0302;-5.3854,-1.2355,-.639;-3.9427,2.5982,.6825;-5.8456,1.1015,.0831;3.1495,1.3927,.8752;3.3416,2.4645,.8738;2.9865,.957,1.8535; 1.5384413 0.2323404 0.2251230 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3721,4.1611,-.2793;1.7183,4.4856,.4518;.0586,4.8161,-1.2283;2.2976,3.3157,.3154;2.7809,2.8698,-1.0363;2.961,2.7233,1.5205;3.0397,1.3624,-1.1284;3.7318,3.4177,-1.171;2.1098,3.2278,-1.8219;3.2118,1.2126,1.3934;3.9232,3.2578,1.6143;2.3815,2.9753,2.414;3.8871,.8443,.0536;3.5464,1.1369,-2.0737;2.0774,.845,-1.1523;3.835,.8751,2.2294;2.2538,.6905,1.4733;4.8614,1.3558,.0181;4.1399,-.6496,-.0469;5.4421,-1.1594,-.1044;3.0689,-1.5567,-.0786;5.6739,-2.5348,-.1913;6.2856,-.4726,-.0819;3.2949,-2.9308,-.1649;2.0521,-1.1816,-.0363;4.6009,-3.4262,-.2218;6.6939,-2.9076,-.2359;2.4489,-3.6137,-.1883;4.7785,-4.496,-.2898;-.0472,2.9701,.356;-1.0024,2.5812,.0073;.1298,2.8793,1.4204; 0.000000 1.565968 0.000000 1.194920 2.384638 0.000000 2.185458 1.312639 3.106022 0.000000 2.835975 2.440138 3.351931 1.503113 0.000000 3.465431 2.406719 4.512149 1.497750 2.567300 0.000000 3.958484 3.741323 4.563375 2.539759 1.532241 2.979046 0.000000 3.554693 2.797915 3.930812 2.068026 1.105704 2.884540 2.169099 0.000000 2.504058 2.627776 2.661243 2.147362 1.093511 3.485815 2.196677 1.758066 0.000000 4.422143 3.718824 5.458982 2.533880 2.972407 1.536599 2.532053 3.421797 3.951392 0.000000 4.124530 2.778526 5.044098 2.081505 2.912149 1.104634 3.448921 2.796401 3.885425 2.176583 0.000000 3.563348 2.563371 4.695745 2.127651 3.474908 1.094410 3.947553 3.856337 4.252110 2.199621 1.759591 0.000000 4.844300 4.256927 5.663512 2.950013 2.552312 2.557328 1.543912 2.854122 3.515328 1.544869 2.874338 3.518471 0.000000 4.737297 4.575378 5.139621 3.466159 2.159930 3.972084 1.096013 2.459900 2.549354 3.483985 4.270947 4.987604 2.174179 0.000000 3.829759 3.994595 4.455442 2.882233 2.146729 3.384225 1.092830 3.058806 2.475340 2.811182 4.108851 4.165309 2.174697 1.758427 0.000000 5.392874 4.547083 6.461254 3.461673 3.969221 2.163804 3.484941 4.247114 4.992473 1.096021 2.462355 2.560811 2.176647 4.320703 3.811363 0.000000 4.319346 3.966439 5.397853 2.869456 3.365234 2.152756 2.799558 4.076017 4.161309 1.093968 3.065517 2.474175 2.169507 3.801437 2.636050 1.762443 0.000000 5.302047 4.456740 6.049228 3.240689 2.780712 2.781796 2.152457 2.634596 3.802801 2.152399 2.654305 3.809580 1.100956 2.480456 3.062905 2.484799 3.059328 0.000000 6.114993 5.699400 6.922863 4.387302 3.900267 3.901606 2.535412 4.239417 4.722961 2.530497 4.251318 4.721014 1.518442 2.766177 2.776640 2.756654 2.768445 2.132193 0.000000 7.351353 6.785394 8.120968 5.485394 4.917777 4.885779 3.630322 5.001170 5.770706 3.583808 4.977164 5.727602 2.541170 3.569903 4.054163 3.488350 4.009536 2.584258 1.399535 0.000000 6.325027 6.214102 7.141107 4.948740 4.538062 4.570230 3.102241 5.135846 5.181719 3.139480 5.174442 5.217772 2.540015 3.385789 2.811367 3.439174 2.850080 3.421251 1.403919 2.406308 0.000000 8.541191 8.083738 9.308162 6.773776 6.188177 6.159347 4.796404 6.337462 6.969177 4.755666 6.315019 6.927451 3.830281 4.642288 5.028024 4.568287 4.987084 3.980092 2.434754 1.397556 2.784838 0.000000 7.515303 6.762323 8.249810 5.514772 4.936152 4.882038 3.872769 4.779332 5.844485 3.803244 4.730116 5.775831 2.739602 3.749752 4.537685 3.628233 4.475170 2.319825 2.153229 1.087994 3.394459 2.153811 0.000000 7.671447 7.607222 8.462778 6.343820 5.888219 5.909398 4.407419 6.442563 6.486828 4.427563 6.469864 6.509068 3.827544 4.500348 4.088263 4.528792 4.108765 4.567572 2.435613 2.784242 1.395273 2.411866 3.872219 0.000000 5.605831 5.697960 6.431670 4.517649 4.236144 4.300868 2.939356 5.026141 4.757558 3.020092 5.092444 4.836547 2.734858 3.429186 2.313670 3.541503 2.413338 3.785930 2.154582 3.390708 1.084626 3.869450 4.292697 2.149656 0.000000 8.686306 8.447426 9.464621 7.144618 6.604170 6.598486 5.117574 6.963776 7.282929 5.104538 6.964576 7.269940 4.338442 5.036158 5.047387 5.009583 5.032806 4.795071 2.820013 2.420683 2.421204 1.395281 3.403147 1.397887 3.401280 0.000000 9.483344 8.938086 10.230691 7.639391 7.023613 6.980413 5.690611 7.046809 7.821321 5.635218 7.008004 7.760671 4.694552 5.444472 6.019444 5.344158 5.965119 4.647533 3.414269 2.154245 3.871734 1.086926 2.473797 3.399830 4.956354 2.156382 0.000000 8.047870 8.157346 8.823569 6.949283 6.547134 6.583265 5.098437 7.214658 7.041967 5.135856 7.255332 7.084627 4.690470 5.227518 4.576755 5.283602 4.617948 5.527972 3.415489 3.871636 2.151195 3.400648 4.959624 1.087439 2.468954 2.160354 4.303581 0.000000 9.713951 9.517545 10.481970 8.218430 7.668288 7.661450 6.168252 8.031056 8.314209 6.154303 8.029807 8.299190 5.425041 6.035692 6.046919 6.007107 6.031782 5.860486 3.906613 3.407012 3.406837 2.158165 4.301433 2.160138 4.299134 1.086600 2.488946 2.493086 0.000000 1.413414 2.328736 2.434876 2.370517 3.153812 3.235181 3.783764 4.100379 3.076070 3.845274 4.174897 3.183369 4.482100 4.709363 3.362347 4.792740 3.426249 5.178234 5.549463 6.884510 5.512802 7.958307 7.221388 6.801627 4.668768 7.927827 8.963285 7.062094 8.913275 0.000000 2.113568 3.350605 2.765306 3.394778 3.935160 4.244816 4.371901 4.949835 3.667377 4.642595 5.225036 4.171079 5.189032 5.206555 3.720829 5.590082 4.040569 5.990430 6.073254 7.452194 5.805608 8.413432 7.902436 6.991351 4.846682 8.218104 9.456176 7.094112 9.142921 1.088664 0.000000 2.142520 2.457982 3.281970 2.472000 3.614311 2.837265 4.155025 4.469840 3.814962 3.503894 3.817109 2.463027 4.486240 5.188197 3.814507 4.289506 3.050348 5.164762 5.539557 6.845116 5.528404 7.914978 7.168388 6.803558 4.723088 7.902242 8.906103 7.079891 8.884202 1.082791 1.835046 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.8898,.7107,-.0339;3.5069,-.7846,.2299;4.615,.9678,-.9481;2.2036,-.6706,.1233;1.5785,-.4252,-1.2214;1.3599,-1.3275,1.1722;.1399,.0963,-1.1428;1.5857,-1.4209,-1.702;2.2218,.2127,-1.8338;-.0776,-.7866,1.2203;1.3498,-2.3997,.9068;1.8644,-1.2556,2.1407;-.73,-.7394,-.1792;-.3056,.0886,-2.1442;.1649,1.1382,-.8141;-.6794,-1.4109,1.8906;-.0588,.2205,1.6469;-.7661,-1.7693,-.5666;-2.154,-.2167,-.109;-3.24,-1.0318,-.4478;-2.4142,1.0995,.3044;-4.5506,-.5515,-.3776;-3.0591,-2.0547,-.7714;-3.7207,1.5838,.3766;-1.5861,1.7476,.5701;-4.7961,.7585,.0352;-5.3782,-1.2027,-.6466;-3.897,2.6071,.6994;-5.8141,1.1344,.0901;3.0605,1.4084,.8734;3.1941,2.4889,.8724;2.8932,.9628,1.8459; 1.5049704 0.2358171 0.2276564 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3482,4.0923,-.2928;1.6884,4.4772,.4626;.0292,4.7331,-1.2484;2.3132,3.337,.3214;2.8074,2.8985,-1.0291;2.9834,2.7467,1.5248;3.0516,1.3882,-1.1251;3.765,3.4368,-1.1537;2.1448,3.2654,-1.8176;3.2178,1.2328,1.3976;3.9526,3.2692,1.6097;2.412,3.0059,2.4213;3.8901,.8584,.0581;3.5575,1.1581,-2.0696;2.0822,.8827,-1.1502;3.8359,.8868,2.2339;2.253,.7221,1.4756;4.8695,1.3599,.0252;4.1288,-.6377,-.0444;5.4266,-1.1575,-.1083;3.0505,-1.5361,-.0724;5.6474,-2.5344,-.1978;6.2755,-.4773,-.0888;3.2655,-2.9116,-.1612;2.036,-1.154,-.0251;4.5671,-3.417,-.2244;6.6642,-2.9152,-.2472;2.4146,-3.5882,-.1817;4.7359,-4.4881,-.2943;-.0204,2.8898,.3431;-.9509,2.4493,-.0104;.165,2.8013,1.4058; 0.000000 1.585884 0.000000 1.193993 2.397107 0.000000 2.192971 1.307796 3.103302 0.000000 2.831085 2.443226 3.336573 1.503435 0.000000 3.472524 2.408252 4.512626 1.498544 2.564416 0.000000 3.913131 3.730975 4.509802 2.536731 1.532876 2.978559 0.000000 3.584051 2.829655 3.955497 2.072099 1.105520 2.874285 2.169388 0.000000 2.497305 2.622156 2.637077 2.146803 1.093346 3.484775 2.196718 1.759248 0.000000 4.389631 3.706661 5.424122 2.530624 2.971807 1.537253 2.532874 3.415548 3.952231 0.000000 4.157936 2.810932 5.069989 2.086058 2.900308 1.104305 3.439276 2.774834 3.874793 2.175264 0.000000 3.578497 2.554335 4.703992 2.128091 3.474599 1.094244 3.949992 3.846671 4.255185 2.200317 1.761069 0.000000 4.808952 4.255169 5.623795 2.949446 2.552670 2.557175 1.543911 2.851700 3.515369 1.544762 2.867655 3.518717 0.000000 4.697398 4.573962 5.089587 3.465886 2.161972 3.971479 1.095901 2.464558 2.549467 3.484530 4.260242 4.989408 2.174249 0.000000 3.747385 3.959293 4.364627 2.870944 2.145686 3.382620 1.093548 3.058574 2.475187 2.811283 4.100049 4.167980 2.174609 1.759983 0.000000 5.368705 4.543098 6.435164 3.461112 3.968805 2.165368 3.485533 4.240648 4.993162 1.095930 2.465569 2.559934 2.176643 4.320956 3.811463 0.000000 4.255978 3.930067 5.334191 2.858902 3.364142 2.152902 2.800859 4.070481 4.162343 1.094464 3.065005 2.476983 2.169780 3.802620 2.636221 1.762863 0.000000 5.292372 4.475252 6.035685 3.245170 2.780445 2.780207 2.151453 2.631179 3.801392 2.151186 2.645160 3.806584 1.100868 2.479940 3.062399 2.484053 3.058871 0.000000 6.060247 5.689791 6.863056 4.384946 3.901270 3.902347 2.536221 4.238370 4.723786 2.531336 4.246246 4.722569 1.518419 2.766302 2.778996 2.756868 2.770913 2.131610 0.000000 7.306529 6.786038 8.070477 5.484424 4.915243 4.886719 3.627094 4.996158 5.766673 3.586135 4.971988 5.729027 2.540229 3.564063 4.053847 3.492267 4.014254 2.581817 1.399607 0.000000 6.247362 6.188754 7.057942 4.944228 4.543106 4.571412 3.108006 5.138944 5.188489 3.139321 5.170453 5.220716 2.540700 3.391802 2.819581 3.435961 2.851621 3.421214 1.403729 2.406328 0.000000 8.485493 8.079101 9.245836 6.771971 6.186525 6.160734 4.794317 6.333422 6.966342 4.758124 6.310415 6.929847 3.829457 4.637480 5.029394 4.571573 4.992723 3.977501 2.434642 1.397317 2.784964 0.000000 7.487038 6.774367 8.216449 5.515133 4.930285 4.882224 3.866261 4.770381 5.836021 3.805674 4.724103 5.775833 2.737888 3.739760 4.534352 3.634213 4.479609 2.316276 2.153213 1.088002 3.394377 2.153659 0.000000 7.588343 7.580966 8.372484 6.339182 5.892451 5.910953 4.411789 6.444916 6.492755 4.428141 6.466142 6.512714 3.827696 4.504457 4.095824 4.526577 4.111999 4.566582 2.435139 2.783923 1.395106 2.411858 3.871909 0.000000 5.517581 5.662945 6.338927 4.512876 4.245702 4.302975 2.950310 5.033734 4.770349 3.019554 5.090260 4.840599 2.737570 3.441023 2.327288 3.536611 2.412274 3.788296 2.155639 3.391709 1.085168 3.870112 4.293710 2.149321 0.000000 8.613549 8.430711 9.384359 7.141033 6.605279 6.599959 5.118450 6.962846 7.284275 5.106071 6.960382 7.273123 4.337871 5.035457 5.051713 5.010048 5.037611 4.792972 2.819460 2.420218 2.420948 1.395245 3.402813 1.397695 3.401110 0.000000 9.433932 8.939211 10.174644 7.638345 7.020355 6.981827 5.686973 7.040933 7.816087 5.638147 7.003420 7.762866 4.693516 5.437366 6.019547 5.348880 5.971372 4.644532 3.414228 2.154117 3.871856 1.086922 2.473785 3.399824 4.957014 2.156456 0.000000 7.954412 8.123641 8.721998 6.944230 6.553653 6.585410 5.105007 7.219362 7.051366 5.136323 7.252526 7.089345 4.691164 5.234325 4.586740 5.280266 4.620823 5.527531 3.415152 3.871210 2.151247 3.400284 4.959207 1.087327 2.468479 2.159750 4.303127 0.000000 9.637184 9.499309 10.396882 8.214688 7.669509 7.663150 6.169194 8.030276 8.315750 6.155987 8.025918 8.302788 5.424476 6.034929 6.051528 6.007661 6.036912 5.858294 3.906065 3.406564 3.406515 2.158073 4.301150 2.159873 4.298656 1.086605 2.488979 2.492167 0.000000 1.409345 2.335455 2.435831 2.376237 3.143232 3.231066 3.721210 4.107222 3.081915 3.787341 4.187229 3.201390 4.415872 4.649861 3.267918 4.738986 3.339115 5.133536 5.459758 6.801149 5.402954 7.863780 7.152833 6.686446 4.551569 7.819429 8.873066 6.940450 8.801303 0.000000 2.113514 3.361926 2.776533 3.398974 3.919796 4.233718 4.288133 4.951996 3.676370 4.565195 5.228907 4.187176 5.096162 5.121787 3.599002 5.512871 3.931457 5.921611 5.944202 7.327503 5.647886 8.271044 7.796963 6.822060 4.680318 8.056534 9.317958 6.914302 8.974857 1.088537 0.000000 2.141355 2.453404 3.285585 2.465349 3.594551 2.821469 4.090789 4.462652 3.811241 3.432267 3.821836 2.474304 4.412235 5.127132 3.726910 4.222165 2.947508 5.110439 5.444400 6.756538 5.415233 7.816574 7.093820 6.686334 4.603582 7.791294 8.812021 6.957570 8.770422 1.082353 1.837107 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.842,.7608,-.0271;3.5145,-.7664,.2477;4.5581,1.0336,-.9428;2.2147,-.7019,.1188;1.5912,-.4659,-1.2287;1.3691,-1.3675,1.1617;.1572,.0699,-1.1485;1.587,-1.4646,-1.7027;2.2383,.1633,-1.8458;-.0632,-.8119,1.2156;1.3452,-2.4364,.8852;1.8753,-1.3091,2.13;-.7189,-.7558,-.182;-.2913,.0674,-2.1484;.1959,1.1117,-.8181;-.6702,-1.4297,1.8872;-.0314,.1951,1.6432;-.7659,-1.7851,-.5695;-2.1378,-.22,-.1087;-3.2303,-1.0241,-.4532;-2.3871,1.0957,.3122;-4.5367,-.5334,-.3814;-3.0575,-2.0465,-.7826;-3.6895,1.5903,.386;-1.5542,1.7365,.5829;-4.7712,.7762,.0388;-5.3696,-1.176,-.6549;-3.8581,2.613,.7145;-5.7861,1.1604,.0952;2.9772,1.4197,.8697;3.0537,2.5055,.8681;2.8075,.964,1.8367; 1.4763147 0.2390625 0.2300093 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3273,4.0305,-.3052;1.6635,4.47,.4715;.0016,4.6605,-1.2643;2.3248,3.3558,.3265;2.8298,2.9239,-1.0228;3.0012,2.7671,1.5285;3.0616,1.4112,-1.1225;3.793,3.4536,-1.1381;2.1751,3.2981,-1.8143;3.2218,1.2505,1.4011;3.9762,3.279,1.6055;2.4371,3.032,2.4277;3.8917,.871,.0619;3.5674,1.1776,-2.0661;2.0863,.9159,-1.1493;3.8354,.8974,2.2376;2.2515,.7492,1.4773;4.8756,1.3638,.0317;4.1181,-.6268,-.0424;5.4123,-1.1554,-.1119;3.0338,-1.5177,-.0669;5.6234,-2.5334,-.2033;6.2657,-.4807,-.095;3.2392,-2.8944,-.1577;2.0211,-1.1297,-.0154;4.537,-3.4084,-.2264;6.6375,-2.921,-.2569;2.3841,-3.5656,-.1755;4.6981,-4.4806,-.2978;.0092,2.8183,.3319;-.8942,2.3282,-.0264;.2012,2.7346,1.3934; 0.000000 1.606825 0.000000 1.192834 2.410600 0.000000 2.200972 1.303744 3.103226 0.000000 2.828831 2.446234 3.327603 1.504160 0.000000 3.479687 2.409673 4.514624 1.499577 2.561852 0.000000 3.873582 3.721790 4.465563 2.534570 1.533551 2.978179 0.000000 3.610764 2.856385 3.980826 2.076141 1.105226 2.865100 2.169439 0.000000 2.495638 2.619171 2.623508 2.146824 1.093182 3.483998 2.196519 1.760339 0.000000 4.360977 3.695670 5.394646 2.528210 2.971409 1.537887 2.533726 3.409885 3.953075 0.000000 4.186936 2.837842 5.093318 2.090211 2.889431 1.103929 3.430372 2.755323 3.865172 2.173916 0.000000 3.594038 2.548162 4.713221 2.128960 3.474535 1.094113 3.952319 3.838163 4.258411 2.200837 1.762374 0.000000 4.777221 4.252704 5.590319 2.949495 2.553128 2.557125 1.543924 2.849457 3.515308 1.544673 2.861543 3.518916 0.000000 4.662379 4.572134 5.048591 3.466047 2.163768 3.970879 1.095817 2.468243 2.549191 3.485077 4.250195 4.991063 2.174281 0.000000 3.675186 3.929046 4.287328 2.861505 2.144957 3.381457 1.094177 3.058229 2.474884 2.811686 4.092094 4.170820 2.174504 1.761429 0.000000 5.346842 4.538713 6.412644 3.460934 3.968432 2.166709 3.486125 4.234578 4.993772 1.095861 2.468117 2.558880 2.176606 4.321135 3.811899 0.000000 4.200740 3.898924 5.279783 2.850276 3.363665 2.153298 2.802346 4.065729 4.163764 1.094865 3.064517 2.479707 2.169896 3.803992 2.636981 1.763189 0.000000 5.283114 4.489934 6.025192 3.249849 2.780432 2.778999 2.150551 2.628217 3.800172 2.150080 2.637037 3.803958 1.100783 2.479232 3.061903 2.483110 3.058327 0.000000 6.010770 5.680382 6.811315 4.383313 3.902333 3.903026 2.536995 4.237425 4.724356 2.531989 4.241608 4.723769 1.518419 2.766651 2.780889 2.757084 2.772557 2.131127 0.000000 7.265485 6.785189 8.026683 5.484134 4.913161 4.887716 3.624159 4.991766 5.762873 3.588177 4.967454 5.730206 2.539413 3.558826 4.053211 3.495791 4.017893 2.579714 1.399674 0.000000 6.177681 6.166037 6.985542 4.940507 4.547839 4.572262 3.113425 5.141716 5.194456 3.138932 5.166578 5.222893 2.541351 3.397908 2.826936 3.433038 2.852226 3.421215 1.403563 2.406328 0.000000 8.434677 8.073687 9.191451 6.770883 6.185283 6.162016 4.792499 6.329954 6.963651 4.760178 6.306301 6.931713 3.828750 4.633428 5.030300 4.574445 4.996998 3.975262 2.434554 1.397103 2.785057 0.000000 7.460542 6.783159 8.187682 5.516123 4.925180 4.882718 3.860263 4.762478 5.828224 3.807921 4.719030 5.775947 2.736367 3.730430 4.530949 3.639622 4.483169 2.313187 2.153194 1.088008 3.394289 2.153522 0.000000 7.513657 7.557367 8.293584 6.335337 5.896499 5.912094 4.415976 6.447092 6.497988 4.428354 6.462491 6.515393 3.827871 4.508952 4.102553 4.524472 4.113985 4.565746 2.434730 2.783629 1.394952 2.411839 3.871623 0.000000 5.438773 5.632196 6.258167 4.508784 4.254457 4.304540 2.960463 5.040470 4.781748 3.018810 5.087885 4.843696 2.740045 3.452481 2.339733 3.532200 2.410661 3.790443 2.156596 3.392601 1.085662 3.870694 4.294618 2.149011 0.000000 8.547768 8.415079 9.314183 7.138243 6.606550 6.601147 5.119428 6.962157 7.285391 5.107189 6.956452 7.275481 4.337402 5.035449 5.055406 5.010337 5.041008 4.791168 2.818988 2.419805 2.420710 1.395212 3.402513 1.397519 3.400950 0.000000 9.388504 8.938618 10.125664 7.637981 7.017675 6.983195 5.683722 7.035861 7.811241 5.640648 6.999412 7.764605 4.692615 5.431128 6.019268 5.353028 5.976215 4.641929 3.414201 2.154002 3.871947 1.086919 2.473772 3.399807 4.957595 2.156519 0.000000 7.870697 8.093797 8.633136 6.939917 6.559757 6.586967 5.111231 7.223634 7.059747 5.136384 7.249588 7.092846 4.691824 5.241397 4.595753 5.277122 4.622467 5.527179 3.414866 3.870822 2.151295 3.399948 4.958825 1.087227 2.468038 2.159201 4.302707 0.000000 9.567790 9.482342 10.322370 8.211740 7.670906 7.664500 6.170260 8.029756 8.317067 6.157204 8.022233 8.305441 5.424013 6.034935 6.055490 6.007985 6.040546 5.856409 3.905600 3.406169 3.406220 2.157995 4.300901 2.159633 4.298216 1.086612 2.489012 2.491335 0.000000 1.405817 2.341811 2.437521 2.377164 3.130884 3.222796 3.662252 4.108708 3.086672 3.731261 4.191855 3.214449 4.351857 4.593794 3.182354 4.686280 3.258957 5.087942 5.375130 6.721633 5.301711 7.774769 7.085879 6.580902 4.444702 7.719107 8.787544 6.830275 8.698109 0.000000 2.113665 3.372996 2.788326 3.397453 3.900802 4.217166 4.205980 4.946941 3.682141 4.487862 5.223840 4.197092 5.003590 5.038826 3.484052 5.435223 3.827435 5.850085 5.818524 7.205130 5.497386 8.132998 7.691469 6.661662 4.522838 7.902265 9.183314 6.745835 8.815161 1.088489 0.000000 2.140178 2.449420 3.288193 2.456341 3.575394 2.803415 4.032640 4.452646 3.808260 3.365509 3.819947 2.481403 4.343394 5.071768 3.650467 4.158705 2.855187 5.057911 5.357422 6.674743 5.313876 7.726643 7.023600 6.581846 4.497677 7.691444 8.725500 6.849736 8.668388 1.081937 1.838721 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7984,.8065,-.0211;3.5208,-.7505,.2626;4.5086,1.0932,-.9355;2.2256,-.7272,.1151;1.6029,-.5005,-1.2352;1.378,-1.4008,1.1527;.1728,.0471,-1.154;1.5891,-1.5019,-1.7028;2.2526,.1214,-1.8567;-.0501,-.8331,1.2115;1.3425,-2.4664,.8663;1.8851,-1.354,2.121;-.7083,-.7698,-.1845;-.2783,.0482,-2.1526;.2228,1.0887,-.8226;-.6611,-1.4458,1.884;-.0079,.1736,1.6397;-.7646,-1.7987,-.5718;-2.1229,-.2232,-.1085;-3.2207,-1.0179,-.4582;-2.3633,1.0919,.3191;-4.5236,-.5188,-.3849;-3.0546,-2.0397,-.7928;-3.6622,1.5949,.3945;-1.5266,1.7266,.5941;-4.7491,.7902,.0422;-5.3607,-1.1541,-.6623;-3.8245,2.6168,.7281;-5.7613,1.1812,.0999;2.8996,1.4255,.8651;2.9192,2.5138,.8618;2.7304,.9604,1.8272; 1.4522010 0.2420253 0.2321406 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.3113,3.9799,-.3164;1.6472,4.4672,.4776;-.0187,4.5986,-1.2798;2.3326,3.3719,.3305;2.8466,2.944,-1.018;3.0133,2.7831,1.5314;3.0686,1.4294,-1.1206;3.8142,3.4664,-1.126;2.1985,3.3239,-1.812;3.2216,1.2643,1.4039;3.9934,3.2854,1.6026;2.4553,3.0529,2.433;3.8907,.8809,.0656;3.5754,1.1932,-2.0629;2.0889,.9416,-1.1499;3.8301,.9046,2.2412;2.2463,.7713,1.4773;4.8779,1.367,.0386;4.1081,-.6181,-.0404;5.3997,-1.1526,-.1149;3.0197,-1.5039,-.0621;5.6043,-2.5312,-.2085;6.2561,-.4817,-.1002;3.2186,-2.8813,-.1551;2.0082,-1.1122,-.0067;4.5136,-3.401,-.2288;6.6163,-2.9235,-.266;2.3608,-3.5489,-.1708;4.6695,-4.4739,-.302;.0392,2.763,.3256;-.8362,2.2267,-.0363;.2361,2.6874,1.3864; 0.000000 1.628655 0.000000 1.191553 2.424993 0.000000 2.207688 1.300447 3.102630 0.000000 2.827219 2.448553 3.319072 1.505178 0.000000 3.485374 2.411037 4.515752 1.500784 2.559911 0.000000 3.841126 3.715176 4.427232 2.533839 1.534184 2.978047 0.000000 3.631742 2.875601 3.999552 2.079762 1.104890 2.858394 2.169147 0.000000 2.495733 2.617817 2.612286 2.147163 1.093080 3.483502 2.196427 1.760998 0.000000 4.336292 3.687168 5.368313 2.526719 2.971063 1.538326 2.534462 3.405997 3.953529 0.000000 4.209814 2.857754 5.111640 2.093768 2.880782 1.103576 3.422817 2.740473 3.857726 2.172608 0.000000 3.607672 2.544972 4.721693 2.130097 3.474753 1.094028 3.954681 3.831966 4.261328 2.201200 1.763285 0.000000 4.749951 4.250263 5.560122 2.950065 2.553554 2.556752 1.543959 2.847919 3.515300 1.544585 2.855652 3.518870 0.000000 4.633637 4.570677 5.012778 3.466898 2.165240 3.970259 1.095753 2.470207 2.549302 3.485499 4.241188 4.992581 2.174256 0.000000 3.617478 3.908168 4.222929 2.856079 2.145023 3.381597 1.094766 3.058054 2.475115 2.812208 4.086140 4.174775 2.174254 1.762572 0.000000 5.327334 4.535117 6.391852 3.461301 3.968404 2.167846 3.486649 4.230952 4.994312 1.095799 2.470373 2.557710 2.176552 4.321238 3.812106 0.000000 4.154153 3.875347 5.232632 2.843570 3.362667 2.153781 2.803280 4.061941 4.163889 1.095251 3.064145 2.482506 2.170034 3.804973 2.637406 1.763419 0.000000 5.273218 4.499010 6.013115 3.253151 2.780139 2.776764 2.149688 2.625854 3.799087 2.148932 2.628440 3.800514 1.100706 2.478453 3.061301 2.482536 3.057776 0.000000 5.969412 5.673181 6.766175 4.382936 3.903297 3.903547 2.537698 4.236539 4.724944 2.532863 4.236789 4.725010 1.518402 2.766810 2.782200 2.757102 2.774926 2.130635 0.000000 7.230096 6.783347 7.986965 5.484136 4.910734 4.888213 3.621048 4.987056 5.759038 3.590552 4.962184 5.731209 2.538589 3.553175 4.051838 3.499528 4.022441 2.577620 1.399745 0.000000 6.121414 6.150484 6.924956 4.939528 4.552680 4.573555 3.118787 5.144543 5.200405 3.138845 5.162979 5.225693 2.542015 3.403859 2.833671 3.429640 2.853790 3.421216 1.403402 2.406306 0.000000 8.391786 8.068903 9.143309 6.770595 6.183669 6.163017 4.790434 6.325925 6.960834 4.762696 6.301484 6.933689 3.828046 4.628836 5.030306 4.577550 5.002473 3.973031 2.434489 1.396894 2.785133 0.000000 7.435971 6.787316 8.159311 5.516293 4.919601 4.882306 3.854101 4.754242 5.820427 3.810414 4.712829 5.775488 2.734832 3.720697 4.526909 3.645462 4.487433 2.310112 2.153167 1.088012 3.394179 2.153383 0.000000 7.453453 7.541192 8.227620 6.334241 5.900530 5.913709 4.420001 6.449012 6.503100 4.429023 6.458955 6.518857 3.828072 4.513100 4.108477 4.522093 4.117214 4.564922 2.434356 2.783335 1.394808 2.411813 3.871334 0.000000 5.376261 5.611942 6.192086 4.508369 4.263536 4.306885 2.970624 5.047510 4.793142 3.018184 5.086207 4.847647 2.742487 3.463941 2.351819 3.526995 2.409630 3.792540 2.157505 3.393440 1.086140 3.871241 4.295470 2.148712 0.000000 8.493810 8.403809 9.254206 7.137335 6.607602 6.602490 5.120175 6.960960 7.286351 5.108843 6.952219 7.278388 4.336962 5.034938 5.058178 5.010666 5.045761 4.789386 2.818565 2.419407 2.420482 1.395181 3.402221 1.397348 3.400795 0.000000 9.349470 8.936849 10.081327 7.637899 7.014505 6.984099 5.680187 7.030064 7.806236 5.643622 6.994435 7.766311 4.691707 5.424279 6.018055 5.357562 5.982271 4.639325 3.414190 2.153888 3.872021 1.086917 2.473751 3.399786 4.958142 2.156581 0.000000 7.804141 8.073895 8.560042 6.938986 6.565920 6.589252 5.117287 7.227654 7.067954 5.136892 7.246984 7.097396 4.692504 5.248139 4.603996 5.273593 4.625329 5.526833 3.414609 3.870437 2.151349 3.399616 4.958445 1.087133 2.467619 2.158668 4.302300 0.000000 9.511071 9.470220 10.258928 8.210792 7.672045 7.666067 6.171056 8.028596 8.318171 6.159007 8.018220 8.308755 5.423580 6.034371 6.058479 6.008403 6.045629 5.854542 3.905182 3.405789 3.405939 2.157923 4.300658 2.159404 4.297793 1.086618 2.489049 2.490533 0.000000 1.402538 2.348018 2.439324 2.372901 3.117645 3.209365 3.612084 4.105223 3.089800 3.679158 4.187996 3.219137 4.294674 4.546919 3.113871 4.636155 3.188221 5.044215 5.303031 6.652852 5.219179 7.699641 7.025648 6.495961 4.359364 7.636937 8.714635 6.743627 8.614290 0.000000 2.113959 3.383945 2.800123 3.389285 3.878291 4.193590 4.130184 4.934603 3.683275 4.411977 5.208794 4.196915 4.915802 4.963641 3.383486 5.358076 3.729757 5.778850 5.704308 7.093054 5.365229 8.009196 7.592122 6.522793 4.386252 7.767142 9.061849 6.602770 8.676453 1.088503 0.000000 2.139027 2.446344 3.290257 2.445139 3.558271 2.782661 3.986249 4.440894 3.805988 3.307348 3.810705 2.480728 4.285343 5.028045 3.593534 4.101945 2.778648 5.010585 5.287232 6.607705 5.235779 7.654775 6.963751 6.502470 4.417888 7.614145 8.655635 6.769889 8.590117 1.081492 1.840115 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7617,.8451,-.0158;3.5268,-.7407,.2718;4.4645,1.1453,-.9301;2.2362,-.7457,.1118;1.6131,-.525,-1.2405;1.3865,-1.4263,1.1448;.1857,.0313,-1.1579;1.5917,-1.5275,-1.7044;2.2643,.092,-1.865;-.0378,-.8485,1.2084;1.3411,-2.4887,.8497;1.8944,-1.3901,2.1131;-.6986,-.7794,-.186;-.2677,.0349,-2.1555;.2434,1.0728,-.8258;-.652,-1.4568,1.8819;.013,.158,1.6371;-.7614,-1.8078,-.5732;-2.1102,-.2255,-.1079;-3.2111,-1.0134,-.4635;-2.3453,1.0881,.3266;-4.5117,-.5091,-.3894;-3.0488,-2.0342,-.8034;-3.642,1.5963,.4028;-1.5064,1.7187,.6067;-4.7318,.7985,.0445;-5.3512,-1.1392,-.6714;-3.8008,2.617,.7417;-5.7422,1.1938,.1029;2.8353,1.4237,.864;2.8001,2.5116,.8599;2.6707,.9478,1.8212; 1.4336019 0.2445052 0.2339543 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.299,3.9515,-.3251;1.6441,4.4725,.4786;-.0349,4.5626,-1.2901;2.3346,3.3825,.3317;2.8566,2.9556,-1.0156;3.0156,2.7915,1.5333;3.0722,1.4398,-1.1195;3.8271,3.4728,-1.1183;2.2142,3.3387,-1.8126;3.2178,1.2717,1.4058;3.998,3.2887,1.6034;2.4597,3.0633,2.4355;3.888,.8862,.0688;3.581,1.2018,-2.0603;2.0902,.956,-1.1514;3.823,.9086,2.244;2.2402,.7822,1.477;4.8769,1.3687,.045;4.1008,-.6134,-.0386;5.3912,-1.1502,-.1182;3.0108,-1.497,-.0574;5.593,-2.529,-.2139;6.2488,-.4809,-.1057;3.2069,-2.8746,-.1526;1.9995,-1.1042,.0018;4.5006,-3.3966,-.2313;6.6041,-2.9231,-.2753;2.3481,-3.5409,-.166;4.6541,-4.4697,-.306;.0659,2.7329,.3241;-.7832,2.1572,-.0402;.2632,2.6691,1.3851; 0.000000 1.651309 0.000000 1.189991 2.440416 0.000000 2.213308 1.298621 3.104425 0.000000 2.830134 2.450237 3.319446 1.506628 0.000000 3.489889 2.412275 4.518203 1.502306 2.559124 0.000000 3.824967 3.713603 4.408578 2.534622 1.534593 2.977915 0.000000 3.647679 2.883543 4.016529 2.082842 1.104504 2.855453 2.168619 0.000000 2.501155 2.619177 2.613310 2.148136 1.093034 3.483810 2.196018 1.761151 0.000000 4.323964 3.685274 5.355190 2.527691 2.971394 1.538510 2.535115 3.403998 3.954490 0.000000 4.223884 2.864846 5.124424 2.095947 2.876244 1.103274 3.419021 2.733225 3.854038 2.171660 0.000000 3.616445 2.545687 4.727701 2.131570 3.475528 1.094030 3.955927 3.829763 4.264121 2.201094 1.763466 0.000000 4.736240 4.250252 5.545435 2.951923 2.553838 2.556635 1.543997 2.846644 3.515119 1.544529 2.852950 3.518742 0.000000 4.619849 4.571119 4.996319 3.468549 2.166113 3.970045 1.095728 2.470903 2.548704 3.485846 4.236955 4.993526 2.174145 0.000000 3.586660 3.901532 4.188457 2.854367 2.145763 3.381350 1.095217 3.058153 2.475857 2.812585 4.082932 4.176545 2.173873 1.763259 0.000000 5.317724 4.534912 6.381629 3.463004 3.968510 2.168479 3.487007 4.228475 4.994981 1.095771 2.470984 2.556942 2.176353 4.321117 3.812344 0.000000 4.130434 3.869163 5.208135 2.842906 3.364011 2.154463 2.804761 4.061148 4.166284 1.095544 3.064016 2.483985 2.170038 3.806138 2.638461 1.763356 0.000000 5.269213 4.502470 6.009097 3.255895 2.779305 2.775600 2.148925 2.623404 3.797562 2.148045 2.624372 3.798597 1.100643 2.477799 3.060627 2.481583 3.057253 0.000000 5.947640 5.671815 6.742569 4.384529 3.903919 3.904121 2.538144 4.235298 4.725039 2.533715 4.234727 4.725751 1.518405 2.766387 2.782846 2.757527 2.776090 2.130280 0.000000 7.211132 6.783177 7.965710 5.485495 4.907874 4.889583 3.617791 4.981839 5.754561 3.593314 4.960683 5.733121 2.537995 3.546957 4.049728 3.503977 4.025840 2.576072 1.399807 0.000000 6.091967 6.147393 6.893155 4.941498 4.557169 4.574048 3.123590 5.146921 5.205743 3.138389 5.160964 5.226349 2.542594 3.408918 2.839333 3.426813 2.853613 3.421270 1.403286 2.406236 0.000000 8.368699 8.068076 9.117149 6.772036 6.181515 6.164695 4.788059 6.321183 6.957151 4.765541 6.300128 6.936188 3.827555 4.623444 5.029272 4.581634 5.006430 3.971379 2.434471 1.396735 2.785136 0.000000 7.422560 6.788271 8.144033 5.517095 4.913712 4.883512 3.848072 4.745683 5.812167 3.813609 4.711326 5.777254 2.733668 3.710724 4.522449 3.651921 4.491031 2.307796 2.153132 1.088013 3.394046 2.153271 0.000000 7.421653 7.537923 8.192400 6.336121 5.904106 5.914680 4.423452 6.450291 6.507389 4.429465 6.457158 6.520334 3.828305 4.516257 4.113150 4.520581 4.118508 4.564363 2.434122 2.783095 1.394690 2.411770 3.871095 0.000000 5.344027 5.608311 6.157982 4.511249 4.272164 4.307487 2.979899 5.054023 4.803886 3.016630 5.084899 4.847941 2.744453 3.474339 2.362717 3.521909 2.406802 3.794231 2.158217 3.394059 1.086522 3.871620 4.296108 2.148450 0.000000 8.464977 8.401516 9.221735 7.138918 6.608160 6.603892 5.120495 6.959046 7.286428 5.110610 6.950619 7.280582 4.336709 5.033507 5.059770 5.012069 5.048727 4.788103 2.818308 2.419111 2.420286 1.395155 3.401998 1.397211 3.400647 0.000000 9.328245 8.936671 10.056940 7.639198 7.010750 6.986042 5.676392 7.023484 7.800302 5.647066 6.993336 7.769243 4.691049 5.416671 6.015823 5.363124 5.986902 4.637375 3.414207 2.153801 3.872024 1.086917 2.473725 3.399746 4.958522 2.156619 0.000000 7.769208 8.070079 8.521154 6.941297 6.571541 6.590371 5.122606 7.230931 7.075208 5.136925 7.245429 7.099001 4.693103 5.253779 4.610838 5.270831 4.626076 5.526638 3.414459 3.870130 2.151399 3.399344 4.958138 1.087063 2.467258 2.158252 4.301969 0.000000 9.480686 9.467755 10.224376 8.212410 7.672638 7.667663 6.171387 8.026617 8.318291 6.160920 8.016771 8.311281 5.423332 6.032837 6.060216 6.009963 6.048844 5.853197 3.904931 3.405514 3.405708 2.157880 4.300479 2.159226 4.297436 1.086623 2.489084 2.489910 0.000000 1.400304 2.353909 2.442053 2.359824 3.103541 3.188457 3.576840 4.095624 3.089857 3.638568 4.172146 3.208946 4.252457 4.514995 3.071159 4.596693 3.140366 5.008397 5.254484 6.605462 5.168171 7.650157 6.981482 6.444875 4.308799 7.585801 8.665818 6.693962 8.563008 0.000000 2.114720 3.394399 2.812184 3.370515 3.851895 4.160454 4.067447 4.914082 3.677197 4.345434 5.180913 4.179287 4.842241 4.903081 3.306694 5.290906 3.651526 5.715397 5.615183 7.004868 5.267676 7.914950 7.510891 6.422801 4.287433 7.668050 8.968649 6.503044 8.576154 1.088660 0.000000 2.137932 2.445591 3.291024 2.430874 3.545561 2.759112 3.959171 4.428788 3.805244 3.268430 3.792149 2.466418 4.248603 5.003184 3.564649 4.063159 2.734502 4.977263 5.246844 6.568355 5.194901 7.614712 6.926239 6.462385 4.377930 7.573673 8.616053 6.731822 8.549998 1.081095 1.840786 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7418,.8717,-.0128;3.5329,-.7414,.2722;4.44,1.182,-.9251;2.2445,-.7538,.1095;1.6188,-.5379,-1.2439;1.3929,-1.437,1.1414;.1929,.0232,-1.1599;1.5924,-1.5411,-1.7051;2.2697,.076,-1.8717;-.0298,-.8551,1.2078;1.3429,-2.4979,.843;1.9011,-1.4055,2.1098;-.6924,-.7836,-.1856;-.2626,.0275,-2.1564;.2543,1.065,-.8277;-.6451,-1.4615,1.882;.0242,.1514,1.6369;-.7582,-1.812,-.5721;-2.1028,-.2267,-.1066;-3.2043,-1.0109,-.4686;-2.3366,1.0851,.3337;-4.5041,-.5048,-.395;-3.043,-2.0303,-.8131;-3.6325,1.5951,.4094;-1.4975,1.7137,.6189;-4.7227,.801,.0448;-5.3441,-1.132,-.682;-3.7907,2.6143,.7528;-5.7326,1.1979,.1029;2.7938,1.4137,.8638;2.7105,2.4992,.8588;2.6393,.9297,1.8181; 1.4236889 0.2458642 0.2349676 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2869,3.8996,-.3372;1.6291,4.4696,.4839;-.0502,4.4993,-1.3065;2.3407,3.3975,.3357;2.8723,2.9749,-1.0101;3.0253,2.806,1.5364;3.0765,1.4574,-1.1168;3.8471,3.4849,-1.1056;2.2366,3.3642,-1.8095;3.218,1.2848,1.4088;4.0113,3.2962,1.6025;2.4737,3.0814,2.4401;3.8861,.8958,.0718;3.5837,1.2154,-2.0574;2.0894,.9824,-1.1486;3.8199,.9163,2.2469;2.2367,.8017,1.4788;4.878,1.3723,.0498;4.0907,-.6048,-.0372;5.3786,-1.1469,-.1215;2.9971,-1.4837,-.0532;5.5745,-2.5262,-.2191;6.239,-.481,-.1112;3.1872,-2.8618,-.1503;1.9869,-1.0876,.0096;4.4783,-3.389,-.2337;6.5838,-2.9244,-.284;2.3261,-3.5249,-.1616;4.627,-4.4627,-.3098;.0988,2.6794,.3173;-.7191,2.0619,-.0502;.2972,2.6264,1.3783; 0.000000 1.673464 0.000000 1.188647 2.454883 0.000000 2.218748 1.295314 3.102808 0.000000 2.826952 2.451831 3.309465 1.507401 0.000000 3.493601 2.413484 4.517597 1.503446 2.556746 0.000000 3.788601 3.705465 4.366397 2.532778 1.534923 2.976793 0.000000 3.665674 2.900963 4.032224 2.086641 1.104285 2.848911 2.168994 0.000000 2.501090 2.617315 2.602137 2.147942 1.092965 3.482656 2.195707 1.761732 0.000000 4.298426 3.677371 5.327938 2.526757 2.971044 1.538705 2.535436 3.399694 3.955283 0.000000 4.242341 2.881524 5.138679 2.099058 2.868208 1.103039 3.413215 2.719639 3.846557 2.170862 0.000000 3.628353 2.543137 4.734763 2.132196 3.474808 1.093949 3.956313 3.823727 4.265596 2.201200 1.764032 0.000000 4.705760 4.246896 5.511805 2.952340 2.553683 2.556395 1.543958 2.844446 3.514728 1.544417 2.849688 3.518598 0.000000 4.586084 4.568165 4.955104 3.468879 2.167679 3.969571 1.095651 2.475034 2.548231 3.486078 4.231753 4.994130 2.174186 0.000000 3.523797 3.877797 4.119665 2.845810 2.145264 3.377999 1.095846 3.058346 2.476205 2.811583 4.076246 4.175157 2.173701 1.764350 0.000000 5.297088 4.531411 6.359427 3.463645 3.967900 2.169573 3.487171 4.223420 4.995344 1.095712 2.472968 2.556714 2.176247 4.321168 3.811603 0.000000 4.086047 3.848668 5.163295 2.838184 3.364736 2.154657 2.805790 4.058513 4.168830 1.096003 3.063803 2.485349 2.170090 3.806588 2.637684 1.763455 0.000000 5.254991 4.509701 5.992118 3.258999 2.777584 2.774568 2.147960 2.619284 3.794964 2.147124 2.619891 3.796753 1.100572 2.477924 3.060086 2.480919 3.056833 0.000000 5.903219 5.663972 6.694049 4.384016 3.904558 3.904505 2.539072 4.233888 4.725648 2.534370 4.232347 4.726474 1.518387 2.766091 2.785580 2.757637 2.777444 2.129793 0.000000 7.172066 6.780149 7.921881 5.485351 4.905194 4.890021 3.615650 4.976637 5.750802 3.594877 4.958115 5.733972 2.537213 3.542595 4.050625 3.506578 4.028656 2.574103 1.399880 0.000000 6.033678 6.132035 6.830315 4.940437 4.561871 4.574912 3.128520 5.149410 5.212029 3.138600 5.159230 5.227867 2.543245 3.412591 2.846982 3.424625 2.854595 3.421237 1.403133 2.406194 0.000000 8.322408 8.062341 9.065173 6.771610 6.179803 6.165442 4.786954 6.316806 6.954684 4.767247 6.297781 6.937640 3.826892 4.619744 5.031873 4.583782 5.009910 3.969269 2.434425 1.396538 2.785191 0.000000 7.393736 6.790696 8.110888 5.517126 4.907786 4.883308 3.843208 4.736851 5.804219 3.815065 4.708139 5.777259 2.732204 3.703552 4.520686 3.655864 4.493565 2.304926 2.153108 1.088018 3.393925 2.153137 0.000000 7.359564 7.521963 8.124293 6.334944 5.908154 5.915747 4.427437 6.451996 6.513097 4.430132 6.455446 6.522337 3.828524 4.518611 4.120661 4.519027 4.120601 4.563563 2.433790 2.782811 1.394559 2.411737 3.870817 0.000000 5.280294 5.588842 6.090548 4.510773 4.281082 4.309294 2.988803 5.060740 4.815591 3.016870 5.084614 4.850211 2.746810 3.482204 2.374155 3.518736 2.406355 3.796192 2.159069 3.394828 1.086959 3.872105 4.296898 2.148137 0.000000 8.408438 8.389927 9.158831 7.137916 6.609248 6.604784 5.121808 6.957634 7.287990 5.111802 6.948518 7.282401 4.336321 5.032589 5.064891 5.012297 5.051740 4.786416 2.817940 2.418743 2.420073 1.395129 3.401727 1.397048 3.400473 0.000000 9.285451 8.933644 10.008343 7.638963 7.007483 6.986746 5.674063 7.017333 7.795628 5.649025 6.990915 7.770642 4.690187 5.411422 6.017446 5.366219 5.990754 4.634917 3.414210 2.153693 3.872078 1.086915 2.473698 3.399718 4.959007 2.156677 0.000000 7.701451 8.050794 8.446663 6.940266 6.577762 6.591941 5.128311 7.234784 7.084110 5.137611 7.244317 7.101678 4.693767 5.258009 4.620225 5.268538 4.628073 5.526275 3.414229 3.869763 2.151450 3.399033 4.957776 1.086976 2.466815 2.157759 4.301590 0.000000 9.421529 9.455376 10.158156 8.211366 7.673883 7.668703 6.172802 8.025302 8.320125 6.162212 8.014804 8.313368 5.422950 6.031895 6.065677 6.010227 6.052080 5.851429 3.904569 3.405164 3.405449 2.157820 4.300255 2.159013 4.297010 1.086629 2.489124 2.489171 0.000000 1.397333 2.361008 2.443529 2.354161 3.088919 3.172862 3.523708 4.089380 3.092314 3.586858 4.164114 3.210632 4.193505 4.463925 2.998529 4.547353 3.073299 4.961950 5.181417 6.535261 5.086155 7.574245 6.919081 6.361008 4.224873 7.503965 8.591807 6.609390 8.479876 0.000000 2.114583 3.405321 2.822495 3.360820 3.827957 4.134259 3.988728 4.897873 3.678010 4.270040 5.160587 4.175508 4.752197 4.822831 3.203126 5.214565 3.558439 5.640354 5.499673 6.890894 5.136349 7.790337 7.408499 6.285965 4.152754 7.533933 8.845947 6.363880 8.439216 1.088711 0.000000 2.136401 2.443705 3.291931 2.420290 3.529497 2.738669 3.913678 4.416885 3.803698 3.214334 3.780701 2.464103 4.193171 4.959440 3.507145 4.011016 2.664768 4.931728 5.180276 6.504477 5.121696 7.546582 6.868747 6.388235 4.303702 7.501028 8.549618 6.657801 8.476607 1.080726 1.841724 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.702,.9092,-.0075;3.5389,-.7312,.2801;4.392,1.2333,-.9194;2.2558,-.7695,.1064;1.6297,-.5593,-1.2486;1.4021,-1.4602,1.1333;.2072,.0111,-1.1621;1.5961,-1.5633,-1.7071;2.2823,.0502,-1.8788;-.0178,-.8717,1.2041;1.3456,-2.5184,.827;1.9108,-1.4377,2.1016;-.6817,-.792,-.1881;-.2505,.022,-2.1575;.2775,1.0516,-.8255;-.6358,-1.4761,1.8773;.0424,.1338,1.6362;-.7529,-1.8191,-.577;-2.0895,-.229,-.1066;-3.1935,-1.007,-.4752;-2.3191,1.0806,.3417;-4.4913,-.4968,-.4002;-3.0351,-2.0247,-.8259;-3.6131,1.5947,.4188;-1.4785,1.7054,.6325;-4.7056,.807,.0477;-5.3332,-1.1191,-.6923;-3.7686,2.6121,.7684;-5.7141,1.2072,.107;2.7296,1.4089,.8628;2.5935,2.489,.8568;2.5839,.915,1.813; 1.4068001 0.2484630 0.2368797 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2806,3.891,-.3437;1.6371,4.481,.4813;-.0562,4.4844,-1.3153;2.339,3.4032,.3352;2.876,2.9786,-1.0094;3.0205,2.8074,1.5375;3.0763,1.4604,-1.1161;3.8527,3.485,-1.1018;2.2447,3.3696,-1.8114;3.2107,1.286,1.4099;4.0073,3.2952,1.6059;2.4683,3.0834,2.4407;3.8815,.8965,.0745;3.5852,1.2169,-2.0554;2.0883,.9868,-1.1498;3.8097,.9157,2.2493;2.2285,.8037,1.4774;4.8737,1.3724,.0556;4.0861,-.604,-.0356;5.3743,-1.1447,-.1254;2.9934,-1.484,-.0485;5.5713,-2.5236,-.2251;6.2339,-.4779,-.1176;3.1846,-2.8617,-.1476;1.9825,-1.0895,.0184;4.4758,-3.3874,-.2364;6.5806,-2.9207,-.2942;2.3243,-3.5259,-.1563;4.6253,-4.4609,-.3141;.1178,2.674,.3202;-.679,2.0293,-.0477;.3122,2.6342,1.3822; 0.000000 1.693774 0.000000 1.187204 2.468786 0.000000 2.221757 1.294495 3.103241 0.000000 2.830583 2.452433 3.310408 1.508855 0.000000 3.495735 2.414574 4.518438 1.504926 2.556723 0.000000 3.784300 3.707733 4.358526 2.534657 1.535087 2.976439 0.000000 3.674208 2.899539 4.040258 2.088754 1.103987 2.849145 2.168375 0.000000 2.506810 2.619345 2.604428 2.148956 1.093003 3.483245 2.195498 1.761339 0.000000 4.294937 3.680520 5.322427 2.529259 2.971520 1.538520 2.535606 3.399474 3.956184 0.000000 4.247895 2.879047 5.143883 2.099872 2.867032 1.102890 3.412107 2.718793 3.845819 2.170158 0.000000 3.631950 2.546236 4.737388 2.133535 3.475671 1.093994 3.956584 3.824547 4.267571 2.200914 1.763578 0.000000 4.701994 4.248696 5.505421 2.954771 2.553631 2.555996 1.543994 2.843374 3.514565 1.544348 2.848574 3.518262 0.000000 4.582770 4.569963 4.948159 3.471007 2.168119 3.969538 1.095639 2.474897 2.547730 3.486130 4.231107 4.994559 2.174112 0.000000 3.514589 3.882490 4.106015 2.847330 2.146559 3.377152 1.096218 3.058832 2.477970 2.810930 4.074935 4.175112 2.173184 1.764596 0.000000 5.294412 4.534016 6.355040 3.466155 3.968179 2.169812 3.487194 4.222913 4.996024 1.095698 2.472786 2.556326 2.176031 4.320992 3.810781 0.000000 4.079433 3.855389 5.154167 2.841473 3.366521 2.155359 2.806467 4.059475 4.171354 1.096282 3.063952 2.486398 2.170044 3.806771 2.637251 1.763151 0.000000 5.253490 4.507747 5.988885 3.259827 2.775706 2.772964 2.147326 2.616277 3.792864 2.146418 2.617412 3.794941 1.100532 2.477973 3.059395 2.480477 3.056419 0.000000 5.897601 5.667592 6.684834 4.387149 3.904786 3.904814 2.539425 4.232104 4.725842 2.535342 4.231287 4.727119 1.518357 2.765061 2.786215 2.757994 2.778750 2.129470 0.000000 7.166029 6.781094 7.911524 5.487107 4.901489 4.891282 3.612299 4.970199 5.745974 3.598156 4.957652 5.736367 2.536711 3.535894 4.048484 3.511708 4.032506 2.572826 1.399937 0.000000 6.028031 6.140125 6.820993 4.945700 4.566392 4.575138 3.133071 5.151548 5.217872 3.137980 5.157986 5.228013 2.543732 3.416484 2.852500 3.421169 2.854276 3.421269 1.403043 2.406100 0.000000 8.315782 8.064778 9.053594 6.774057 6.176839 6.167051 4.784399 6.310688 6.950684 4.770612 6.297307 6.940647 3.826487 4.613545 5.030748 4.588500 5.014335 3.967905 2.434442 1.396413 2.785163 0.000000 7.387869 6.788214 8.100836 5.517045 4.900811 4.884505 3.837215 4.726854 5.795337 3.818978 4.707851 5.779876 2.731228 3.693579 4.516272 3.663447 4.497760 2.303022 2.153070 1.088017 3.393783 2.153042 0.000000 7.353313 7.530323 8.113632 6.340138 5.911627 5.916541 4.430616 6.452697 6.517776 4.430613 6.454341 6.523527 3.828745 4.520466 4.125174 4.517167 4.121935 4.563112 2.433648 2.782612 1.394473 2.411692 3.870618 0.000000 5.275687 5.600344 6.082970 4.517947 4.290027 4.309402 2.997602 5.067386 4.827097 3.014610 5.083815 4.849353 2.748411 3.491202 2.384677 3.512342 2.402800 3.797543 2.159610 3.395274 1.087253 3.872365 4.297362 2.147912 0.000000 8.401636 8.395580 9.147040 7.141809 6.609354 6.606115 5.121918 6.954672 7.288119 5.113923 6.947694 7.284790 4.336146 5.030045 5.066387 5.013912 5.055044 4.785378 2.817796 2.418519 2.419919 1.395110 3.401553 1.396942 3.400340 0.000000 9.278646 8.934529 9.996274 7.640653 7.002709 6.988665 5.670096 7.009078 7.789149 5.653108 6.990687 7.774334 4.689634 5.403123 6.015124 5.372681 5.995956 4.633298 3.414246 2.153622 3.872050 1.086915 2.473665 3.399678 4.959268 2.156707 0.000000 7.695653 8.061627 8.436518 6.946575 6.583418 6.592793 5.133257 7.237602 7.091880 5.137481 7.243275 7.102681 4.694280 5.262159 4.626791 5.265127 4.628634 5.526115 3.414147 3.869515 2.151501 3.398816 4.957527 1.086924 2.466511 2.157439 4.301333 0.000000 9.414483 9.461511 10.145783 8.215431 7.673999 7.670242 6.172900 8.022156 8.320275 6.164495 8.014056 8.316129 5.422780 6.029176 6.067305 6.012024 6.055652 5.850337 3.904429 3.404958 3.405273 2.157795 4.300118 2.158880 4.296715 1.086634 2.489160 2.488697 0.000000 1.395814 2.366313 2.445889 2.337954 3.077136 3.150452 3.505583 4.077933 3.090592 3.560896 4.143349 3.192007 4.169615 4.448589 2.981731 4.521447 3.048287 4.937872 5.159397 6.512448 5.068945 7.553329 6.894439 6.345771 4.210960 7.486235 8.570152 6.598138 8.463318 0.000000 2.115216 3.413883 2.832281 3.338051 3.803189 4.099286 3.945592 4.875057 3.668156 4.219754 5.128141 4.148271 4.700668 4.782717 3.155853 5.163769 3.504439 5.592300 5.444287 6.835364 5.082304 7.734705 7.353837 6.233756 4.100569 7.479903 8.790102 6.316059 8.386289 1.088923 0.000000 2.135240 2.444919 3.291681 2.407460 3.523074 2.718299 3.906449 4.407915 3.804614 3.196829 3.760445 2.443555 4.179714 4.953674 3.504268 3.992239 2.651789 4.915204 5.170944 6.494461 5.118157 7.539521 6.855777 6.387236 4.303020 7.497757 8.541768 6.660591 8.474782 1.080396 1.841968 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.6963,.9233,-.0067;3.5449,-.7402,.2739;4.3805,1.2531,-.9191;2.2617,-.7696,.1054;1.6314,-.5613,-1.2496;1.4061,-1.4589,1.1338;.2098,.011,-1.1613;1.595,-1.5654,-1.7071;2.2831,.0465,-1.8825;-.0133,-.8698,1.2059;1.3481,-2.5169,.8277;1.9152,-1.4374,2.1018;-.6786,-.7906,-.1856;-.2498,.0222,-2.1559;.2806,1.0518,-.8245;-.6313,-1.4733,1.8801;.0468,.1361,1.6376;-.7493,-1.8181,-.5735;-2.0869,-.2288,-.1046;-3.1889,-1.0061,-.4805;-2.3193,1.0784,.349;-4.4874,-.4978,-.4075;-3.0283,-2.022,-.8354;-3.614,1.5908,.4241;-1.4805,1.7034,.6455;-4.7044,.8037,.0458;-5.3277,-1.1195,-.7052;-3.772,2.6063,.7779;-5.7134,1.2027,.1038;2.7134,1.3949,.865;2.5421,2.4702,.8587;2.5813,.8959,1.8141; 1.4043063 0.2488246 0.2372190 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2821,3.9119,-.3423;1.6538,4.493,.4768;-.052,4.5055,-1.3141;2.3346,3.4003,.3329;2.8709,2.9718,-1.0115;3.0118,2.8005,1.5364;3.0713,1.4537,-1.1167;3.8474,3.4781,-1.1052;2.2399,3.3622,-1.8142;3.2055,1.28,1.4089;3.9971,3.2909,1.6091;2.4568,3.0749,2.4384;3.8779,.8919,.0739;3.5795,1.2094,-2.0561;2.084,.9783,-1.1492;3.8051,.911,2.2485;2.2248,.7945,1.476;4.8686,1.3707,.0549;4.0872,-.608,-.036;5.3771,-1.1446,-.1254;2.9975,-1.4916,-.0491;5.5787,-2.5227,-.2251;6.2346,-.4749,-.1174;3.1932,-2.8688,-.1482;1.9852,-1.1006,.0175;4.4862,-3.3902,-.2366;6.5894,-2.9166,-.2939;2.3351,-3.5358,-.1571;4.6392,-4.4632,-.3143;.1176,2.6972,.3263;-.6791,2.0515,-.0402;.3064,2.6643,1.3896; 0.000000 1.700056 0.000000 1.186669 2.473271 0.000000 2.220471 1.295507 3.103171 0.000000 2.834344 2.451666 3.314646 1.509490 0.000000 3.495175 2.414859 4.518719 1.505562 2.557480 0.000000 3.797654 3.712967 4.371156 2.536364 1.534828 2.975925 0.000000 3.671712 2.888737 4.037824 2.088709 1.103971 2.852224 2.168100 0.000000 2.510341 2.621285 2.609621 2.149496 1.093082 3.483883 2.195430 1.760651 0.000000 4.305862 3.687826 5.331944 2.532143 2.971882 1.538043 2.535109 3.400595 3.956761 0.000000 4.242060 2.866762 5.139561 2.098708 2.870111 1.102985 3.414998 2.724834 3.848547 2.170283 0.000000 3.627979 2.550194 4.735111 2.133974 3.476149 1.094075 3.955313 3.827958 4.267762 2.200483 1.762676 0.000000 4.714253 4.251768 5.516229 2.956526 2.553054 2.555745 1.543970 2.842493 3.514294 1.544335 2.850657 3.517977 0.000000 4.594960 4.572362 4.960069 3.472337 2.167800 3.969865 1.095654 2.474506 2.547051 3.485835 4.235650 4.994112 2.174123 0.000000 3.536152 3.896483 4.126833 2.850526 2.147571 3.375456 1.096269 3.059505 2.479829 2.809431 4.076313 4.172017 2.172939 1.764162 0.000000 5.303749 4.538499 6.363126 3.468211 3.968253 2.169486 3.486781 4.223653 4.996350 1.095713 2.471778 2.556675 2.175924 4.320850 3.809364 0.000000 4.098660 3.873404 5.171057 2.847567 3.368290 2.155637 2.805944 4.061646 4.173573 1.096370 3.064363 2.485944 2.169852 3.805696 2.635469 1.762783 0.000000 5.258527 4.501346 5.992772 3.258487 2.773373 2.772487 2.147124 2.613407 3.790714 2.146454 2.619524 3.795020 1.100538 2.478822 3.059130 2.480790 3.056353 0.000000 5.916251 5.674891 6.701734 4.390158 3.904507 3.904647 2.539753 4.230423 4.726114 2.535641 4.232649 4.726978 1.518330 2.764277 2.787129 2.757859 2.778789 2.129353 0.000000 7.181559 6.782949 7.925351 5.488403 4.900057 4.890761 3.612571 4.966816 5.744980 3.598376 4.958422 5.736310 2.536605 3.535588 4.049619 3.511680 4.032570 2.572507 1.399963 0.000000 6.054603 6.156171 6.845800 4.951383 4.567719 4.575631 3.133729 5.151312 5.220066 3.138675 5.159593 5.228141 2.543906 3.414999 2.853985 3.421097 2.854790 3.421295 1.403036 2.406018 0.000000 8.335060 8.069619 9.071196 6.776261 6.175785 6.166716 4.784809 6.307322 6.950188 4.771028 6.297914 6.940757 3.826436 4.612858 5.032323 4.588544 5.014644 3.967585 2.434510 1.396402 2.785108 0.000000 7.397769 6.783578 8.109056 5.516290 4.898285 4.883560 3.837256 4.722347 5.793035 3.818921 4.708279 5.779685 2.731004 3.693916 4.517043 3.663402 4.497611 2.302552 2.153056 1.088015 3.393701 2.153018 0.000000 7.381771 7.546953 8.140654 6.345824 5.912758 5.917022 4.431314 6.451852 6.519895 4.431391 6.455654 6.523810 3.828901 4.518895 4.127005 4.517198 4.122607 4.563064 2.433717 2.782569 1.394485 2.411660 3.870573 0.000000 5.306186 5.622218 6.111572 4.525406 4.292690 4.310379 2.998404 5.068792 4.830781 3.015403 5.085860 4.849524 2.748738 3.489630 2.385942 3.512241 2.403409 3.797784 2.159610 3.395224 1.087250 3.872305 4.297325 2.147853 0.000000 8.426595 8.406983 9.170510 7.145958 6.609430 6.606240 5.122529 6.952459 7.289008 5.114601 6.948612 7.285074 4.336230 5.028831 5.068262 5.014008 5.055626 4.785205 2.817907 2.418519 2.419918 1.395115 3.401543 1.396932 3.400291 0.000000 9.295885 8.936251 10.011788 7.641913 7.001063 6.988112 5.670425 7.004915 7.787947 5.653431 6.990963 7.774424 4.689523 5.402667 6.016677 5.372732 5.996213 4.632883 3.414300 2.153610 3.871996 1.086917 2.473629 3.399653 4.959210 2.156710 0.000000 7.727775 8.082598 8.467554 6.953373 6.585241 6.593527 5.134010 7.237463 7.094896 5.138332 7.244684 7.103036 4.694470 5.260362 4.628653 5.265151 4.629414 5.526114 3.414202 3.869475 2.151519 3.398796 4.957485 1.086928 2.466428 2.157432 4.301323 0.000000 9.440821 9.473824 10.170786 8.219787 7.674123 7.670407 6.173533 8.019817 8.321271 6.165216 8.014863 8.316487 5.422863 6.027896 6.069297 6.012151 6.056308 5.850145 3.904541 3.404964 3.405281 2.157812 4.300113 2.158882 4.296663 1.086634 2.489183 2.488703 0.000000 1.396311 2.367939 2.447354 2.325736 3.073308 3.138624 3.514616 4.070603 3.086762 3.565881 4.128916 3.174087 4.178835 4.458008 2.999755 4.525762 3.063050 4.940152 5.178086 6.528810 5.097162 7.574643 6.904768 6.376885 4.243407 7.513863 8.589709 6.633382 8.492771 0.000000 2.115749 3.416230 2.835150 3.322768 3.793772 4.082839 3.947385 4.864016 3.658685 4.217335 5.111096 4.126079 4.703686 4.786317 3.164921 5.162093 3.508858 5.590206 5.458076 6.848397 5.106051 7.753632 7.361258 6.262289 4.127692 7.505457 8.807859 6.349638 8.414404 1.089106 0.000000 2.134657 2.447980 3.290634 2.402406 3.526443 2.712759 3.923158 4.407303 3.806516 3.212688 3.749896 2.427439 4.198564 4.970127 3.528144 4.006526 2.680227 4.926272 5.199398 6.520286 5.155901 7.570273 6.875170 6.427519 4.344547 7.534714 8.570626 6.704408 8.513379 1.080380 1.841493 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7128,.9149,-.0071;3.5468,-.7552,.2636;4.396,1.2435,-.9201;2.261,-.7613,.1056;1.6277,-.5498,-1.2482;1.404,-1.4469,1.1363;.2059,.0213,-1.1583;1.5917,-1.553,-1.7077;2.2786,.0589,-1.8812;-.0166,-.8617,1.2077;1.3495,-2.5061,.8335;1.913,-1.4226,2.1045;-.6813,-.7836,-.1841;-.2538,.0342,-2.1527;.2744,1.0616,-.8194;-.6335,-1.467,1.8812;.0397,.1443,1.64;-.7483,-1.811,-.573;-2.0915,-.2266,-.1042;-3.1904,-1.0074,-.4817;-2.329,1.0795,.3499;-4.4908,-.5037,-.4098;-3.0258,-2.0225,-.837;-3.6256,1.5874,.4239;-1.4928,1.7073,.6478;-4.7128,.7968,.0439;-5.3286,-1.1282,-.7088;-3.7875,2.6021,.7782;-5.7233,1.1922,.101;2.7325,1.3842,.8694;2.5599,2.4595,.8654;2.6091,.8854,1.8198; 1.4115801 0.2477701 0.2364898 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2803,3.8981,-.3429;1.644,4.4862,.4798;-.0564,4.4917,-1.3139;2.3373,3.4024,.3343;2.8741,2.9764,-1.0103;3.0175,2.805,1.5368;3.0743,1.4582,-1.1166;3.8506,3.4829,-1.1034;2.2428,3.3671,-1.8125;3.2086,1.284,1.4092;4.0038,3.2936,1.6067;2.4645,3.0804,2.4397;3.88,.8949,.0739;3.5828,1.2144,-2.0559;2.0865,.984,-1.1498;3.8076,.9137,2.2486;2.2267,.8008,1.4763;4.8717,1.3718,.055;4.0863,-.6053,-.036;5.3751,-1.1447,-.1246;2.9947,-1.4867,-.0496;5.5738,-2.5233,-.2241;6.234,-.4768,-.1162;3.1875,-2.8642,-.1485;1.9832,-1.0934,.0165;4.4794,-3.3884,-.2362;6.5837,-2.9193,-.2923;2.328,-3.5294,-.1578;4.6302,-4.4618,-.3137;.1197,2.6815,.3228;-.6763,2.0353,-.0442;.3113,2.6455,1.3855; 0.000000 1.697699 0.000000 1.186860 2.471539 0.000000 2.221605 1.294848 3.103689 0.000000 2.832445 2.452208 3.312995 1.509173 0.000000 3.495809 2.414704 4.518938 1.505241 2.556948 0.000000 3.789233 3.709889 4.363746 2.535359 1.534988 2.976162 0.000000 3.673925 2.895232 4.040609 2.088858 1.103974 2.850285 2.168386 0.000000 2.508627 2.620271 2.607592 2.149185 1.093023 3.483449 2.195341 1.761075 0.000000 4.298656 3.683282 5.325881 2.530286 2.971568 1.538265 2.535325 3.400022 3.956209 0.000000 4.246250 2.874223 5.142993 2.099535 2.868039 1.102921 3.413034 2.720943 3.846759 2.170294 0.000000 3.630723 2.547757 4.736706 2.133701 3.475822 1.094026 3.956076 3.825775 4.267655 2.200647 1.763212 0.000000 4.706472 4.249977 5.509836 2.955534 2.553445 2.555804 1.543970 2.843302 3.514390 1.544330 2.849274 3.518057 0.000000 4.587370 4.571041 4.953342 3.471606 2.168033 3.969578 1.095647 2.474907 2.547396 3.485957 4.232642 4.994354 2.174119 0.000000 3.522142 3.888065 4.113721 2.848517 2.146908 3.376506 1.096254 3.059140 2.478410 2.810269 4.075378 4.174020 2.173088 1.764408 0.000000 5.297571 4.535764 6.357992 3.466996 3.968254 2.169719 3.486980 4.223556 4.996081 1.095705 2.472795 2.556322 2.175994 4.320931 3.810089 0.000000 4.085460 3.861969 5.159483 2.843317 3.366786 2.155341 2.805984 4.060130 4.171580 1.096342 3.064149 2.486163 2.169960 3.806131 2.636235 1.763042 0.000000 5.255567 4.505334 5.991094 3.259464 2.774874 2.772602 2.147228 2.615507 3.792073 2.146431 2.618013 3.794757 1.100533 2.478318 3.059290 2.480760 3.056406 0.000000 5.904280 5.670547 6.691359 4.388381 3.904784 3.904633 2.539663 4.231791 4.725930 2.535410 4.231690 4.726932 1.518351 2.764912 2.786694 2.757711 2.778898 2.129407 0.000000 7.171774 6.781889 7.917335 5.487682 4.901294 4.890620 3.612842 4.969515 5.745985 3.597847 4.957455 5.735722 2.536661 3.536546 4.049360 3.510929 4.032395 2.572656 1.399951 0.000000 6.037352 6.146574 6.829950 4.947975 4.566868 4.575526 3.133231 5.151616 5.218426 3.138507 5.158778 5.228367 2.543833 3.415669 2.852986 3.421220 2.854968 3.421281 1.403041 2.406059 0.000000 8.322839 8.066763 9.060729 6.774985 6.176815 6.166484 4.785014 6.310020 6.950916 4.770407 6.297068 6.940076 3.826468 4.614062 5.031850 4.587703 5.014378 3.967735 2.434479 1.396408 2.785137 0.000000 7.391734 6.786426 8.104900 5.516825 4.900308 4.883457 3.837782 4.725890 5.795060 3.818384 4.707255 5.778875 2.731114 3.694742 4.517086 3.662476 4.497393 2.302776 2.153064 1.088016 3.393742 2.153029 0.000000 7.363336 7.537004 8.123456 6.342414 5.912136 5.916808 4.430951 6.452635 6.518460 4.431026 6.454908 6.523781 3.828835 4.519866 4.125986 4.517015 4.122580 4.563082 2.433682 2.782587 1.394479 2.411673 3.870592 0.000000 5.286236 5.609128 6.092891 4.520921 4.290833 4.310299 2.997549 5.067891 4.827900 3.015486 5.085064 4.850188 2.748594 3.489939 2.384683 3.512771 2.403869 3.797672 2.159612 3.395249 1.087250 3.872335 4.297346 2.147880 0.000000 8.410576 8.400183 9.155962 7.143495 6.609642 6.605969 5.122456 6.954292 7.288651 5.114039 6.947832 7.284633 4.336199 5.030024 5.067469 5.013409 5.055412 4.785285 2.817855 2.418518 2.419922 1.395112 3.401546 1.396937 3.400315 0.000000 9.285062 8.935270 10.002861 7.641212 7.002553 6.987858 5.670781 7.008215 7.789291 5.652741 6.990144 7.773519 4.689582 5.403940 6.016317 5.371705 5.995869 4.633078 3.414275 2.153616 3.872026 1.086916 2.473644 3.399664 4.959239 2.156708 0.000000 7.706862 8.070033 8.447511 6.949274 6.584107 6.593306 5.133506 7.237708 7.092748 5.138047 7.244022 7.103192 4.694387 5.261274 4.627490 5.265134 4.629449 5.526109 3.414173 3.869491 2.151507 3.398805 4.957503 1.086926 2.466462 2.157436 4.301328 0.000000 9.423913 9.466476 10.155256 8.217196 7.674331 7.670096 6.173469 8.021750 8.320886 6.164614 8.014132 8.315973 5.422833 6.029167 6.068462 6.011492 6.056048 5.850234 3.904489 3.404961 3.405281 2.157804 4.300114 2.158882 4.296688 1.086634 2.489173 2.488702 0.000000 1.396103 2.367513 2.446789 2.331882 3.074240 3.144292 3.506891 4.073803 3.088255 3.560158 4.136356 3.184094 4.170607 4.450237 2.986399 4.520439 3.050737 4.936422 5.163897 6.516083 5.077193 7.558863 6.895830 6.355215 4.220959 7.494262 8.575013 6.609341 8.472088 0.000000 2.115332 3.415496 2.833855 3.330815 3.797965 4.091048 3.943408 4.869337 3.663606 4.215378 5.119825 4.138460 4.698366 4.781387 3.156074 5.159484 3.501908 5.588399 5.445644 6.836541 5.087252 7.738011 7.353107 6.240595 4.106730 7.485651 8.793020 6.324921 8.393044 1.089026 0.000000 2.134785 2.446375 3.290980 2.404755 3.523861 2.715190 3.912127 4.407102 3.805120 3.201408 3.755526 2.436578 4.185787 4.959347 3.512839 3.996034 2.660839 4.918303 5.180677 6.502966 5.131780 7.549943 6.861693 6.401805 4.318464 7.510786 8.551349 6.676748 8.488456 1.080413 1.841677 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7021,.9211,-.006;3.5459,-.7468,.2696;4.3866,1.2512,-.9177;2.2617,-.7666,.1051;1.6303,-.5568,-1.2495;1.4053,-1.455,1.1339;.2086,.0152,-1.1605;1.5942,-1.5603,-1.7081;2.2817,.0517,-1.8821;-.0143,-.867,1.2059;1.3486,-2.5132,.8286;1.9142,-1.4329,2.1021;-.6794,-.7878,-.1856;-.251,.0274,-2.155;.2786,1.0557,-.8226;-.6321,-1.4709,1.8799;.0448,.1389,1.638;-.7488,-1.8152,-.5741;-2.0884,-.2279,-.1048;-3.1893,-1.0067,-.4806;-2.3227,1.079,.3487;-4.4886,-.5002,-.4075;-3.0273,-2.0224,-.8354;-3.6182,1.5896,.4239;-1.4849,1.7053,.6453;-4.7074,.801,.0456;-5.328,-1.1232,-.7052;-3.7776,2.6049,.7776;-5.717,1.1986,.1036;2.7184,1.3895,.8669;2.5452,2.4647,.8621;2.5911,.8903,1.8166; 1.4070222 0.2484590 0.2369527 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2802,3.8978,-.3427;1.6439,4.4862,.4799;-.0566,4.4913,-1.3137;2.3373,3.4024,.3343;2.874,2.9765,-1.0103;3.0178,2.805,1.5368;3.074,1.4583,-1.1166;3.8505,3.4829,-1.1034;2.2426,3.3673,-1.8124;3.209,1.284,1.4091;4.004,3.2938,1.6065;2.4648,3.0804,2.4397;3.88,.895,.0737;3.5822,1.2144,-2.0561;2.0861,.9843,-1.1496;3.8083,.9139,2.2484;2.2272,.8008,1.4765;4.8717,1.3719,.0544;4.0862,-.6053,-.0363;5.3751,-1.1447,-.1242;2.9945,-1.4865,-.0503;5.5737,-2.5233,-.2235;6.234,-.4769,-.1155;3.1874,-2.8641,-.149;1.9831,-1.0932,.0154;4.4792,-3.3884,-.236;6.5836,-2.9194,-.2912;2.3278,-3.5292,-.1586;4.63,-4.4618,-.3134;.1201,2.681,.3229;-.6758,2.0347,-.0442;.3114,2.6452,1.3856; 0.000000 1.697781 0.000000 1.186857 2.471599 0.000000 2.221553 1.294870 3.103630 0.000000 2.832332 2.452198 3.312844 1.509158 0.000000 3.495814 2.414734 4.518923 1.505245 2.556914 0.000000 3.788864 3.709788 4.363335 2.535263 1.534969 2.976140 0.000000 3.673944 2.895318 4.040621 2.088895 1.103981 2.850186 2.168408 0.000000 2.508519 2.620194 2.607399 2.149151 1.093027 3.483423 2.195345 1.761076 0.000000 4.298657 3.683343 5.325852 2.530307 2.971568 1.538270 2.535341 3.399873 3.956282 0.000000 4.246230 2.874204 5.142943 2.099529 2.867975 1.102923 3.413101 2.720794 3.846650 2.170299 0.000000 3.630792 2.547797 4.736764 2.133701 3.475793 1.094026 3.956013 3.825707 4.267638 2.200651 1.763212 0.000000 4.706266 4.249981 5.509578 2.955516 2.553388 2.555855 1.543965 2.843163 3.514366 1.544336 2.849427 3.518090 0.000000 4.586950 4.570979 4.952841 3.471561 2.168040 3.969614 1.095646 2.475044 2.547358 3.485969 4.232811 4.994344 2.174111 0.000000 3.521524 3.887748 4.113099 2.848240 2.146859 3.376344 1.096256 3.059143 2.478446 2.810278 4.075315 4.173776 2.173127 1.764414 0.000000 5.297629 4.535834 6.358001 3.467010 3.968188 2.169731 3.486983 4.223284 4.996089 1.095705 2.472748 2.556398 2.175990 4.320925 3.810143 0.000000 4.085585 3.862118 5.159601 2.843419 3.366939 2.155344 2.806045 4.060138 4.171866 1.096342 3.064145 2.486113 2.169927 3.806144 2.636295 1.763044 0.000000 5.255438 4.505433 5.990886 3.259532 2.774771 2.772773 2.147206 2.615292 3.791947 2.146458 2.618317 3.794941 1.100532 2.478308 3.059305 2.480727 3.056398 0.000000 5.904002 5.670513 6.691041 4.388332 3.904780 3.904624 2.539722 4.231721 4.725986 2.535343 4.231817 4.726875 1.518354 2.764968 2.786850 2.757657 2.778706 2.129401 0.000000 7.171622 6.781892 7.917237 5.487667 4.901519 4.890404 3.613236 4.969685 5.746345 3.597431 4.957384 5.735373 2.536661 3.537211 4.049828 3.510234 4.031870 2.572650 1.399951 0.000000 6.036912 6.146477 6.829392 4.947877 4.566698 4.575658 3.132995 5.151403 5.218268 3.138752 5.159027 5.228508 2.543838 3.415233 2.852830 3.421696 2.855106 3.421277 1.403041 2.406058 0.000000 8.322650 8.066742 9.060602 6.774950 6.177043 6.166258 4.785381 6.310199 6.951305 4.770021 6.296995 6.939691 3.826470 4.614676 5.032331 4.587073 5.013834 3.967728 2.434481 1.396408 2.785138 0.000000 7.391697 6.786475 8.104971 5.516848 4.900659 4.883135 3.838341 4.726208 5.795572 3.817795 4.707053 5.778385 2.731112 3.695738 4.517665 3.661419 4.496756 2.302770 2.153064 1.088016 3.393742 2.153029 0.000000 7.362908 7.536900 8.122938 6.342314 5.912054 5.916855 4.430856 6.452506 6.518427 4.431124 6.455092 6.523795 3.828839 4.519637 4.126002 4.517282 4.122530 4.563076 2.433683 2.782585 1.394479 2.411673 3.870590 0.000000 5.285660 5.608994 6.092108 4.520792 4.290468 4.310607 2.996996 5.067516 4.827467 3.016060 5.085438 4.850593 2.748601 3.489057 2.384054 3.513708 2.404514 3.797669 2.159612 3.395248 1.087249 3.872335 4.297345 2.147880 0.000000 8.410266 8.400115 9.155647 7.143424 6.609734 6.605860 5.122617 6.954334 7.288863 5.113869 6.947878 7.284413 4.336203 5.030247 5.067764 5.013200 5.055063 4.785279 2.817857 2.418518 2.419923 1.395112 3.401546 1.396937 3.400315 0.000000 9.284939 8.935268 10.002851 7.641194 7.002876 6.987546 5.671263 7.008501 7.789815 5.652234 6.989980 7.773004 4.689582 5.404777 6.016905 5.370837 5.995211 4.633071 3.414277 2.153616 3.872026 1.086916 2.473644 3.399664 4.959239 2.156709 0.000000 7.706349 8.069896 8.446854 6.949152 6.583939 6.593426 5.133284 7.237504 7.092592 5.138277 7.244267 7.103320 4.694392 5.260825 4.627349 5.265632 4.629565 5.526104 3.414174 3.869490 2.151507 3.398804 4.957501 1.086927 2.466462 2.157436 4.301328 0.000000 9.423594 9.466399 10.154942 8.217121 7.674439 7.669970 6.173643 8.021811 8.321128 6.164431 8.014163 8.315721 5.422837 6.029411 6.068773 6.011264 6.055681 5.850227 3.904491 3.404961 3.405282 2.157804 4.300114 2.158882 4.296689 1.086634 2.489173 2.488703 0.000000 1.396121 2.367534 2.446806 2.331602 3.073842 3.144101 3.506136 4.073486 3.087991 3.559907 4.136149 3.184074 4.170037 4.449417 2.985379 4.520319 3.050626 4.935950 5.163225 6.515435 5.076458 7.558174 6.895247 6.354472 4.220211 7.493533 8.574339 6.608598 8.471353 0.000000 2.115261 3.415500 2.833770 3.330571 3.797565 4.090899 3.942581 4.868996 3.663339 4.215166 5.119647 4.138479 4.697748 4.780403 3.154968 5.159418 3.501849 5.587858 5.444876 6.835825 5.086352 7.737236 7.352482 6.239685 4.105754 7.484797 8.792276 6.323975 8.392180 1.089031 0.000000 2.134712 2.446422 3.290901 2.404710 3.523775 2.715275 3.911801 4.407066 3.805077 3.201495 3.755608 2.436744 4.185650 4.958978 3.512231 3.996271 2.660956 4.918299 5.180410 6.502600 5.131525 7.549512 6.861335 6.401465 4.318326 7.510367 8.550880 6.676433 8.488006 1.080421 1.841660 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7019,.9212,-.0055;3.5459,-.7468,.2696;4.3864,1.2518,-.917;2.2617,-.7666,.1049;1.6305,-.5563,-1.2496;1.4052,-1.4555,1.1333;.2089,.0157,-1.1605;1.5943,-1.5597,-1.7087;2.2819,.0523,-1.882;-.0145,-.8677,1.2054;1.3487,-2.5137,.8275;1.9141,-1.4339,2.1016;-.6793,-.7878,-.1862;-.2506,.0286,-2.155;.279,1.0561,-.822;-.6323,-1.4722,1.8789;.0445,.1379,1.6381;-.7488,-1.8149,-.5753;-2.0883,-.2278,-.1051;-3.1893,-1.0067,-.4805;-2.3225,1.0791,.3485;-4.4886,-.5002,-.4071;-3.0274,-2.0224,-.8353;-3.618,1.5897,.4239;-1.4846,1.7054,.6448;-4.7073,.801,.046;-5.3281,-1.1232,-.7045;-3.7773,2.605,.7777;-5.7169,1.1986,.1043;2.7178,1.3891,.8673;2.5445,2.4642,.8628;2.5908,.8897,1.8169; 1.4070065 0.2484804 0.2369616 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2802,3.8995,-.3424;1.6451,4.4871,.4796;-.0566,4.4932,-1.3134;2.3369,3.4022,.3342;2.8735,2.976,-1.0105;3.0171,2.8045,1.5367;3.0736,1.4578,-1.1167;3.85,3.4824,-1.1038;2.2421,3.3667,-1.8127;3.2086,1.2836,1.409;4.0033,3.2934,1.6066;2.464,3.0797,2.4396;3.8798,.8946,.0736;3.5818,1.2138,-2.0562;2.0858,.9836,-1.1496;3.8079,.9135,2.2483;2.2269,.8001,1.4763;4.8713,1.3718,.0543;4.0863,-.6056,-.0363;5.3753,-1.1447,-.1241;2.9949,-1.4871,-.0505;5.5743,-2.5233,-.2233;6.234,-.4767,-.1152;3.188,-2.8646,-.1491;1.9833,-1.094,.0151;4.48,-3.3886,-.236;6.5843,-2.9191,-.2909;2.3286,-3.53,-.1588;4.6311,-4.4619,-.3133;.1201,2.6828,.3234;-.6758,2.0364,-.0435;.3111,2.6475,1.3862; 0.000000 1.698260 0.000000 1.186811 2.471954 0.000000 2.221534 1.294956 3.103775 0.000000 2.832741 2.452169 3.313454 1.509221 0.000000 3.495837 2.414754 4.519062 1.505299 2.556997 0.000000 3.790071 3.710235 4.364665 2.535422 1.534957 2.976125 0.000000 3.673845 2.894522 4.040676 2.088910 1.103973 2.850470 2.168371 0.000000 2.508897 2.620394 2.608129 2.149210 1.093031 3.483492 2.195325 1.761034 0.000000 4.299550 3.683886 5.326728 2.530514 2.971601 1.538240 2.535304 3.400007 3.956299 0.000000 4.245873 2.873314 5.142765 2.099463 2.868232 1.102925 3.413295 2.721311 3.846902 2.170291 0.000000 3.630529 2.548098 4.736635 2.133749 3.475860 1.094032 3.955953 3.826016 4.267680 2.200619 1.763155 0.000000 4.707332 4.250226 5.510684 2.955651 2.553361 2.555831 1.543964 2.843131 3.514342 1.544334 2.849522 3.518064 0.000000 4.588089 4.571202 4.954177 3.471678 2.168012 3.969640 1.095648 2.474949 2.547308 3.485945 4.233089 4.994327 2.174109 0.000000 3.523400 3.888903 4.115075 2.848551 2.146941 3.376285 1.096259 3.059176 2.478536 2.810180 4.075437 4.173636 2.173108 1.764386 0.000000 5.298383 4.536161 6.358745 3.467159 3.968218 2.169706 3.486954 4.223425 4.996108 1.095706 2.472666 2.556397 2.175983 4.320913 3.810039 0.000000 4.087057 3.863440 5.160965 2.843837 3.367023 2.155378 2.805974 4.060294 4.171929 1.096346 3.064170 2.486110 2.169904 3.806046 2.636144 1.763022 0.000000 5.255946 4.504947 5.991465 3.259422 2.774627 2.772703 2.147195 2.615136 3.791820 2.146458 2.618376 3.794905 1.100532 2.478358 3.059287 2.480764 3.056385 0.000000 5.905568 5.671082 6.692637 4.388564 3.904773 3.904603 2.539748 4.231622 4.725994 2.535355 4.231846 4.726856 1.518351 2.764929 2.786904 2.757620 2.778712 2.129395 0.000000 7.172971 6.782044 7.918654 5.487767 4.901477 4.890305 3.613311 4.969514 5.746338 3.597388 4.957309 5.735283 2.536654 3.537292 4.049943 3.510123 4.031835 2.572634 1.399953 0.000000 6.039057 6.147710 6.831540 4.948311 4.566762 4.575729 3.132995 5.151362 5.218337 3.138831 5.159121 5.228575 2.543847 3.415081 2.852866 3.421717 2.855192 3.421278 1.403040 2.406053 0.000000 8.324287 8.067121 9.062317 6.775119 6.177024 6.166176 4.785461 6.310022 6.951327 4.769993 6.296910 6.939615 3.826466 4.614730 5.032470 4.586963 5.013820 3.967713 2.434485 1.396407 2.785134 0.000000 7.392624 6.786133 8.105983 5.516792 4.900570 4.882971 3.838429 4.725997 5.795527 3.817709 4.706913 5.778238 2.731098 3.695906 4.517779 3.661273 4.496685 2.302746 2.153063 1.088016 3.393736 2.153027 0.000000 7.365204 7.538176 8.125275 6.342747 5.912119 5.916908 4.430881 6.452433 6.518511 4.431187 6.455145 6.523848 3.828847 4.519513 4.126084 4.517275 4.122607 4.563074 2.433687 2.782583 1.394480 2.411671 3.870588 0.000000 5.288072 5.610668 6.094472 4.521358 4.290581 4.310758 2.996954 5.067550 4.827566 3.016190 5.085612 4.850733 2.748617 3.488832 2.384007 3.513787 2.404663 3.797680 2.159611 3.395244 1.087249 3.872332 4.297341 2.147878 0.000000 8.412319 8.400993 9.157771 7.143741 6.609762 6.605846 5.122677 6.954201 7.288925 5.113888 6.947855 7.284403 4.336207 5.030213 5.067891 5.013138 5.055097 4.785271 2.817864 2.418518 2.419923 1.395112 3.401545 1.396937 3.400314 0.000000 9.286431 8.935410 10.004435 7.641291 7.002835 6.987426 5.671357 7.008290 7.789823 5.652183 6.989845 7.772891 4.689575 5.404879 6.017061 5.370700 5.995177 4.633050 3.414280 2.153616 3.872023 1.086916 2.473642 3.399663 4.959236 2.156709 0.000000 7.708907 8.071503 8.449458 6.949671 6.584034 6.593521 5.133292 7.237459 7.092702 5.138364 7.244353 7.103415 4.694402 5.260656 4.627410 5.265652 4.629672 5.526104 3.414177 3.869487 2.151509 3.398803 4.957499 1.086927 2.466459 2.157436 4.301328 0.000000 9.425754 9.467347 10.157187 8.217453 7.674472 7.669956 6.173706 8.021670 8.321200 6.164451 8.014129 8.315711 5.422841 6.029376 6.068909 6.011199 6.055719 5.850218 3.904498 3.404961 3.405282 2.157805 4.300114 2.158883 4.296687 1.086634 2.489174 2.488703 0.000000 1.396172 2.367616 2.446941 2.330624 3.073491 3.143177 3.506831 4.072867 3.087598 3.560224 4.135034 3.182722 4.170712 4.450163 2.986821 4.520572 3.051656 4.936084 5.164636 6.516666 5.078603 7.559787 6.896013 6.356842 4.222681 7.495633 8.575817 6.611289 8.473595 0.000000 2.115306 3.415642 2.834013 3.329360 3.796774 4.089621 3.942707 4.868079 3.662484 4.214905 5.118325 4.136801 4.697939 4.780705 3.155698 5.159196 3.502071 5.587654 5.445903 6.836802 5.088135 7.738669 7.353033 6.241842 4.107783 7.486734 8.793623 6.326518 8.394316 1.089047 0.000000 2.134670 2.446631 3.290810 2.404275 3.523972 2.714804 3.913044 4.406971 3.805140 3.202593 3.754779 2.435513 4.187009 4.960216 3.514081 3.997231 2.662989 4.919054 5.182503 6.504462 5.134356 7.551748 6.862691 6.404481 4.321486 7.513098 8.552958 6.679742 8.490862 1.080422 1.841619 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7033,.9206,-.0054;3.5461,-.748,.2688;4.3879,1.251,-.9168;2.2616,-.766,.1049;1.6302,-.5554,-1.2496;1.405,-1.4547,1.1334;.2085,.0165,-1.1603;1.5941,-1.5587,-1.7088;2.2816,.0534,-1.8819;-.0147,-.8671,1.2055;1.3487,-2.5129,.8278;1.9139,-1.4328,2.1017;-.6796,-.7872,-.1861;-.251,.0295,-2.1549;.2785,1.0568,-.8217;-.6325,-1.4716,1.8789;.0439,.1386,1.6382;-.7487,-1.8143,-.5753;-2.0887,-.2276,-.1051;-3.1895,-1.0068,-.4805;-2.3233,1.0793,.3484;-4.4889,-.5007,-.4071;-3.0273,-2.0225,-.8353;-3.6189,1.5895,.4238;-1.4855,1.7058,.6447;-4.708,.8005,.046;-5.3282,-1.124,-.7045;-3.7785,2.6048,.7775;-5.7177,1.1978,.1042;2.7193,1.3882,.8677;2.5459,2.4633,.8633;2.5928,.8888,1.8173; 1.4076074 0.2483938 0.2368985 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2802,3.8995,-.3424;1.6451,4.4871,.4796;-.0566,4.4932,-1.3134;2.3369,3.4022,.3342;2.8735,2.976,-1.0105;3.0171,2.8045,1.5367;3.0736,1.4578,-1.1167;3.85,3.4824,-1.1038;2.2421,3.3667,-1.8127;3.2086,1.2836,1.409;4.0033,3.2934,1.6066;2.464,3.0797,2.4396;3.8798,.8946,.0736;3.5818,1.2138,-2.0562;2.0858,.9836,-1.1496;3.8079,.9135,2.2483;2.2269,.8001,1.4763;4.8713,1.3718,.0543;4.0863,-.6056,-.0363;5.3753,-1.1447,-.1241;2.9949,-1.4871,-.0505;5.5743,-2.5233,-.2233;6.234,-.4767,-.1152;3.188,-2.8646,-.1491;1.9833,-1.094,.0151;4.48,-3.3886,-.236;6.5843,-2.9191,-.2909;2.3286,-3.53,-.1588;4.6311,-4.4619,-.3133;.1201,2.6828,.3234;-.6758,2.0364,-.0435;.3111,2.6475,1.3862; 0.000000 1.698260 0.000000 1.186811 2.471954 0.000000 2.221534 1.294956 3.103775 0.000000 2.832741 2.452169 3.313454 1.509221 0.000000 3.495837 2.414754 4.519062 1.505299 2.556997 0.000000 3.790071 3.710235 4.364665 2.535422 1.534957 2.976125 0.000000 3.673845 2.894522 4.040676 2.088910 1.103973 2.850470 2.168371 0.000000 2.508897 2.620394 2.608129 2.149210 1.093031 3.483492 2.195325 1.761034 0.000000 4.299550 3.683886 5.326728 2.530514 2.971601 1.538240 2.535304 3.400007 3.956299 0.000000 4.245873 2.873314 5.142765 2.099463 2.868232 1.102925 3.413295 2.721311 3.846902 2.170291 0.000000 3.630529 2.548098 4.736635 2.133749 3.475860 1.094032 3.955953 3.826016 4.267680 2.200619 1.763155 0.000000 4.707332 4.250226 5.510684 2.955651 2.553361 2.555831 1.543964 2.843131 3.514342 1.544334 2.849522 3.518064 0.000000 4.588089 4.571202 4.954177 3.471678 2.168012 3.969640 1.095648 2.474949 2.547308 3.485945 4.233089 4.994327 2.174109 0.000000 3.523400 3.888903 4.115075 2.848551 2.146941 3.376285 1.096259 3.059176 2.478536 2.810180 4.075437 4.173636 2.173108 1.764386 0.000000 5.298383 4.536161 6.358745 3.467159 3.968218 2.169706 3.486954 4.223425 4.996108 1.095706 2.472666 2.556397 2.175983 4.320913 3.810039 0.000000 4.087057 3.863440 5.160965 2.843837 3.367023 2.155378 2.805974 4.060294 4.171929 1.096346 3.064170 2.486110 2.169904 3.806046 2.636144 1.763022 0.000000 5.255946 4.504947 5.991465 3.259422 2.774627 2.772703 2.147195 2.615136 3.791820 2.146458 2.618376 3.794905 1.100532 2.478358 3.059287 2.480764 3.056385 0.000000 5.905568 5.671082 6.692637 4.388564 3.904773 3.904603 2.539748 4.231622 4.725994 2.535355 4.231846 4.726856 1.518351 2.764929 2.786904 2.757620 2.778712 2.129395 0.000000 7.172971 6.782044 7.918654 5.487767 4.901477 4.890305 3.613311 4.969514 5.746338 3.597388 4.957309 5.735283 2.536654 3.537292 4.049943 3.510123 4.031835 2.572634 1.399953 0.000000 6.039057 6.147710 6.831540 4.948311 4.566762 4.575729 3.132995 5.151362 5.218337 3.138831 5.159121 5.228575 2.543847 3.415081 2.852866 3.421717 2.855192 3.421278 1.403040 2.406053 0.000000 8.324287 8.067121 9.062317 6.775119 6.177024 6.166176 4.785461 6.310022 6.951327 4.769993 6.296910 6.939615 3.826466 4.614730 5.032470 4.586963 5.013820 3.967713 2.434485 1.396407 2.785134 0.000000 7.392624 6.786133 8.105983 5.516792 4.900570 4.882971 3.838429 4.725997 5.795527 3.817709 4.706913 5.778238 2.731098 3.695906 4.517779 3.661273 4.496685 2.302746 2.153063 1.088016 3.393736 2.153027 0.000000 7.365204 7.538176 8.125275 6.342747 5.912119 5.916908 4.430881 6.452433 6.518511 4.431187 6.455145 6.523848 3.828847 4.519513 4.126084 4.517275 4.122607 4.563074 2.433687 2.782583 1.394480 2.411671 3.870588 0.000000 5.288072 5.610668 6.094472 4.521358 4.290581 4.310758 2.996954 5.067550 4.827566 3.016190 5.085612 4.850733 2.748617 3.488832 2.384007 3.513787 2.404663 3.797680 2.159611 3.395244 1.087249 3.872332 4.297341 2.147878 0.000000 8.412319 8.400993 9.157771 7.143741 6.609762 6.605846 5.122677 6.954201 7.288925 5.113888 6.947855 7.284403 4.336207 5.030213 5.067891 5.013138 5.055097 4.785271 2.817864 2.418518 2.419923 1.395112 3.401545 1.396937 3.400314 0.000000 9.286431 8.935410 10.004435 7.641291 7.002835 6.987426 5.671357 7.008290 7.789823 5.652183 6.989845 7.772891 4.689575 5.404879 6.017061 5.370700 5.995177 4.633050 3.414280 2.153616 3.872023 1.086916 2.473642 3.399663 4.959236 2.156709 0.000000 7.708907 8.071503 8.449458 6.949671 6.584034 6.593521 5.133292 7.237459 7.092702 5.138364 7.244353 7.103415 4.694402 5.260656 4.627410 5.265652 4.629672 5.526104 3.414177 3.869487 2.151509 3.398803 4.957499 1.086927 2.466459 2.157436 4.301328 0.000000 9.425754 9.467347 10.157187 8.217453 7.674472 7.669956 6.173706 8.021670 8.321200 6.164451 8.014129 8.315711 5.422841 6.029376 6.068909 6.011199 6.055719 5.850218 3.904498 3.404961 3.405282 2.157805 4.300114 2.158883 4.296687 1.086634 2.489174 2.488703 0.000000 1.396172 2.367616 2.446941 2.330624 3.073491 3.143177 3.506831 4.072867 3.087598 3.560224 4.135034 3.182722 4.170712 4.450163 2.986821 4.520572 3.051656 4.936084 5.164636 6.516666 5.078603 7.559787 6.896013 6.356842 4.222681 7.495633 8.575817 6.611289 8.473595 0.000000 2.115306 3.415642 2.834013 3.329360 3.796774 4.089621 3.942707 4.868079 3.662484 4.214905 5.118325 4.136801 4.697939 4.780705 3.155698 5.159196 3.502071 5.587654 5.445903 6.836802 5.088135 7.738669 7.353033 6.241842 4.107783 7.486734 8.793623 6.326518 8.394316 1.089047 0.000000 2.134670 2.446631 3.290810 2.404275 3.523972 2.714804 3.913044 4.406971 3.805140 3.202593 3.754779 2.435513 4.187009 4.960216 3.514081 3.997231 2.662989 4.919054 5.182503 6.504462 5.134356 7.551748 6.862691 6.404481 4.321486 7.513098 8.552958 6.679742 8.490862 1.080422 1.841619 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7033,.9206,-.0054;3.5461,-.748,.2688;4.3879,1.251,-.9168;2.2616,-.766,.1049;1.6302,-.5554,-1.2496;1.405,-1.4547,1.1334;.2085,.0165,-1.1603;1.5941,-1.5587,-1.7088;2.2816,.0534,-1.8819;-.0147,-.8671,1.2055;1.3487,-2.5129,.8278;1.9139,-1.4328,2.1017;-.6796,-.7872,-.1861;-.251,.0295,-2.1549;.2785,1.0568,-.8217;-.6325,-1.4716,1.8789;.0439,.1386,1.6382;-.7487,-1.8143,-.5753;-2.0887,-.2276,-.1051;-3.1895,-1.0068,-.4805;-2.3233,1.0793,.3484;-4.4889,-.5007,-.4071;-3.0273,-2.0225,-.8353;-3.6189,1.5895,.4238;-1.4855,1.7058,.6447;-4.708,.8005,.046;-5.3282,-1.124,-.7045;-3.7785,2.6048,.7775;-5.7177,1.1978,.1042;2.7193,1.3882,.8677;2.5459,2.4633,.8633;2.5928,.8888,1.8173; 1.4076074 0.2483938 0.2368985 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111 Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=706935202. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 93 vectors produced by pass 0 Test12= 1.25D-14 1.01D-09 XBig12= 2.92D-01 3.78D-01. AX will form 93 AO Fock derivatives at one time. 93 vectors produced by pass 1 Test12= 1.25D-14 1.01D-09 XBig12= 1.46D-01 1.61D-01. 93 vectors produced by pass 2 Test12= 1.25D-14 1.01D-09 XBig12= 2.52D-03 7.15D-03. 93 vectors produced by pass 3 Test12= 1.25D-14 1.01D-09 XBig12= 1.45D-05 4.92D-04. 93 vectors produced by pass 4 Test12= 1.25D-14 1.01D-09 XBig12= 2.42D-08 1.52D-05. 78 vectors produced by pass 5 Test12= 1.25D-14 1.01D-09 XBig12= 2.32D-11 6.11D-07. 6 vectors produced by pass 6 Test12= 1.25D-14 1.01D-09 XBig12= 1.99D-14 1.26D-08. InvSVY: IOpt=1 It= 1 EMax= 5.00D-16 Solved reduced A of dimension 549 with 99 vectors. End of Minotr F.D. properties file 721 does not exist. 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 6 8 8 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 6 6 6 6 1 6 1 6 1 1 1 6 1 1 -0.001425192 0.000104753 0.006906446 0.001213969 0.002668348 0.000306830 -0.000160105 0.000465198 -0.003187299 -0.009303758 -0.003040683 -0.001021570 0.001487565 0.001875192 0.000208098 0.000618634 0.001208729 0.000054070 0.002953697 0.002563092 -0.001392047 0.000337946 -0.001135337 -0.001173738 0.000175713 0.000351993 0.000150360 0.002690836 0.002774642 0.000324971 0.000293310 -0.001015154 0.000659471 0.000307575 0.000026086 0.000035577 -0.001399730 -0.001829995 0.000002876 -0.000336420 -0.000520075 0.000354806 -0.003093679 -0.001368955 0.001099783 -0.000798035 -0.000698637 -0.000287740 -0.002051933 -0.001401251 -0.000174291 -0.000854282 0.000240637 0.000031866 -0.000551465 -0.001444812 -0.000096866 0.000198886 -0.000592889 -0.000030260 0.003822636 -0.001146772 0.000127594 -0.000185332 0.000659052 0.000045489 0.000031998 0.000052379 -0.000001612 -0.000346832 0.000913794 0.000060784 -0.002689338 -0.000559755 0.000160670 -0.000905632 0.001084604 0.000072869 0.000003134 0.000069833 0.000005271 0.000674073 0.000018672 -0.000025482 -0.000042144 0.000035876 -0.000000548 0.006116055 0.007408884 -0.001399649 0.001927917 -0.007512553 -0.001815675 0.001289934 -0.000254895 -0.000001053 0.009303758 0.002107770 8 -693.532763997 PT4844.900S 2026-05-19T21:43:52.000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 10 13 19 20 21 22 24 26 30 C O O C C C C C C C C C C C C C 0.538494 -0.475964 -0.441848 0.379425 0.038488 0.010507 0.042350 0.040937 -0.066295 0.184482 -0.071331 -0.054838 0.003662 0.000304 0.002067 -0.130440 -0.00000 -19.16880 -19.15330 -10.30754 -10.30421 -10.20931 -10.20641 -10.20403 -10.20135 -10.20004 -10.19606 -10.19406 -10.19382 -10.19259 -10.19243 -10.19234 -10.18693 -1.08000 -1.04237 -0.86623 -0.84103 -0.77541 -0.76837 -0.74719 -0.74273 -0.71731 -0.64334 -0.62559 -0.60788 -0.58019 -0.55554 -0.53629 -0.52050 -0.49741 -0.48505 -0.47105 -0.46959 -0.45225 -0.44907 -0.44407 -0.43600 -0.42982 -0.42216 -0.40795 -0.40529 -0.39455 -0.37743 -0.37469 -0.36703 -0.36394 -0.35427 -0.33973 -0.33597 -0.32563 -0.31208 -0.26989 -0.25339 -0.24594 -0.22522 -0.05864 -0.00589 -0.00330 0.03242 0.07778 0.07991 0.08766 0.09682 0.11695 0.12700 0.13868 0.14143 0.14354 0.16076 0.16328 0.16487 0.16761 0.17153 0.17778 0.18268 0.19115 0.20147 0.22003 0.23019 0.23334 0.23936 0.27079 0.27401 0.28860 0.29870 0.30535 0.31176 0.33098 0.34061 0.34996 0.37647 0.46091 0.49921 0.50468 0.52020 0.52054 0.53445 0.53556 0.54462 0.55098 0.56055 0.56236 0.57840 0.59204 0.59651 0.60363 0.60551 0.60864 0.61284 0.61927 0.63148 0.63753 0.64553 0.65820 0.66947 0.67747 0.69292 0.70208 0.72634 0.72895 0.73965 0.76739 0.77111 0.78302 0.81410 0.81928 0.82973 0.83303 0.83607 0.84690 0.85110 0.85338 0.85688 0.87493 0.88120 0.88517 0.89241 0.90084 0.91233 0.92238 0.92692 0.93604 0.95008 0.95513 0.97657 0.97888 0.98466 0.99512 1.01735 1.04509 1.06324 1.09235 1.10291 1.11804 1.13412 1.16559 1.17920 1.18641 1.21042 1.21130 1.25111 1.28159 1.32753 1.34002 1.35130 1.35835 1.38907 1.41234 1.42851 1.43200 1.45622 1.47597 1.48237 1.48897 1.50269 1.51195 1.56719 1.60765 1.62930 1.64896 1.65264 1.67741 1.71410 1.72000 1.75370 1.77826 1.79921 1.80358 1.81134 1.82389 1.82863 1.85047 1.87223 1.87965 1.89241 1.92081 1.92694 1.94012 1.94164 1.96830 1.97218 1.98155 1.99304 2.02839 2.03429 2.05402 2.07730 2.10027 2.11084 2.11553 2.12799 2.13996 2.14681 2.16880 2.17922 2.20421 2.23906 2.25918 2.27891 2.30283 2.30613 2.30924 2.32394 2.35934 2.40715 2.42238 2.43274 2.44247 2.44827 2.48036 2.53456 2.54644 2.58352 2.59543 2.62410 2.63859 2.66407 2.68379 2.71003 2.71707 2.72801 2.74708 2.75798 2.75935 2.79790 2.81042 2.94034 2.94838 2.96983 3.00684 3.07156 3.11875 3.40665 4.06031 4.08758 4.11275 4.12914 4.16692 4.19183 4.24947 4.27387 4.30419 4.33052 4.39957 4.54305 4.55295 4.60587 4.65110 4.71265 1-A. Mulliken charges: 1 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 C O O C C C C H H C H H C H H H H H C C C C H C H C H H H C H H 0.521437 -0.507714 -0.416517 0.422276 -0.324861 -0.336772 -0.259449 0.160366 0.189543 -0.262800 0.169064 0.169131 -0.190208 0.148001 0.157551 0.149066 0.153839 0.123406 0.184157 -0.195332 -0.185621 -0.127087 0.123731 -0.130886 0.130221 -0.129672 0.130713 0.131459 0.130710 -0.454363 0.153442 0.173170 -0.00000 0.000 0.000 0.000 0.000 0.000 0.000 279.724 33.724 280.097 -6.868 35.868 164.857 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.0385 -1.4512 1.0499 4.4179 -113.3930 -89.4186 -94.2697 -3.6418 5.2138 3.8458 -14.3659 9.6085 4.7574 -3.6418 5.2138 3.8458 -122.3795 -1.0279 -0.6459 -3.4115 -9.8570 17.3904 17.4358 -4.7878 3.7121 1.3110 -5121.3395 -691.1546 -464.2058 -78.6083 111.0885 -9.7934 10.4950 -5.6024 -8.3377 -930.4293 -946.2390 -200.4597 64.9891 0.6702 -3.8409 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 1-A -693.532764 3.977E-9 4.567E-6 2.8931644,-5.0043928,2.1112285,8.8436994,-3.1727525,3.4826394 C01 [X(C14H16O2)] 1.123937 -1.1898301 0.5849814 0.000018934 0.000008014 0.000020820 -0.000007633 -0.000009597 -0.000010937 0.000004619 -0.000006193 -0.000004071 -0.000010907 0.000004130 -0.000000940 -0.000002564 -0.000005849 0.000011004 -0.000002188 -0.000007246 -0.000006480 -0.000000284 0.000005608 0.000002116 0.000003304 0.000004464 0.000001049 -0.000000177 0.000005340 0.000000871 0.000001350 0.000004255 0.000000092 0.000000992 0.000002177 0.000001824 -0.000000803 0.000001311 -0.000001129 -0.000000156 0.000000077 0.000000796 -0.000000309 -0.000000548 0.000000580 -0.000001316 -0.000000072 -0.000000283 -0.000001989 -0.000002003 0.000000129 -0.000002596 -0.000000101 -0.000000151 0.000000149 -0.000000040 0.000000875 0.000000633 0.000000123 0.000000014 0.000000029 -0.000000013 0.000000557 0.000000345 0.000000264 -0.000000852 0.000000235 0.000000201 0.000000249 0.000000117 0.000000077 0.000001308 -0.000000058 0.000000046 -0.000001245 -0.000000027 -0.000000245 -0.000001209 0.000000170 0.000000147 -0.000000676 0.000000199 0.000000127 0.000000655 0.000000145 0.000000080 -0.000001891 0.000000204 0.000000142 -0.000000943 0.000003564 -0.000009863 -0.000010038 -0.000003217 0.000003849 -0.000000369 -0.000000766 0.000001336 -0.000001724 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2802,3.8995,-.3424;1.6451,4.4871,.4796;-.0566,4.4932,-1.3134;2.3369,3.4022,.3342;2.8735,2.976,-1.0105;3.0171,2.8045,1.5367;3.0736,1.4578,-1.1167;3.85,3.4824,-1.1038;2.2421,3.3667,-1.8127;3.2086,1.2836,1.409;4.0033,3.2934,1.6066;2.464,3.0797,2.4396;3.8798,.8946,.0736;3.5818,1.2138,-2.0562;2.0858,.9836,-1.1496;3.8079,.9135,2.2483;2.2269,.8001,1.4763;4.8713,1.3718,.0543;4.0863,-.6056,-.0363;5.3753,-1.1447,-.1241;2.9949,-1.4871,-.0505;5.5743,-2.5233,-.2233;6.234,-.4767,-.1152;3.188,-2.8646,-.1491;1.9833,-1.094,.0151;4.48,-3.3886,-.236;6.5843,-2.9191,-.2909;2.3286,-3.53,-.1588;4.6311,-4.4619,-.3133;.1201,2.6828,.3234;-.6758,2.0364,-.0435;.3111,2.6475,1.3862; Gaussian 16 GINC-A4 ERMJ26 TS2 Carbene ES64L-G16RevC.01 90 C1[X(C14H16O2)] RB3LYP 6-31G(d) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2802,3.8995,-.3424;1.6451,4.4871,.4796;-.0566,4.4932,-1.3134;2.3369,3.4022,.3342;2.8735,2.976,-1.0105;3.0171,2.8045,1.5367;3.0736,1.4578,-1.1167;3.85,3.4824,-1.1038;2.2421,3.3667,-1.8127;3.2086,1.2836,1.409;4.0033,3.2934,1.6066;2.464,3.0797,2.4396;3.8798,.8946,.0736;3.5818,1.2138,-2.0562;2.0858,.9836,-1.1496;3.8079,.9135,2.2483;2.2269,.8001,1.4763;4.8713,1.3718,.0543;4.0863,-.6056,-.0363;5.3753,-1.1447,-.1241;2.9949,-1.4871,-.0505;5.5743,-2.5233,-.2233;6.234,-.4767,-.1152;3.188,-2.8646,-.1491;1.9833,-1.094,.0151;4.48,-3.3886,-.236;6.5843,-2.9191,-.2909;2.3286,-3.53,-.1588;4.6311,-4.4619,-.3133;.1201,2.6828,.3234;-.6758,2.0364,-.0435;.3111,2.6475,1.3862; TS2 Carbene Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 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 1 1 1 2 4 4 5 5 5 6 6 6 7 7 7 10 10 10 13 13 19 19 20 20 21 21 22 22 24 24 26 30 30 2 3 30 4 5 6 7 8 9 10 11 12 13 14 15 13 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 31 32 1.6983 1.1868 1.3962 1.295 1.5092 1.5053 1.535 1.104 1.093 1.5382 1.1029 1.094 1.544 1.0956 1.0963 1.5443 1.0957 1.0963 1.1005 1.5184 1.4 1.403 1.3964 1.088 1.3945 1.0872 1.3951 1.0869 1.3969 1.0869 1.0866 1.089 1.0804 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 2 2 5 4 4 4 7 7 8 4 4 4 10 10 11 5 5 5 13 13 14 6 6 6 13 13 16 7 7 7 10 10 18 13 13 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 31 1 1 1 2 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 30 30 30 3 30 30 4 5 6 6 7 8 9 8 9 9 10 11 12 11 12 12 13 14 15 14 15 15 13 16 17 16 17 17 10 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 31 32 32 116.8072 99.372 142.5155 94.8807 121.7782 118.9685 116.0386 112.7879 105.0815 110.3372 109.4225 112.2146 106.5579 112.489 106.182 109.3266 109.4085 112.3455 106.7468 112.0542 109.8792 108.2061 109.7359 109.6221 107.2118 112.0172 109.7821 108.6302 109.8537 109.3419 107.0814 110.3578 107.3859 112.0625 107.3056 111.7483 107.7304 120.6831 121.045 118.2719 121.0547 119.326 119.6193 120.9041 119.7365 119.3594 120.0814 119.7593 120.1593 120.2043 119.7234 120.0723 119.4837 120.2848 120.2315 116.1283 118.5143 116.1796 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 30 2 2 3 3 1 1 2 2 2 6 6 6 2 2 2 5 5 5 4 4 4 8 8 8 9 9 9 4 4 4 11 11 11 12 12 12 5 5 5 14 14 14 15 15 15 6 6 6 16 16 16 17 17 17 7 7 10 10 18 18 13 13 21 21 13 13 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 28 1 1 1 1 1 1 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 2 2 30 30 30 30 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 26 26 26 26 26 26 26 26 4 4 31 32 31 32 5 6 7 8 9 7 8 9 10 11 12 10 11 12 13 14 15 13 14 15 13 14 15 13 16 17 13 16 17 13 16 17 10 18 19 10 18 19 10 18 19 7 18 19 7 18 19 7 18 19 20 21 20 21 20 21 22 23 22 23 24 25 24 25 26 27 26 27 26 28 26 28 24 29 24 29 22 29 22 29 -119.6874 50.2087 -176.4947 37.8434 -11.4048 -157.0667 70.1165 -130.9468 -153.6187 87.2535 -27.244 46.8658 -72.2621 173.2405 152.8025 -87.5527 27.2641 -47.0766 72.5682 -172.615 -50.4847 -172.7553 70.4906 66.0911 -56.1794 -172.9336 -175.8483 61.8811 -54.873 51.1083 173.4354 -69.7783 -66.6445 55.6826 172.469 174.9876 -62.6853 54.101 55.1771 -61.4805 -179.5949 177.5293 60.8718 -57.2427 -64.9766 178.3659 60.2514 -55.5201 61.1874 179.0736 -177.8064 -61.0989 56.7873 64.9537 -178.3388 -60.4526 118.5721 -61.534 -116.9688 62.9251 0.6626 -179.4435 179.8978 -0.1377 0.001 179.9655 -179.8851 0.1861 0.0113 -179.9175 -0.0149 179.9665 -179.9793 0.0021 -0.0097 -179.9693 179.9193 -0.0403 0.0164 179.9854 -179.9648 0.0041 -0.0043 -179.9732 179.9552 -0.0138 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.07712 0.00246 0.00444 0.00510 0.00619 0.01274 0.01625 0.01723 0.01753 0.01808 0.01838 0.02172 0.02375 0.02465 0.02484 0.02649 0.02749 0.02845 0.03089 0.03828 0.03936 0.04122 0.04133 0.04451 0.04813 0.04957 0.05010 0.05091 0.05766 0.06009 0.06456 0.07044 0.07663 0.07811 0.07895 0.08363 0.08727 0.09663 0.11243 0.11467 0.11644 0.11927 0.12302 0.12575 0.12613 0.13159 0.13191 0.17366 0.18238 0.19046 0.19117 0.19227 0.19500 0.20807 0.21142 0.21568 0.23392 0.24919 0.25034 0.25541 0.28046 0.28445 0.28974 0.29597 0.31284 0.31499 0.32286 0.32710 0.32814 0.33347 0.33506 0.34056 0.34163 0.34392 0.34785 0.35570 0.35865 0.35896 0.35948 0.36039 0.36167 0.37882 0.41882 0.42372 0.47241 0.47351 0.49725 0.51223 0.69982 0.95331 R1 D4 R4 D2 D3 1 -0.70848 0.27678 0.23034 -0.22186 0.21276 A4 A1 A3 D7 R3 Angle between quadratic step and forces= 74.22 degrees. 1 2 0.00016189 0.00000003 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 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 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 3.20925 2.24275 2.63838 2.44711 2.85201 2.84460 2.90065 2.08621 2.06553 2.90685 2.08423 2.06742 2.91767 2.07047 2.07163 2.91837 2.07059 2.07179 2.07970 2.86927 2.64553 2.65136 2.63883 2.05605 2.63519 2.05460 2.63638 2.05397 2.63983 2.05399 2.05344 2.05800 2.04170 2.03867 1.73437 2.48736 1.65598 2.12543 2.07639 2.02526 1.96852 1.83402 1.92575 1.90978 1.95851 1.85979 1.96330 1.85322 1.90811 1.90954 1.96080 1.86308 1.95572 1.91775 1.88855 1.91525 1.91327 1.87120 1.95507 1.91606 1.89595 1.91731 1.90838 1.86892 1.92611 1.87424 1.95586 1.87284 1.95038 1.88025 2.10632 2.11263 2.06423 2.11280 2.08263 2.08775 2.11017 2.08980 2.08321 2.09582 2.09019 2.09718 2.09796 2.08957 2.09566 2.08538 2.09937 2.09844 2.02682 2.06847 2.02772 -2.08894 0.87631 -3.08041 0.66049 -0.19905 -2.74133 1.22376 -2.28545 -2.68115 1.52286 -0.47550 0.81796 -1.26121 3.02362 2.66691 -1.52808 0.47585 -0.82164 1.26655 -3.01270 -0.88112 -3.01515 1.23029 1.15351 -0.98052 -3.01826 -3.06913 1.08003 -0.95771 0.89201 3.02702 -1.21786 -1.16317 0.97185 3.01015 3.05411 -1.09407 0.94424 0.96302 -1.07304 -3.13452 3.09847 1.06241 -0.99907 -1.13406 3.11307 1.05159 -0.96901 1.06792 3.12542 -3.10331 -1.06638 0.99113 1.13366 -3.11260 -1.05510 2.06947 -1.07397 -2.04149 1.09825 0.01156 -3.13188 3.13981 -0.00240 0.00002 3.14099 -3.13959 0.00325 0.00020 -3.14015 -0.00026 3.14101 -3.14123 0.00004 -0.00017 -3.14106 3.14018 -0.00070 0.00029 3.14134 -3.14098 0.00007 -0.00007 -3.14113 3.14081 -0.00024 -0.00002 -0.00000 -0.00000 -0.00002 -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 0.00001 -0.00001 -0.00003 -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 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00035 0.00004 -0.00002 -0.00003 -0.00005 -0.00004 -0.00001 0.00002 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 -0.00001 0.00000 0.00001 0.00014 -0.00015 0.00008 0.00002 0.00004 0.00001 -0.00004 0.00000 -0.00001 0.00002 0.00004 -0.00001 -0.00003 0.00002 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00003 0.00030 0.00028 -0.00027 -0.00035 -0.00025 -0.00033 -0.00026 -0.00004 0.00036 0.00035 0.00037 0.00014 0.00013 0.00015 -0.00031 -0.00030 -0.00029 -0.00010 -0.00009 -0.00009 -0.00007 -0.00009 -0.00009 -0.00008 -0.00009 -0.00009 -0.00006 -0.00007 -0.00007 -0.00000 0.00002 0.00001 -0.00001 0.00001 0.00000 -0.00003 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00001 0.00003 0.00002 0.00002 0.00004 0.00004 0.00004 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00002 0.00003 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00035 0.00004 -0.00002 -0.00003 -0.00005 -0.00004 -0.00001 0.00002 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 -0.00001 0.00000 0.00001 0.00014 -0.00015 0.00008 0.00002 0.00004 0.00001 -0.00004 0.00000 -0.00001 0.00002 0.00004 -0.00001 -0.00003 0.00002 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00003 0.00030 0.00028 -0.00027 -0.00035 -0.00025 -0.00033 -0.00026 -0.00004 0.00036 0.00035 0.00037 0.00014 0.00013 0.00015 -0.00031 -0.00030 -0.00029 -0.00010 -0.00009 -0.00009 -0.00007 -0.00009 -0.00009 -0.00008 -0.00009 -0.00009 -0.00006 -0.00007 -0.00007 -0.00000 0.00002 0.00001 -0.00001 0.00001 0.00000 -0.00003 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 0.00002 0.00001 0.00001 0.00003 0.00002 0.00002 0.00004 0.00004 0.00004 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00003 0.00003 0.00002 0.00003 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 3.20890 2.24279 2.63836 2.44708 2.85196 2.84456 2.90064 2.08622 2.06553 2.90685 2.08424 2.06742 2.91767 2.07047 2.07163 2.91837 2.07058 2.07180 2.07970 2.86927 2.64553 2.65136 2.63883 2.05605 2.63519 2.05460 2.63638 2.05397 2.63983 2.05399 2.05344 2.05799 2.04170 2.03868 1.73451 2.48721 1.65606 2.12545 2.07643 2.02526 1.96848 1.83402 1.92574 1.90980 1.95855 1.85977 1.96327 1.85324 1.90810 1.90955 1.96081 1.86308 1.95570 1.91778 1.88853 1.91526 1.91327 1.87120 1.95508 1.91607 1.89593 1.91731 1.90838 1.86892 1.92611 1.87424 1.95586 1.87284 1.95037 1.88025 2.10632 2.11263 2.06423 2.11280 2.08263 2.08775 2.11017 2.08980 2.08321 2.09582 2.09019 2.09718 2.09796 2.08957 2.09566 2.08538 2.09937 2.09844 2.02682 2.06848 2.02774 -2.08864 0.87658 -3.08068 0.66014 -0.19930 -2.74166 1.22351 -2.28549 -2.68079 1.52321 -0.47513 0.81810 -1.26108 3.02377 2.66660 -1.52838 0.47555 -0.82174 1.26646 -3.01279 -0.88120 -3.01524 1.23021 1.15343 -0.98061 -3.01835 -3.06919 1.07996 -0.95778 0.89201 3.02703 -1.21785 -1.16318 0.97185 3.01015 3.05408 -1.09408 0.94422 0.96302 -1.07305 -3.13453 3.09849 1.06243 -0.99906 -1.13403 3.11309 1.05161 -0.96897 1.06796 3.12546 -3.10329 -1.06636 0.99114 1.13367 -3.11258 -1.05508 2.06950 -1.07394 -2.04146 1.09828 0.01159 -3.13185 3.13981 -0.00240 0.00002 3.14099 -3.13959 0.00325 0.00020 -3.14015 -0.00026 3.14101 -3.14123 0.00004 -0.00017 -3.14106 3.14018 -0.00070 0.00029 3.14134 -3.14098 0.00007 -0.00008 -3.14113 3.14081 -0.00024 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000032 0.000004 0.000836 0.000162 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.051906e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 1 1 1 2 4 4 5 5 5 6 6 6 7 7 7 10 10 10 13 13 19 19 20 20 21 21 22 22 24 24 26 30 30 2 3 30 4 5 6 7 8 9 10 11 12 13 14 15 13 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 31 32 1.6983 1.1868 1.3962 1.295 1.5092 1.5053 1.535 1.104 1.093 1.5382 1.1029 1.094 1.544 1.0956 1.0963 1.5443 1.0957 1.0963 1.1005 1.5184 1.4 1.403 1.3964 1.088 1.3945 1.0872 1.3951 1.0869 1.3969 1.0869 1.0866 1.089 1.0804 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 2 2 5 4 4 4 7 7 8 4 4 4 10 10 11 5 5 5 13 13 14 6 6 6 13 13 16 7 7 7 10 10 18 13 13 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 31 1 1 1 2 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 30 30 30 3 30 30 4 5 6 6 7 8 9 8 9 9 10 11 12 11 12 12 13 14 15 14 15 15 13 16 17 16 17 17 10 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 31 32 32 116.8072 99.372 142.5155 94.8807 121.7782 118.9685 116.0386 112.7879 105.0815 110.3372 109.4225 112.2146 106.5579 112.489 106.182 109.3266 109.4085 112.3455 106.7468 112.0542 109.8792 108.2061 109.7359 109.6221 107.2118 112.0172 109.7821 108.6302 109.8537 109.3419 107.0814 110.3578 107.3859 112.0625 107.3056 111.7483 107.7304 120.6831 121.045 118.2719 121.0547 119.326 119.6193 120.9041 119.7365 119.3594 120.0814 119.7593 120.1593 120.2043 119.7234 120.0723 119.4837 120.2848 120.2315 116.1283 118.5143 116.1796 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 30 2 2 3 3 1 1 2 2 2 6 6 6 2 2 2 5 5 5 4 4 4 8 8 8 9 9 9 4 4 4 11 11 11 12 12 12 5 5 5 14 14 14 15 15 15 6 6 6 16 16 16 17 17 17 7 7 10 10 18 18 13 13 21 21 13 13 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 1 1 1 1 1 1 2 2 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 2 2 30 30 30 30 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 24 26 26 26 26 26 26 26 4 4 31 32 31 32 5 6 7 8 9 7 8 9 10 11 12 10 11 12 13 14 15 13 14 15 13 14 15 13 16 17 13 16 17 13 16 17 10 18 19 10 18 19 10 18 19 7 18 19 7 18 19 7 18 19 20 21 20 21 20 21 22 23 22 23 24 25 24 25 26 27 26 27 26 28 26 28 24 29 24 29 22 29 22 -119.6874 50.2087 -176.4947 37.8434 -11.4048 -157.0667 70.1165 -130.9468 -153.6187 87.2535 -27.244 46.8658 -72.2621 173.2405 152.8025 -87.5527 27.2641 -47.0766 72.5682 -172.615 -50.4847 -172.7553 70.4906 66.0911 -56.1794 -172.9336 -175.8483 61.8811 -54.873 51.1083 173.4354 -69.7783 -66.6445 55.6826 172.469 174.9876 -62.6853 54.101 55.1771 -61.4805 -179.5949 177.5293 60.8718 -57.2427 -64.9766 178.3659 60.2514 -55.5201 61.1874 179.0736 -177.8064 -61.0989 56.7873 64.9537 -178.3388 -60.4526 118.5721 -61.534 -116.9688 62.9251 0.6626 -179.4435 179.8978 -0.1377 0.001 179.9655 -179.8851 0.1861 0.0113 -179.9175 -0.0149 179.9665 -179.9793 0.0021 -0.0097 -179.9693 179.9193 -0.0403 0.0164 179.9854 -179.9648 0.0041 -0.0043 -179.9732 179.9552 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-31G(d) (6D, 7F) 272 A 272 A 272 512 272 58 58 1056.8949946173 32 32 32 1.00e+00 60 F 0.000000 1.698260 0.000000 1.186811 2.471954 0.000000 2.221534 1.294956 3.103775 0.000000 2.832741 2.452169 3.313454 1.509221 0.000000 3.495837 2.414754 4.519062 1.505299 2.556997 0.000000 3.790071 3.710235 4.364665 2.535422 1.534957 2.976125 0.000000 3.673845 2.894522 4.040676 2.088910 1.103973 2.850470 2.168371 0.000000 2.508897 2.620394 2.608129 2.149210 1.093031 3.483492 2.195325 1.761034 0.000000 4.299550 3.683886 5.326728 2.530514 2.971601 1.538240 2.535304 3.400007 3.956299 0.000000 4.245873 2.873314 5.142765 2.099463 2.868232 1.102925 3.413295 2.721311 3.846902 2.170291 0.000000 3.630529 2.548098 4.736635 2.133749 3.475860 1.094032 3.955953 3.826016 4.267680 2.200619 1.763155 0.000000 4.707332 4.250226 5.510684 2.955651 2.553361 2.555831 1.543964 2.843131 3.514342 1.544334 2.849522 3.518064 0.000000 4.588089 4.571202 4.954177 3.471678 2.168012 3.969640 1.095648 2.474949 2.547308 3.485945 4.233089 4.994327 2.174109 0.000000 3.523400 3.888903 4.115075 2.848551 2.146941 3.376285 1.096259 3.059176 2.478536 2.810180 4.075437 4.173636 2.173108 1.764386 0.000000 5.298383 4.536161 6.358745 3.467159 3.968218 2.169706 3.486954 4.223425 4.996108 1.095706 2.472666 2.556397 2.175983 4.320913 3.810039 0.000000 4.087057 3.863440 5.160965 2.843837 3.367023 2.155378 2.805974 4.060294 4.171929 1.096346 3.064170 2.486110 2.169904 3.806046 2.636144 1.763022 0.000000 5.255946 4.504947 5.991465 3.259422 2.774627 2.772703 2.147195 2.615136 3.791820 2.146458 2.618376 3.794905 1.100532 2.478358 3.059287 2.480764 3.056385 0.000000 5.905568 5.671082 6.692637 4.388564 3.904773 3.904603 2.539748 4.231622 4.725994 2.535355 4.231846 4.726856 1.518351 2.764929 2.786904 2.757620 2.778712 2.129395 0.000000 7.172971 6.782044 7.918654 5.487767 4.901477 4.890305 3.613311 4.969514 5.746338 3.597388 4.957309 5.735283 2.536654 3.537292 4.049943 3.510123 4.031835 2.572634 1.399953 0.000000 6.039057 6.147710 6.831540 4.948311 4.566762 4.575729 3.132995 5.151362 5.218337 3.138831 5.159121 5.228575 2.543847 3.415081 2.852866 3.421717 2.855192 3.421278 1.403040 2.406053 0.000000 8.324287 8.067121 9.062317 6.775119 6.177024 6.166176 4.785461 6.310022 6.951327 4.769993 6.296910 6.939615 3.826466 4.614730 5.032470 4.586963 5.013820 3.967713 2.434485 1.396407 2.785134 0.000000 7.392624 6.786133 8.105983 5.516792 4.900570 4.882971 3.838429 4.725997 5.795527 3.817709 4.706913 5.778238 2.731098 3.695906 4.517779 3.661273 4.496685 2.302746 2.153063 1.088016 3.393736 2.153027 0.000000 7.365204 7.538176 8.125275 6.342747 5.912119 5.916908 4.430881 6.452433 6.518511 4.431187 6.455145 6.523848 3.828847 4.519513 4.126084 4.517275 4.122607 4.563074 2.433687 2.782583 1.394480 2.411671 3.870588 0.000000 5.288072 5.610668 6.094472 4.521358 4.290581 4.310758 2.996954 5.067550 4.827566 3.016190 5.085612 4.850733 2.748617 3.488832 2.384007 3.513787 2.404663 3.797680 2.159611 3.395244 1.087249 3.872332 4.297341 2.147878 0.000000 8.412319 8.400993 9.157771 7.143741 6.609762 6.605846 5.122677 6.954201 7.288925 5.113888 6.947855 7.284403 4.336207 5.030213 5.067891 5.013138 5.055097 4.785271 2.817864 2.418518 2.419923 1.395112 3.401545 1.396937 3.400314 0.000000 9.286431 8.935410 10.004435 7.641291 7.002835 6.987426 5.671357 7.008290 7.789823 5.652183 6.989845 7.772891 4.689575 5.404879 6.017061 5.370700 5.995177 4.633050 3.414280 2.153616 3.872023 1.086916 2.473642 3.399663 4.959236 2.156709 0.000000 7.708907 8.071503 8.449458 6.949671 6.584034 6.593521 5.133292 7.237459 7.092702 5.138364 7.244353 7.103415 4.694402 5.260656 4.627410 5.265652 4.629672 5.526104 3.414177 3.869487 2.151509 3.398803 4.957499 1.086927 2.466459 2.157436 4.301328 0.000000 9.425754 9.467347 10.157187 8.217453 7.674472 7.669956 6.173706 8.021670 8.321200 6.164451 8.014129 8.315711 5.422841 6.029376 6.068909 6.011199 6.055719 5.850218 3.904498 3.404961 3.405282 2.157805 4.300114 2.158883 4.296687 1.086634 2.489174 2.488703 0.000000 1.396172 2.367616 2.446941 2.330624 3.073491 3.143177 3.506831 4.072867 3.087598 3.560224 4.135034 3.182722 4.170712 4.450163 2.986821 4.520572 3.051656 4.936084 5.164636 6.516666 5.078603 7.559787 6.896013 6.356842 4.222681 7.495633 8.575817 6.611289 8.473595 0.000000 2.115306 3.415642 2.834013 3.329360 3.796774 4.089621 3.942707 4.868079 3.662484 4.214905 5.118325 4.136801 4.697939 4.780705 3.155698 5.159196 3.502071 5.587654 5.445903 6.836802 5.088135 7.738669 7.353033 6.241842 4.107783 7.486734 8.793623 6.326518 8.394316 1.089047 0.000000 2.134670 2.446631 3.290810 2.404275 3.523972 2.714804 3.913044 4.406971 3.805140 3.202593 3.754779 2.435513 4.187009 4.960216 3.514081 3.997231 2.662989 4.919054 5.182503 6.504462 5.134356 7.551748 6.862691 6.404481 4.321486 7.513098 8.552958 6.679742 8.490862 1.080422 1.841619 0.000000 C14H16O2 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 0 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:3.7033,.9206,-.0054;3.5461,-.748,.2688;4.3879,1.251,-.9168;2.2616,-.766,.1049;1.6302,-.5554,-1.2496;1.405,-1.4547,1.1334;.2085,.0165,-1.1603;1.5941,-1.5587,-1.7088;2.2816,.0534,-1.8819;-.0147,-.8671,1.2055;1.3487,-2.5129,.8278;1.9139,-1.4328,2.1017;-.6796,-.7872,-.1861;-.251,.0295,-2.1549;.2785,1.0568,-.8217;-.6325,-1.4716,1.8789;.0439,.1386,1.6382;-.7487,-1.8143,-.5753;-2.0887,-.2276,-.1051;-3.1895,-1.0068,-.4805;-2.3233,1.0793,.3484;-4.4889,-.5007,-.4071;-3.0273,-2.0225,-.8353;-3.6189,1.5895,.4238;-1.4855,1.7058,.6447;-4.708,.8005,.046;-5.3282,-1.124,-.7045;-3.7785,2.6048,.7775;-5.7177,1.1978,.1042;2.7193,1.3882,.8677;2.5459,2.4633,.8633;2.5928,.8888,1.8173; 1.4076074 0.2483938 0.2368985 1 -693.532763997 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=706935188. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 1.25D-14 1.01D-09 XBig12= 2.04D+02 7.95D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 1.25D-14 1.01D-09 XBig12= 3.84D+01 1.24D+00. 96 vectors produced by pass 2 Test12= 1.25D-14 1.01D-09 XBig12= 3.56D-01 4.77D-02. 96 vectors produced by pass 3 Test12= 1.25D-14 1.01D-09 XBig12= 9.78D-04 3.19D-03. 96 vectors produced by pass 4 Test12= 1.25D-14 1.01D-09 XBig12= 1.15D-06 9.83D-05. 73 vectors produced by pass 5 Test12= 1.25D-14 1.01D-09 XBig12= 1.08D-09 3.33D-06. 7 vectors produced by pass 6 Test12= 1.25D-14 1.01D-09 XBig12= 7.24D-13 7.95D-08. 3 vectors produced by pass 7 Test12= 1.25D-14 1.01D-09 XBig12= 5.56D-16 2.34D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 563 with 99 vectors. Isotropic polarizability for W= 0.000000 149.48 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT1886.900S 2026-05-19T21:45:52.000 -19.16880 -19.15330 -10.30754 -10.30421 -10.20931 -10.20641 -10.20403 -10.20135 -10.20004 -10.19606 -10.19406 -10.19382 -10.19259 -10.19243 -10.19234 -10.18693 -1.08000 -1.04237 -0.86623 -0.84103 -0.77541 -0.76837 -0.74719 -0.74273 -0.71731 -0.64334 -0.62559 -0.60788 -0.58019 -0.55554 -0.53629 -0.52050 -0.49741 -0.48505 -0.47105 -0.46959 -0.45225 -0.44907 -0.44407 -0.43600 -0.42982 -0.42216 -0.40795 -0.40529 -0.39455 -0.37743 -0.37469 -0.36703 -0.36394 -0.35427 -0.33973 -0.33597 -0.32563 -0.31208 -0.26989 -0.25339 -0.24594 -0.22522 -0.05864 -0.00589 -0.00330 0.03242 0.07778 0.07991 0.08766 0.09682 0.11695 0.12700 0.13868 0.14143 0.14354 0.16076 0.16328 0.16487 0.16761 0.17153 0.17778 0.18268 0.19115 0.20147 0.22003 0.23019 0.23334 0.23936 0.27079 0.27400 0.28860 0.29870 0.30535 0.31176 0.33098 0.34061 0.34996 0.37647 0.46091 0.49921 0.50468 0.52020 0.52054 0.53445 0.53556 0.54462 0.55098 0.56055 0.56236 0.57840 0.59204 0.59651 0.60363 0.60551 0.60864 0.61284 0.61927 0.63148 0.63753 0.64553 0.65820 0.66947 0.67747 0.69292 0.70208 0.72634 0.72895 0.73965 0.76739 0.77111 0.78302 0.81410 0.81928 0.82973 0.83303 0.83607 0.84690 0.85110 0.85338 0.85688 0.87493 0.88120 0.88517 0.89241 0.90084 0.91233 0.92238 0.92692 0.93604 0.95008 0.95513 0.97657 0.97888 0.98466 0.99512 1.01735 1.04509 1.06324 1.09235 1.10291 1.11804 1.13412 1.16559 1.17920 1.18641 1.21042 1.21130 1.25111 1.28159 1.32753 1.34002 1.35130 1.35835 1.38907 1.41234 1.42851 1.43200 1.45622 1.47597 1.48237 1.48897 1.50269 1.51195 1.56719 1.60765 1.62930 1.64896 1.65264 1.67741 1.71410 1.72000 1.75370 1.77826 1.79921 1.80358 1.81134 1.82389 1.82863 1.85047 1.87223 1.87965 1.89241 1.92081 1.92694 1.94012 1.94164 1.96830 1.97218 1.98155 1.99304 2.02839 2.03429 2.05402 2.07730 2.10027 2.11084 2.11553 2.12799 2.13996 2.14681 2.16880 2.17922 2.20421 2.23906 2.25918 2.27891 2.30283 2.30613 2.30924 2.32394 2.35934 2.40715 2.42238 2.43274 2.44247 2.44827 2.48036 2.53456 2.54644 2.58352 2.59543 2.62410 2.63859 2.66407 2.68379 2.71003 2.71707 2.72801 2.74708 2.75798 2.75935 2.79790 2.81042 2.94034 2.94838 2.96983 3.00684 3.07156 3.11875 3.40665 4.06031 4.08758 4.11275 4.12914 4.16692 4.19183 4.24947 4.27387 4.30419 4.33052 4.39957 4.54305 4.55295 4.60587 4.65110 4.71265 1-A. Mulliken charges: 1 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 C O O C C C C H H C H H C H H H H H C C C C H C H C H H H C H H 0.521437 -0.507714 -0.416518 0.422276 -0.324862 -0.336772 -0.259449 0.160366 0.189544 -0.262800 0.169064 0.169131 -0.190208 0.148001 0.157551 0.149066 0.153839 0.123406 0.184157 -0.195332 -0.185621 -0.127087 0.123731 -0.130885 0.130221 -0.129672 0.130713 0.131459 0.130710 -0.454363 0.153442 0.173170 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 10 13 19 20 21 22 24 26 30 C O O C C C C C C C C C C C C C 0.521437 -0.507714 -0.416518 0.422276 0.025048 0.001423 0.046103 0.040105 -0.066802 0.184157 -0.071602 -0.055400 0.003626 0.000573 0.001038 -0.127751 0.00000 195.812 8.387 149.070 -2.027 13.528 103.552 269.990 16.745 274.725 -10.354 30.613 166.785 -460.9795 -6.7866 -3.2038 -0.0007 -0.0005 0.0006 4.0802 37.8233 41.9248 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -460.9795 37.8186 41.9234 83.0366 112.0244 130.1231 149.7404 210.6670 236.7375 274.4577 292.5520 315.7790 355.8490 417.8570 431.8018 470.5872 482.1028 500.9496 518.2759 552.8741 580.6553 635.2824 670.7085 679.0074 709.4257 716.9707 775.9946 779.2062 789.1724 820.2135 846.4697 860.1944 892.9829 921.0313 934.6543 966.6448 976.7236 993.6539 995.9093 1017.6761 1037.8368 1059.2973 1063.2887 1087.2163 1093.3411 1107.7371 1131.2704 1140.6507 1202.0436 1213.2575 1224.9706 1228.2152 1235.5867 1295.3674 1302.5341 1315.1710 1334.4100 1361.8873 1370.2862 1374.8127 1376.8788 1401.6212 1424.6418 1487.5104 1494.8554 1503.6974 1504.5717 1512.6363 1522.0669 1529.1539 1547.9374 1643.5661 1665.7130 1982.8006 2989.8533 3003.7034 3009.6201 3058.0379 3061.3786 3101.3212 3105.0401 3111.5032 3124.1419 3158.5479 3170.8566 3176.9310 3187.3084 3196.0846 3208.1385 3281.0388 6.0727 4.0124 5.3950 4.6391 5.4773 4.1263 3.5462 3.1558 4.9495 3.2869 3.1870 2.7460 2.9505 2.9951 3.2373 3.1109 2.5031 2.6511 5.0052 3.3319 4.3384 6.3977 3.4174 3.3985 1.8074 1.7879 1.9503 2.0626 1.6636 1.4805 2.1449 1.2460 2.9531 1.4320 1.3727 1.3614 2.1839 2.4040 1.2690 6.1799 2.0700 1.6300 1.9996 1.6565 2.3753 2.2473 1.9847 1.5817 1.1091 1.9309 1.1732 1.6675 1.7067 1.5338 1.5271 2.0242 1.3616 1.4481 2.1805 1.5583 1.4051 1.3898 1.4897 1.0991 1.4591 1.3285 1.7714 1.0898 1.5740 1.3738 2.1492 5.2953 5.4456 11.6823 1.0717 1.0721 1.0819 1.0595 1.0601 1.1041 1.1043 1.0925 1.0899 1.0629 1.0867 1.0864 1.0900 1.0940 1.0980 1.1068 0.7603 0.0034 0.0056 0.0188 0.0405 0.0412 0.0468 0.0825 0.1634 0.1459 0.1607 0.1613 0.2201 0.3081 0.3556 0.4059 0.3428 0.3920 0.7921 0.6001 0.8618 1.5213 0.9057 0.9232 0.5360 0.5415 0.6919 0.7378 0.6105 0.5868 0.9055 0.5432 1.3875 0.7157 0.7065 0.7495 1.2275 1.3985 0.7416 3.7710 1.3137 1.0777 1.3320 1.1536 1.6730 1.6247 1.4965 1.2125 0.9442 1.6746 1.0373 1.4820 1.5352 1.5163 1.5265 2.0629 1.4285 1.5825 2.4123 1.7354 1.5695 1.6086 1.7814 1.4329 1.9210 1.7698 2.3626 1.4691 2.1484 1.8927 3.0342 8.4279 8.9022 27.0606 5.6445 5.6992 5.7735 5.8374 5.8539 6.2569 6.2730 6.2315 6.2676 6.2476 6.4373 6.4601 6.5240 6.5844 6.6580 7.0199 13.0796 0.2465 0.8313 1.5756 3.1867 3.1450 0.2686 26.4688 2.2549 29.8089 0.7211 20.2434 1.5389 0.0491 24.9746 27.6258 2.4509 3.1734 9.9508 3.7014 40.5288 0.0488 19.3752 27.6057 18.7979 25.1833 25.2145 17.0005 15.0923 64.7506 33.1255 0.0066 7.3494 3.8126 0.2913 0.1595 4.9890 7.5808 0.1004 1.1263 2.0486 5.8528 0.6344 1.0443 3.9991 5.2341 34.9188 0.1489 0.0721 25.5740 1.7505 4.7827 13.8197 15.5859 5.9165 11.2275 0.1608 29.4632 3.9088 10.8492 11.2628 1.1822 2.7719 7.2457 56.5076 19.8526 3.4315 4.3827 24.5253 31.2916 15.2615 1.6100 6.7002 638.5475 7.0221 7.2437 31.3289 21.6784 19.4373 24.0028 22.3721 15.1862 3.6971 4.3295 9.4852 4.1254 10.1051 40.4540 22.1003 0.9448 -0.05 0.42 -0.02 -0.13 -0.21 0.07 0.02 0.01 -0.06 0.07 -0.32 -0.08 0.01 -0.03 -0.01 -0.04 -0.06 0.00 0.02 0.00 0.02 -0.04 0.01 -0.10 0.05 -0.01 0.04 -0.00 0.01 -0.00 -0.12 -0.09 0.10 0.00 -0.03 -0.02 0.00 0.00 -0.00 0.03 0.03 0.01 0.04 -0.01 0.04 -0.02 0.05 0.01 0.03 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.12 0.23 0.07 0.43 0.27 0.38 -0.25 -0.11 -0.17 -0.02 0.01 0.08 -0.01 -0.00 0.01 0.01 0.05 0.11 -0.00 -0.01 -0.03 0.03 0.02 -0.04 -0.03 -0.05 -0.07 0.03 0.02 -0.06 0.04 0.03 -0.06 0.05 0.03 -0.00 -0.02 -0.04 -0.08 -0.02 -0.04 -0.11 -0.05 -0.08 -0.06 0.00 0.01 -0.10 0.05 0.04 -0.07 0.04 0.01 -0.04 -0.04 -0.06 -0.12 -0.03 -0.05 -0.06 -0.01 0.02 -0.12 0.01 0.02 -0.07 -0.02 -0.05 0.17 0.04 0.08 -0.22 -0.02 -0.06 0.26 -0.05 -0.10 0.30 0.04 0.07 -0.15 0.07 0.12 -0.40 0.01 -0.00 0.09 -0.05 -0.12 0.45 0.07 0.12 -0.27 0.01 -0.01 0.15 -0.05 -0.04 0.06 -0.07 -0.04 0.09 -0.08 -0.07 0.04 0.17 -0.10 0.00 -0.01 -0.09 -0.04 0.19 -0.15 -0.00 -0.02 0.04 -0.01 -0.02 0.14 0.01 -0.04 0.08 -0.00 -0.01 0.17 0.04 -0.06 0.17 -0.05 -0.01 0.15 0.04 -0.03 0.11 -0.00 -0.07 0.08 0.00 -0.04 0.07 -0.01 -0.01 0.12 -0.01 -0.01 0.24 0.04 0.01 0.15 0.11 -0.04 0.13 -0.00 -0.02 0.12 -0.01 0.04 0.13 -0.03 -0.04 0.04 -0.02 0.00 -0.04 0.02 -0.13 0.03 -0.04 -0.03 -0.14 0.03 0.07 -0.04 0.04 -0.17 -0.06 -0.03 -0.17 0.10 -0.06 -0.12 -0.15 0.01 0.01 -0.21 0.06 -0.24 -0.06 -0.04 -0.15 -0.22 0.02 0.24 -0.01 0.03 0.36 0.01 0.07 0.19 -0.03 0.02 0.03 0.01 0.00 -0.04 0.07 0.15 0.18 -0.09 0.08 -0.02 0.01 0.04 0.05 -0.06 -0.01 -0.06 0.03 0.01 0.04 -0.05 -0.11 0.07 -0.09 0.04 0.08 -0.09 -0.01 -0.07 0.01 -0.09 -0.03 0.02 0.05 -0.12 0.08 0.04 -0.01 -0.01 -0.12 0.09 -0.10 -0.14 0.03 -0.04 -0.16 -0.11 0.02 -0.11 -0.11 0.02 -0.10 -0.02 -0.02 -0.10 -0.00 0.01 -0.11 -0.02 0.04 -0.12 0.02 -0.03 0.01 -0.02 0.01 0.04 -0.04 0.07 -0.22 0.02 -0.06 0.18 0.03 -0.05 0.00 -0.01 -0.04 0.20 -0.04 0.03 0.05 0.03 -0.09 0.29 -0.01 -0.07 0.35 -0.08 0.14 -0.18 -0.04 0.14 -0.31 -0.22 0.24 -0.14 0.09 0.05 -0.01 -0.03 0.08 -0.06 0.30 0.03 0.14 -0.03 0.03 -0.06 -0.09 0.07 -0.02 0.04 -0.07 -0.06 -0.12 -0.03 0.07 -0.04 0.09 -0.08 -0.15 0.15 -0.01 0.01 -0.16 0.04 0.09 -0.06 -0.12 0.08 -0.10 -0.08 -0.06 -0.11 0.08 -0.16 -0.02 0.09 -0.16 -0.05 0.11 0.08 -0.24 0.03 -0.03 -0.18 0.10 -0.07 -0.09 0.03 -0.06 -0.10 0.12 -0.09 -0.05 0.11 -0.00 -0.06 0.05 -0.06 0.05 -0.01 -0.13 -0.08 0.18 0.03 0.04 -0.09 0.02 -0.10 0.07 0.00 0.10 -0.13 -0.08 0.09 -0.03 0.08 0.07 -0.16 0.03 0.18 -0.26 0.00 0.11 -0.14 0.09 0.13 -0.15 -0.14 0.12 -0.15 0.01 0.04 0.05 0.01 -0.10 -0.14 0.12 0.13 0.17 0.01 -0.06 -0.08 -0.03 -0.12 -0.08 0.00 0.07 0.00 -0.03 -0.12 -0.10 -0.02 -0.14 -0.02 -0.03 -0.15 -0.11 0.07 0.22 0.03 -0.12 0.06 0.08 0.06 0.08 -0.03 0.00 0.03 0.06 -0.07 -0.27 -0.09 -0.04 -0.06 -0.26 0.06 0.39 0.17 0.20 0.29 -0.14 -0.02 -0.02 0.21 -0.00 0.03 0.03 0.02 0.02 0.00 -0.03 0.03 0.04 0.01 -0.01 -0.01 0.05 0.02 -0.00 -0.05 -0.01 0.03 -0.05 0.04 0.05 -0.03 -0.03 0.00 0.03 -0.03 -0.03 -0.08 -0.02 0.04 -0.04 -0.05 -0.00 -0.11 -0.12 -0.01 -0.16 -0.13 0.08 -0.10 -0.19 -0.04 0.07 0.01 0.04 0.01 0.01 -0.05 -0.02 0.03 -0.02 -0.01 0.09 0.01 -0.00 0.03 0.01 -0.00 0.13 0.04 -0.08 -0.14 -0.09 0.16 0.02 0.02 -0.05 0.10 0.02 -0.04 0.03 -0.04 0.09 0.10 0.12 -0.03 0.23 0.06 -0.05 -0.12 -0.04 -0.04 -0.28 -0.11 -0.22 -0.10 -0.19 -0.01 0.06 0.02 -0.10 0.08 -0.13 -0.04 -0.15 0.04 -0.05 -0.10 -0.05 -0.10 -0.03 -0.04 0.03 -0.09 -0.04 -0.07 0.06 0.01 -0.18 -0.03 -0.06 0.07 -0.01 0.02 0.08 -0.14 -0.05 0.01 0.06 0.05 -0.12 0.11 0.03 0.15 -0.01 0.04 0.04 0.11 0.09 0.20 0.02 0.18 0.29 0.03 0.29 0.24 -0.06 0.15 -0.05 -0.09 0.06 -0.06 0.14 0.08 -0.06 -0.12 0.02 -0.05 -0.01 -0.05 0.01 0.04 -0.07 -0.03 -0.12 -0.13 -0.05 -0.07 -0.11 0.12 0.07 -0.13 -0.01 0.14 0.01 0.08 0.10 -0.01 -0.22 -0.06 -0.30 0.04 -0.32 -0.16 0.01 0.02 0.03 -0.07 -0.25 -0.10 -0.12 -0.02 -0.26 0.05 0.25 0.10 0.28 0.14 -0.12 -0.01 -0.02 0.12 0.03 0.02 0.06 0.05 -0.01 0.06 0.01 0.01 0.06 0.04 -0.02 -0.00 0.07 -0.01 0.08 -0.00 -0.00 0.00 -0.01 0.02 0.08 0.02 -0.01 -0.05 0.06 -0.03 -0.02 -0.03 -0.00 -0.01 0.02 -0.01 -0.11 0.06 0.11 0.08 0.22 0.13 0.07 -0.11 0.10 0.05 -0.07 -0.02 0.01 -0.14 -0.08 -0.05 -0.02 -0.08 0.04 -0.13 0.02 -0.04 -0.10 0.15 -0.04 -0.09 0.12 0.06 -0.07 0.15 0.03 -0.11 0.20 -0.14 -0.06 0.20 0.05 -0.05 0.13 0.04 -0.11 0.09 0.17 -0.02 0.22 0.02 0.04 0.00 -0.00 -0.12 0.22 0.06 -0.08 0.11 0.13 -0.09 0.18 0.05 -0.06 0.16 -0.04 0.18 -0.01 -0.00 0.06 -0.11 -0.02 0.07 -0.10 -0.01 0.16 -0.11 0.00 0.10 -0.03 0.00 0.05 -0.11 0.00 0.21 -0.05 0.00 0.20 -0.17 -0.01 0.18 -0.01 -0.01 0.06 0.03 0.01 0.24 -0.04 0.00 0.20 0.04 -0.02 -0.11 -0.01 -0.04 -0.07 -0.01 -0.05 -0.16 -0.00 -0.04 0.04 0.06 -0.01 0.08 -0.12 0.12 -0.01 -0.01 -0.06 0.10 0.01 0.06 0.12 0.17 0.05 -0.02 -0.03 -0.06 0.03 0.01 -0.01 0.27 0.23 -0.11 0.07 0.33 0.16 0.04 0.11 -0.04 -0.12 0.02 -0.20 -0.05 -0.20 -0.04 -0.00 -0.01 -0.03 0.10 -0.05 -0.05 -0.11 0.03 -0.04 0.03 0.25 0.07 0.16 0.16 -0.18 0.04 -0.03 0.02 -0.05 -0.07 0.01 -0.10 -0.04 0.05 -0.03 -0.08 0.05 -0.08 0.03 0.02 -0.15 -0.06 0.07 -0.01 -0.01 0.01 -0.02 -0.11 0.07 -0.04 0.06 -0.04 -0.10 0.06 0.02 0.05 -0.00 0.01 -0.01 0.12 -0.11 -0.09 -0.09 -0.08 -0.32 -0.13 -0.18 0.04 -0.02 -0.03 -0.01 -0.01 0.03 -0.00 -0.01 0.02 -0.02 -0.03 0.02 0.00 0.01 -0.02 0.03 -0.08 -0.05 -0.00 0.11 0.03 0.06 0.05 -0.11 -0.06 -0.13 0.05 0.09 -0.20 -0.11 -0.05 -0.04 -0.13 0.15 0.05 0.20 -0.06 0.32 0.06 0.01 0.05 -0.14 0.10 0.09 -0.13 0.13 0.04 -0.09 -0.07 -0.13 -0.23 -0.18 -0.06 -0.05 -0.01 0.08 -0.21 0.00 0.01 0.07 0.00 -0.04 0.18 -0.02 -0.04 0.19 0.01 -0.02 0.03 0.01 -0.07 0.25 -0.02 -0.01 0.05 -0.04 -0.05 0.26 0.00 0.05 -0.16 0.02 -0.02 0.01 -0.04 -0.01 0.04 0.02 0.11 -0.38 0.00 0.01 0.03 0.03 0.01 0.03 -0.04 0.00 0.02 0.03 0.07 -0.02 -0.04 -0.10 0.01 0.02 0.01 -0.04 -0.04 0.07 0.05 0.01 0.12 0.03 -0.05 0.01 0.02 -0.07 -0.11 -0.10 0.23 0.14 -0.05 -0.03 0.25 0.12 -0.08 -0.11 0.02 0.06 0.02 -0.04 -0.06 -0.00 0.03 -0.02 -0.02 0.01 -0.06 -0.40 -0.11 -0.27 -0.02 -0.33 -0.08 -0.25 -0.11 -0.20 -0.16 0.16 -0.12 -0.01 0.03 0.05 0.10 0.04 0.11 0.05 0.02 0.02 0.10 0.03 0.09 -0.04 -0.01 0.19 0.06 0.03 -0.02 0.02 0.00 -0.02 0.14 0.05 0.03 -0.05 -0.01 0.13 -0.09 -0.02 -0.10 0.01 -0.01 0.01 -0.11 -0.03 -0.02 -0.05 -0.03 -0.11 -0.06 -0.02 0.10 -0.04 -0.00 0.06 0.03 -0.09 -0.03 0.04 0.01 0.06 0.15 -0.05 -0.06 0.04 0.12 -0.06 -0.09 0.10 -0.14 -0.12 -0.02 -0.00 0.04 -0.01 -0.17 -0.17 0.29 -0.00 -0.27 -0.01 -0.07 0.06 -0.03 -0.29 -0.03 -0.30 -0.21 -0.43 0.02 -0.02 0.05 -0.04 0.04 0.03 -0.03 0.04 0.04 -0.02 -0.16 0.17 -0.01 0.05 0.07 -0.07 0.01 0.04 -0.04 -0.00 -0.01 -0.02 0.02 -0.04 0.03 0.04 -0.03 0.03 0.03 -0.03 0.01 0.03 -0.05 0.06 0.05 -0.02 0.02 0.05 -0.06 0.05 0.06 -0.00 -0.04 0.02 -0.01 0.02 0.04 -0.02 0.04 0.07 0.02 -0.09 0.08 -0.05 -0.00 0.04 -0.06 0.08 0.29 -0.08 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.07 -0.20 -0.02 -0.07 0.20 -0.02 -0.07 0.19 0.04 0.16 -0.43 0.02 0.07 -0.20 -0.03 -0.15 0.42 0.00 -0.00 0.00 -0.04 -0.15 0.42 0.04 0.15 -0.42 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.05 -0.08 -0.04 -0.01 0.05 -0.12 0.01 0.04 0.03 -0.04 -0.15 0.10 -0.02 0.09 0.15 0.07 -0.15 0.19 -0.03 0.05 -0.08 0.05 0.17 -0.05 0.07 0.18 0.34 0.09 -0.01 -0.07 0.13 -0.22 0.45 -0.00 0.13 0.23 0.03 0.01 -0.09 0.08 -0.12 -0.14 -0.16 0.09 -0.18 -0.04 0.18 -0.02 0.21 0.04 -0.20 0.02 0.02 -0.12 0.01 0.01 -0.01 -0.01 0.02 0.00 -0.02 0.00 0.00 -0.01 0.01 0.01 -0.02 0.02 -0.01 -0.02 0.00 -0.00 -0.03 0.01 0.01 -0.03 0.01 -0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.01 -0.03 0.01 -0.02 0.00 0.03 -0.04 0.12 0.04 -0.06 -0.05 0.06 -0.03 -0.00 -0.13 -0.04 -0.02 0.03 -0.05 -0.02 0.13 0.02 -0.04 -0.09 -0.05 0.16 0.02 -0.07 -0.12 0.01 0.02 0.14 -0.09 0.06 0.36 0.15 -0.36 0.14 0.30 0.17 -0.13 0.02 0.10 -0.23 -0.00 0.08 -0.06 0.00 -0.01 0.02 -0.03 0.04 0.09 0.04 0.09 0.19 -0.12 0.16 -0.13 -0.04 0.06 -0.18 0.00 0.14 0.01 -0.05 0.10 0.02 0.02 -0.07 -0.00 0.01 0.01 -0.01 -0.01 0.03 -0.01 -0.01 0.04 -0.02 -0.02 0.08 -0.02 -0.01 0.03 -0.03 -0.03 0.10 -0.02 0.03 -0.06 -0.01 -0.04 0.11 -0.01 -0.04 0.10 -0.01 0.04 -0.10 0.06 0.02 -0.06 0.24 0.05 -0.12 -0.12 0.06 -0.07 -0.02 0.03 -0.02 -0.05 0.00 -0.02 0.02 -0.03 -0.01 -0.04 0.03 0.01 0.04 0.00 -0.03 0.02 -0.03 0.03 0.07 0.07 -0.13 -0.01 -0.04 0.06 0.14 -0.11 -0.03 0.02 -0.03 0.16 -0.02 0.01 -0.09 0.12 -0.14 -0.01 0.12 0.15 0.07 0.00 -0.26 -0.11 0.04 0.17 -0.45 -0.02 -0.27 -0.09 -0.06 -0.16 0.46 0.24 0.14 0.07 -0.00 -0.06 -0.03 -0.06 -0.04 -0.02 -0.03 -0.08 -0.03 -0.05 0.03 0.01 -0.13 -0.05 -0.02 0.00 -0.01 -0.00 -0.01 -0.11 -0.03 -0.04 0.04 0.01 -0.07 0.06 0.02 0.07 -0.01 0.01 -0.03 0.07 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.11 0.04 -0.08 -0.01 -0.06 0.07 -0.13 -0.06 0.16 0.10 0.11 -0.04 -0.05 -0.03 -0.03 -0.03 0.02 0.02 -0.06 0.01 0.01 0.04 0.01 -0.01 0.02 0.08 0.08 -0.19 0.01 0.13 0.03 0.01 0.00 -0.01 0.04 -0.05 0.22 0.03 0.19 0.02 0.01 -0.04 -0.01 -0.01 0.09 0.03 0.04 -0.05 0.12 -0.00 0.06 0.04 0.02 0.03 -0.08 -0.01 -0.04 -0.00 0.01 0.00 0.00 0.01 0.02 0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.02 0.02 0.01 -0.02 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.04 -0.18 0.05 -0.06 -0.18 0.56 0.14 -0.53 -0.12 0.09 -0.16 -0.02 -0.05 -0.06 0.27 -0.05 0.23 -0.01 -0.04 -0.07 -0.06 -0.04 -0.00 -0.13 0.02 0.01 0.02 -0.07 0.08 -0.09 -0.14 0.03 -0.19 -0.02 0.01 -0.11 0.04 -0.02 -0.02 0.09 -0.07 0.28 0.06 0.28 -0.01 0.02 0.04 0.01 -0.13 0.01 -0.06 -0.04 0.09 -0.15 0.02 -0.05 -0.06 0.02 -0.04 0.03 0.05 0.06 -0.04 -0.02 -0.07 0.17 -0.01 -0.02 0.01 -0.00 -0.01 -0.00 0.00 0.03 -0.08 -0.00 0.04 -0.15 0.01 0.03 -0.08 0.02 0.04 -0.17 -0.01 -0.04 0.12 0.01 0.11 -0.27 0.04 0.09 -0.26 -0.01 -0.05 0.17 0.12 -0.06 -0.09 0.24 -0.05 -0.24 -0.11 0.03 -0.08 -0.04 0.03 -0.01 -0.00 0.02 -0.13 0.02 -0.05 0.01 -0.01 0.02 0.04 0.11 -0.01 0.03 -0.09 0.02 -0.00 0.11 -0.01 -0.01 0.20 -0.01 0.01 0.15 0.02 0.10 -0.07 0.02 -0.05 -0.14 0.05 -0.11 -0.14 -0.11 0.03 0.01 -0.02 -0.03 0.15 0.08 -0.03 0.16 -0.03 0.05 -0.10 0.03 -0.06 -0.11 0.03 -0.07 0.00 -0.01 -0.06 -0.01 -0.09 0.24 -0.00 -0.01 0.06 -0.01 -0.02 0.05 0.01 0.05 -0.12 0.01 0.08 -0.19 0.00 0.04 -0.12 0.01 0.09 -0.21 -0.03 -0.06 0.17 0.05 0.15 -0.43 0.03 0.15 -0.43 -0.03 -0.07 0.19 -0.03 0.03 0.02 -0.03 0.03 0.07 0.05 0.01 0.02 -0.02 -0.02 -0.00 0.20 0.11 -0.01 0.01 -0.03 0.00 0.17 -0.18 -0.04 -0.01 0.01 0.04 -0.03 0.02 -0.01 -0.08 0.03 -0.01 -0.05 0.09 -0.13 -0.07 0.10 0.07 -0.13 0.03 0.01 -0.16 -0.01 0.13 -0.12 0.05 0.04 -0.14 0.16 0.04 -0.01 -0.25 -0.05 -0.13 0.12 -0.29 -0.06 -0.21 -0.14 -0.24 -0.08 0.27 -0.12 0.16 0.05 -0.15 0.03 0.02 -0.04 -0.11 -0.04 0.03 0.04 0.03 -0.01 -0.08 -0.04 0.06 -0.09 -0.05 0.07 0.06 0.02 0.13 -0.07 -0.03 0.16 -0.05 0.01 -0.10 0.05 -0.04 -0.02 0.06 -0.03 0.16 -0.05 0.01 -0.01 -0.02 0.00 -0.01 -0.03 0.10 -0.22 -0.16 -0.11 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.02 -0.02 0.02 -0.00 0.00 -0.00 -0.03 0.01 0.00 -0.01 -0.00 -0.03 -0.01 -0.00 0.00 -0.03 0.01 0.00 0.01 -0.03 -0.01 -0.01 -0.01 0.02 -0.04 -0.03 0.05 -0.01 0.01 -0.02 -0.03 0.01 -0.06 0.05 -0.03 -0.01 -0.03 -0.13 -0.05 0.16 -0.25 -0.08 -0.30 -0.10 -0.06 0.33 0.13 0.07 -0.01 -0.27 -0.10 -0.16 0.29 0.09 -0.21 -0.20 -0.09 0.03 0.13 0.05 0.25 0.23 0.10 0.02 0.31 0.11 -0.13 -0.24 -0.10 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.00 -0.12 -0.04 -0.01 0.01 0.00 -0.00 -0.10 0.08 0.02 0.08 -0.03 -0.04 0.07 -0.05 0.01 0.09 -0.03 -0.01 0.28 -0.02 -0.06 0.09 0.08 0.07 0.09 -0.04 -0.00 0.28 -0.08 0.09 0.11 0.15 -0.01 -0.08 0.06 0.02 0.08 0.17 -0.00 0.26 -0.08 0.10 0.08 0.12 0.13 0.28 -0.01 -0.08 -0.16 0.07 0.01 -0.16 0.05 0.00 -0.08 -0.13 -0.06 -0.01 0.10 0.03 -0.06 -0.10 -0.04 0.04 -0.12 -0.04 0.03 0.13 0.05 0.11 -0.04 -0.00 0.17 -0.05 -0.01 -0.19 0.06 0.01 -0.13 0.11 0.04 0.16 -0.07 -0.01 -0.02 0.01 0.01 -0.04 0.01 -0.06 0.33 0.16 0.14 0.25 0.11 0.19 0.04 0.08 -0.03 -0.03 -0.04 -0.08 -0.00 -0.04 -0.02 -0.03 -0.03 -0.16 -0.06 -0.13 0.11 -0.03 0.02 -0.05 0.00 0.03 -0.28 -0.02 0.08 -0.05 -0.07 -0.01 0.05 -0.09 -0.18 0.28 -0.06 0.04 0.11 0.01 -0.00 -0.00 -0.16 0.17 0.01 0.07 -0.02 0.06 -0.20 0.14 0.06 0.05 0.02 -0.03 0.02 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 0.00 0.01 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.02 0.00 0.01 0.02 -0.00 -0.01 0.02 -0.01 -0.01 -0.02 0.00 0.00 -0.05 -0.01 0.02 -0.40 -0.06 -0.22 0.32 0.26 0.23 -0.16 -0.01 -0.12 0.06 -0.04 0.03 0.05 0.00 0.06 0.03 -0.03 0.00 -0.01 -0.00 -0.07 -0.02 -0.01 0.01 -0.03 0.01 -0.02 -0.01 0.03 -0.14 -0.05 0.05 -0.06 -0.02 0.00 0.01 -0.04 -0.02 0.05 -0.03 0.02 0.02 0.00 0.00 0.01 -0.09 0.05 0.01 -0.02 0.00 0.02 -0.03 -0.02 -0.02 -0.01 -0.01 0.03 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.03 -0.00 -0.01 -0.01 -0.01 -0.01 0.03 -0.01 0.00 0.00 0.02 -0.01 0.02 0.01 -0.02 0.02 -0.01 -0.01 0.03 0.01 0.04 0.06 -0.13 0.02 -0.23 0.76 0.35 0.34 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.02 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.03 -0.00 0.00 0.00 0.00 0.01 0.02 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.04 -0.11 -0.01 -0.03 0.07 -0.01 -0.03 0.07 0.01 0.05 -0.14 -0.04 -0.18 0.49 0.01 0.05 -0.13 -0.04 -0.17 0.47 -0.00 -0.02 0.07 -0.02 -0.07 0.19 -0.02 -0.07 0.18 -0.04 -0.19 0.53 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.03 -0.02 -0.01 0.01 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.00 0.01 -0.04 0.01 -0.02 0.02 0.03 -0.01 0.01 -0.01 0.03 0.07 -0.04 0.00 -0.01 -0.01 -0.05 -0.00 -0.02 0.05 -0.09 0.08 0.00 -0.00 -0.00 0.03 0.02 -0.04 -0.01 0.01 0.04 -0.06 -0.00 0.01 -0.02 0.01 -0.00 -0.06 0.00 0.01 -0.01 -0.02 -0.07 0.20 0.01 0.03 -0.08 0.01 0.03 -0.09 0.00 0.00 0.00 -0.01 -0.03 0.08 0.00 -0.01 0.01 -0.01 -0.03 0.06 0.01 0.04 -0.12 -0.04 -0.19 0.51 -0.03 -0.19 0.50 -0.04 -0.18 0.50 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.03 0.01 0.01 -0.05 -0.01 -0.03 0.06 -0.03 0.00 0.01 -0.00 0.01 0.03 0.05 0.07 -0.02 -0.01 -0.10 0.04 -0.00 0.14 -0.05 0.03 -0.11 0.08 0.01 -0.15 0.01 0.05 -0.02 0.01 0.01 0.07 -0.15 0.12 -0.27 0.07 -0.46 0.14 0.01 -0.08 -0.07 -0.11 0.39 -0.08 0.07 -0.08 0.21 -0.04 0.00 0.02 -0.13 0.03 0.04 -0.01 -0.09 -0.03 -0.02 -0.01 0.03 -0.01 -0.01 -0.02 -0.00 0.05 0.01 -0.02 -0.02 -0.01 0.01 -0.01 0.01 -0.01 0.05 0.01 0.00 0.04 0.02 0.03 -0.01 -0.02 -0.05 -0.03 0.09 -0.08 0.01 0.09 0.01 -0.06 0.08 0.05 0.03 0.01 -0.08 -0.00 0.04 -0.41 -0.18 -0.17 0.05 0.00 0.03 -0.04 0.02 0.00 -0.01 0.00 -0.01 -0.02 -0.06 0.04 -0.07 -0.08 0.05 0.06 0.07 -0.00 -0.04 -0.05 -0.00 0.23 0.07 -0.28 -0.12 0.26 0.32 0.07 0.06 -0.05 -0.14 0.14 -0.21 0.04 -0.18 0.01 0.00 0.07 -0.03 -0.01 0.18 -0.01 0.15 -0.11 0.15 0.13 -0.27 -0.30 -0.17 -0.06 0.25 0.00 0.03 0.05 0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.02 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.04 0.03 -0.03 0.03 -0.01 -0.00 0.05 -0.05 -0.02 -0.03 0.19 0.03 0.07 0.26 0.09 0.08 0.03 -0.01 0.03 0.03 -0.00 0.00 -0.03 -0.00 0.01 0.03 -0.01 -0.00 0.02 0.04 -0.02 -0.00 0.01 0.02 0.00 0.04 -0.03 -0.14 -0.01 0.10 0.08 -0.13 -0.11 -0.02 -0.01 0.05 -0.07 0.03 -0.06 0.04 -0.09 -0.00 0.01 -0.08 -0.02 0.01 -0.02 -0.03 -0.10 0.04 -0.02 -0.01 0.03 0.10 -0.03 0.03 -0.06 0.02 -0.07 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.03 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 0.03 0.01 0.00 0.03 0.01 0.01 -0.01 -0.00 -0.02 0.00 -0.01 -0.05 0.03 -0.00 0.01 -0.02 -0.02 -0.12 -0.01 -0.09 0.71 0.14 0.39 0.39 0.06 0.04 -0.03 -0.00 -0.02 0.06 -0.05 -0.00 -0.01 -0.01 0.01 0.03 0.12 0.05 0.00 -0.04 -0.07 -0.01 -0.07 0.02 -0.03 -0.03 0.00 0.28 -0.03 -0.10 -0.14 0.16 -0.02 -0.03 -0.03 -0.03 0.31 -0.09 0.05 -0.17 0.09 0.11 -0.08 0.14 0.05 -0.14 0.11 0.05 0.21 -0.05 0.02 -0.13 0.18 0.06 0.26 -0.02 -0.08 -0.15 0.16 0.03 -0.01 0.01 -0.00 0.03 0.02 0.01 -0.00 -0.08 -0.03 0.06 0.04 0.02 0.01 0.01 0.02 0.03 -0.09 -0.03 -0.00 -0.09 -0.03 -0.04 0.02 0.01 0.10 -0.01 0.00 0.14 -0.08 -0.02 -0.03 0.05 0.00 -0.03 0.03 -0.04 0.37 0.11 0.32 -0.12 -0.13 -0.14 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.02 0.00 -0.00 -0.00 0.01 0.03 -0.07 -0.01 -0.02 0.07 0.01 0.02 -0.06 -0.04 -0.18 0.49 -0.01 -0.02 0.07 0.04 0.17 -0.47 -0.00 -0.00 0.00 -0.04 -0.16 0.44 0.04 0.17 -0.46 0.00 0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.04 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.07 0.03 -0.07 -0.01 -0.08 -0.09 -0.03 0.04 0.00 -0.07 0.13 -0.03 0.02 -0.12 -0.25 0.13 -0.12 0.03 0.01 -0.15 -0.02 -0.04 0.06 -0.32 0.01 0.16 0.24 0.03 0.04 -0.22 -0.28 0.23 -0.02 -0.01 -0.07 -0.15 -0.02 -0.34 0.01 -0.05 -0.02 0.38 0.02 0.02 0.05 -0.02 -0.00 -0.04 -0.04 -0.02 0.00 0.06 0.02 -0.11 -0.06 -0.03 -0.03 -0.05 -0.00 -0.02 0.10 0.03 0.00 0.06 0.04 0.03 -0.01 0.00 -0.18 0.03 -0.01 -0.13 0.09 0.02 0.04 0.02 -0.01 -0.01 0.03 -0.01 0.10 0.05 0.13 -0.08 -0.06 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.03 0.01 0.00 0.03 -0.01 0.01 0.02 -0.03 0.03 -0.03 0.01 -0.02 -0.11 0.05 -0.03 -0.03 0.00 0.03 0.03 -0.01 -0.02 0.11 -0.03 -0.03 0.01 0.02 -0.04 0.05 -0.08 0.01 0.02 -0.00 -0.04 -0.07 0.06 0.04 -0.01 0.03 -0.03 0.01 0.03 -0.07 0.01 0.02 -0.05 -0.01 -0.03 0.09 -0.01 -0.03 0.08 -0.00 0.00 -0.02 0.04 0.18 -0.51 -0.00 0.00 0.00 0.04 0.17 -0.47 0.01 0.03 -0.09 -0.01 -0.03 0.08 -0.00 0.00 -0.01 -0.05 -0.20 0.55 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 0.03 0.08 0.02 -0.04 -0.08 -0.03 -0.04 -0.06 -0.06 0.02 -0.08 0.35 0.04 -0.14 -0.18 0.04 0.08 -0.01 -0.06 -0.16 0.30 -0.05 0.21 -0.03 0.01 -0.00 0.01 -0.00 0.34 -0.07 0.00 -0.18 0.32 -0.00 -0.19 -0.28 -0.06 -0.07 0.35 -0.02 -0.11 0.31 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 0.03 -0.07 -0.00 -0.00 0.01 0.00 0.02 -0.05 0.00 0.00 -0.01 -0.01 -0.01 0.03 0.00 0.02 -0.05 -0.00 -0.02 0.06 -0.00 0.00 -0.00 0.04 0.01 0.02 -0.02 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.02 -0.00 0.00 0.00 -0.03 0.05 -0.01 0.03 0.01 -0.01 -0.01 0.00 0.02 -0.02 -0.05 -0.01 0.02 -0.00 -0.01 0.01 -0.03 -0.01 0.01 -0.03 0.02 -0.01 0.03 -0.00 0.02 0.03 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.03 0.08 0.01 0.03 -0.08 0.01 0.03 -0.09 0.04 0.16 -0.43 -0.01 -0.03 0.08 -0.04 -0.16 0.45 -0.00 -0.00 0.01 -0.04 -0.18 0.48 0.04 0.17 -0.46 0.00 0.01 -0.04 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 0.01 0.04 -0.08 -0.10 0.05 0.03 0.11 -0.08 0.02 0.09 -0.09 0.04 -0.05 0.01 0.09 -0.37 0.13 -0.16 -0.11 0.06 0.05 0.04 -0.08 0.05 0.42 -0.05 -0.14 0.02 0.05 -0.12 0.30 -0.07 -0.06 0.10 -0.09 0.01 -0.34 0.12 -0.11 -0.13 0.07 0.04 0.01 0.04 -0.09 -0.01 -0.03 0.08 0.00 0.01 -0.02 0.00 0.02 -0.05 0.00 0.01 -0.03 -0.00 -0.02 0.06 0.00 0.00 -0.00 -0.02 -0.08 0.21 -0.00 -0.02 0.04 -0.02 -0.08 0.21 -0.00 -0.02 0.07 0.02 0.10 -0.27 -0.00 -0.00 0.00 0.04 0.00 -0.02 0.02 0.02 0.02 -0.00 0.01 0.01 -0.07 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 0.07 -0.12 0.09 -0.03 0.15 0.00 -0.03 0.12 -0.22 -0.03 0.12 0.17 -0.20 -0.33 0.03 0.05 -0.12 -0.22 0.07 -0.12 0.08 -0.36 0.16 -0.07 0.04 0.02 -0.07 -0.27 0.15 -0.24 0.03 -0.04 0.00 -0.11 -0.29 -0.24 0.01 0.00 -0.21 0.05 0.00 -0.06 0.03 0.00 0.00 0.01 0.00 -0.02 -0.03 -0.02 0.04 0.03 0.02 0.00 0.01 0.03 0.02 -0.07 -0.01 -0.03 -0.04 0.01 0.02 0.01 -0.01 0.05 0.05 -0.04 0.07 -0.04 -0.08 0.02 -0.00 0.08 0.01 -0.03 -0.00 0.03 -0.03 -0.11 0.02 0.05 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.06 0.03 0.01 -0.02 0.01 0.01 0.02 -0.01 0.01 0.05 0.01 -0.03 0.01 0.00 -0.01 0.05 0.01 -0.02 0.02 -0.01 0.01 -0.05 0.03 -0.00 0.00 0.01 0.01 0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.03 0.00 0.02 -0.04 -0.01 -0.03 0.07 -0.02 -0.09 0.26 -0.01 -0.02 0.08 -0.03 -0.11 0.32 0.01 0.03 -0.08 0.03 0.16 -0.45 0.04 0.18 -0.49 -0.04 -0.18 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.02 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.02 -0.04 0.03 0.01 0.01 -0.01 0.01 -0.02 -0.01 0.02 -0.03 0.03 -0.00 0.02 -0.00 -0.00 0.04 0.01 -0.02 0.01 -0.01 0.01 0.02 -0.01 0.02 0.01 0.00 -0.01 -0.05 0.00 -0.00 0.04 -0.01 0.00 -0.05 0.37 0.13 -0.30 -0.25 -0.11 -0.05 -0.06 -0.03 0.02 0.39 0.14 -0.00 0.08 0.03 -0.25 -0.32 -0.15 0.34 -0.13 -0.02 -0.01 -0.09 -0.03 0.05 0.07 0.04 0.35 -0.13 -0.03 -0.00 0.01 -0.00 -0.01 0.01 0.02 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.12 0.06 -0.03 -0.11 0.03 0.05 0.15 -0.04 -0.02 -0.29 0.10 -0.09 -0.30 0.11 -0.18 0.14 -0.04 0.02 -0.31 0.02 0.11 -0.30 -0.02 0.14 -0.06 -0.01 -0.02 0.42 -0.06 -0.14 0.12 -0.02 -0.07 0.35 -0.15 0.12 0.09 -0.07 0.08 -0.18 -0.00 -0.02 -0.03 0.02 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.04 0.03 0.01 -0.04 -0.02 -0.00 0.00 -0.04 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.02 0.04 0.02 -0.01 -0.04 -0.02 0.00 -0.01 -0.00 -0.01 0.03 0.00 -0.07 0.02 0.09 0.02 -0.04 -0.03 0.04 -0.08 0.01 0.02 -0.04 0.01 -0.01 0.02 -0.00 -0.04 0.01 -0.00 0.02 -0.03 -0.00 0.03 -0.03 -0.02 -0.01 0.02 0.03 -0.03 0.01 -0.09 0.09 -0.01 0.08 -0.01 0.04 -0.00 -0.02 -0.05 0.07 0.11 0.05 -0.06 -0.00 -0.03 -0.01 -0.00 -0.08 0.02 -0.10 0.05 -0.03 -0.01 -0.05 -0.08 -0.08 0.01 0.06 0.06 -0.03 -0.00 -0.01 -0.00 -0.00 -0.03 0.00 -0.00 -0.00 0.03 0.01 0.04 0.05 0.02 -0.14 -0.01 -0.01 -0.02 -0.05 -0.02 -0.07 0.10 0.03 0.05 -0.02 -0.00 -0.03 0.14 0.05 -0.16 -0.07 -0.04 0.04 -0.05 -0.01 -0.01 0.15 -0.03 -0.51 0.06 0.49 0.32 -0.32 -0.23 0.02 -0.04 0.01 0.00 -0.02 0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.02 0.01 -0.00 0.02 -0.07 0.01 -0.02 0.03 -0.02 -0.03 0.01 0.01 -0.01 -0.07 -0.00 0.02 0.03 -0.03 0.01 -0.05 0.01 -0.01 0.05 -0.04 -0.00 -0.03 0.01 -0.02 0.04 -0.03 -0.01 -0.02 -0.00 0.03 -0.09 0.01 -0.01 0.01 -0.00 0.00 0.07 0.02 0.01 0.03 -0.06 -0.02 -0.07 -0.13 -0.05 0.35 0.05 0.05 0.04 0.14 0.05 0.21 -0.28 -0.08 -0.13 0.05 0.01 0.14 -0.40 -0.13 0.40 0.19 0.10 -0.14 0.06 0.01 -0.00 0.07 -0.02 -0.26 0.02 0.23 0.18 -0.17 -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.04 -0.06 0.02 -0.01 0.07 -0.01 -0.01 0.10 0.02 -0.06 -0.38 0.14 -0.25 0.09 -0.03 0.10 -0.09 0.03 -0.08 0.43 0.03 -0.23 -0.12 -0.04 0.09 -0.01 -0.05 0.13 0.22 0.05 -0.11 -0.03 -0.00 0.03 -0.18 0.04 -0.15 0.03 -0.02 0.04 -0.05 -0.19 0.51 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 0.00 0.00 0.00 0.01 0.01 -0.05 -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 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.03 -0.05 -0.06 0.02 -0.04 0.01 0.08 0.03 -0.10 -0.03 0.06 0.03 0.02 -0.07 -0.02 0.02 -0.07 -0.03 0.01 0.07 0.05 0.01 0.02 -0.20 0.01 0.06 0.09 0.01 0.08 0.00 -0.06 -0.11 0.17 0.05 0.11 -0.05 -0.05 -0.06 -0.02 0.07 -0.17 0.01 -0.08 0.13 -0.15 0.12 -0.13 -0.09 -0.15 0.02 0.16 0.11 -0.07 -0.02 -0.03 -0.03 -0.01 -0.02 0.05 0.02 0.05 0.01 0.01 0.04 0.01 0.01 -0.10 0.04 0.00 -0.00 0.04 0.01 0.13 -0.10 -0.02 -0.02 -0.03 -0.01 0.14 -0.11 -0.03 -0.06 0.03 0.01 -0.09 -0.19 -0.08 -0.13 0.02 0.15 0.22 0.10 0.06 -0.47 0.32 0.28 0.04 -0.08 -0.04 0.02 -0.02 0.01 0.07 0.04 -0.08 -0.03 -0.05 -0.01 0.00 0.04 0.02 0.00 0.04 0.01 -0.01 -0.04 -0.03 -0.10 0.02 0.07 0.08 -0.07 -0.01 -0.01 -0.05 -0.01 -0.07 0.06 -0.06 0.10 -0.05 -0.04 0.04 0.04 0.02 -0.05 0.09 -0.01 -0.01 -0.09 0.13 -0.06 0.07 0.05 0.01 0.02 -0.17 -0.17 0.05 0.01 0.04 0.05 0.02 0.06 -0.08 -0.02 -0.10 -0.01 -0.01 -0.07 -0.03 -0.02 0.32 -0.06 0.01 0.02 -0.06 -0.02 -0.29 0.21 0.05 0.03 0.07 0.03 -0.23 0.15 0.04 0.20 -0.05 -0.00 0.18 0.43 0.17 -0.11 0.06 0.11 -0.06 0.08 0.18 -0.19 0.16 0.17 -0.03 0.06 0.01 -0.00 0.00 -0.01 -0.03 -0.02 0.04 0.01 0.08 0.03 0.00 -0.09 -0.02 0.00 -0.08 -0.04 0.02 0.08 0.03 0.04 0.02 -0.23 -0.04 0.09 0.11 0.01 0.08 0.02 -0.02 -0.14 0.19 -0.03 0.14 -0.02 -0.05 -0.08 -0.03 0.15 -0.14 -0.03 -0.16 0.14 -0.13 0.16 -0.14 -0.04 -0.19 0.03 0.15 0.03 -0.09 -0.03 0.02 0.02 0.01 0.07 -0.04 -0.01 -0.08 0.01 -0.00 -0.05 -0.02 -0.01 0.36 -0.01 0.02 0.02 -0.04 -0.01 -0.27 0.24 0.06 0.02 0.05 0.02 -0.15 0.08 0.02 0.18 -0.03 0.01 0.15 0.36 0.14 0.06 -0.04 -0.05 0.14 -0.03 -0.12 0.02 -0.05 -0.07 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.06 0.03 0.01 0.06 -0.03 0.00 0.05 0.04 -0.06 0.31 -0.09 0.24 -0.14 0.07 -0.03 -0.04 0.00 -0.08 -0.37 -0.05 0.18 0.12 -0.04 -0.03 -0.01 -0.05 0.15 -0.18 0.04 0.05 0.46 0.06 -0.19 0.16 -0.07 0.05 -0.39 0.10 -0.28 0.00 0.03 -0.06 0.00 0.01 -0.03 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.04 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.02 0.03 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.04 -0.04 -0.01 -0.17 -0.02 -0.02 -0.04 -0.01 -0.01 0.10 -0.12 -0.04 0.02 0.06 0.02 0.34 -0.39 -0.11 -0.46 -0.05 -0.06 0.24 0.57 0.23 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.01 -0.07 0.17 -0.03 0.08 -0.06 0.05 -0.02 -0.09 0.06 -0.08 -0.01 -0.21 0.04 0.03 0.09 -0.08 -0.09 -0.07 0.07 0.04 0.29 -0.05 -0.02 -0.17 0.10 0.03 0.00 0.02 -0.07 -0.46 -0.04 0.23 0.15 -0.08 -0.00 0.45 -0.17 0.30 -0.13 0.07 0.06 0.05 0.09 -0.25 0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.01 0.04 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.02 -0.02 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.02 0.00 0.01 -0.00 0.00 0.01 0.01 -0.01 0.01 0.01 0.12 -0.04 0.10 -0.08 0.02 -0.08 -0.00 0.01 -0.00 0.12 0.02 -0.08 -0.10 -0.05 0.07 -0.01 -0.03 -0.01 0.03 -0.01 -0.01 0.10 0.03 -0.07 -0.01 0.00 -0.02 0.09 -0.03 0.08 0.23 -0.06 0.00 -0.05 -0.00 -0.01 0.06 0.02 0.01 0.02 -0.02 -0.01 -0.02 0.04 0.01 0.56 0.08 0.08 -0.03 -0.01 -0.01 0.26 -0.31 -0.09 -0.01 0.00 0.00 -0.22 0.28 0.08 -0.41 -0.06 -0.06 0.01 0.05 0.02 -0.01 0.01 0.01 -0.04 0.00 0.01 0.01 0.01 0.01 -0.01 0.02 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.04 0.02 0.01 -0.02 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.20 0.07 -0.16 0.11 -0.02 0.09 -0.00 -0.01 -0.01 -0.21 -0.04 0.12 0.13 0.05 -0.08 -0.04 0.06 0.02 0.03 0.02 -0.01 -0.15 -0.02 0.07 0.05 -0.01 0.04 -0.12 0.03 -0.08 -0.51 0.10 -0.00 0.17 -0.02 0.01 0.03 -0.02 -0.01 0.06 -0.06 -0.02 -0.06 -0.01 -0.01 -0.10 -0.05 -0.03 -0.07 0.05 0.01 0.17 -0.17 -0.05 0.01 0.00 0.00 -0.29 0.27 0.07 -0.45 0.01 -0.04 -0.02 -0.04 -0.02 0.01 -0.01 -0.01 0.05 -0.00 -0.02 -0.02 -0.01 -0.02 0.02 -0.04 -0.00 -0.06 0.00 -0.00 0.01 0.01 -0.01 0.04 -0.04 -0.04 0.03 0.01 -0.01 0.03 -0.00 0.03 -0.03 0.04 0.02 0.31 -0.11 0.21 -0.26 0.08 -0.24 -0.02 0.04 0.01 0.29 0.03 -0.17 -0.37 -0.12 0.24 -0.10 0.00 -0.01 0.19 -0.01 -0.08 0.09 0.07 -0.10 0.11 -0.05 0.05 0.07 -0.02 0.14 -0.00 -0.00 0.00 0.15 -0.08 -0.02 0.02 -0.01 -0.00 0.01 0.01 0.01 -0.04 -0.02 -0.01 -0.26 -0.04 -0.04 -0.01 0.04 0.02 -0.20 0.27 0.08 0.01 -0.01 -0.00 -0.04 -0.02 -0.01 -0.07 0.04 0.01 0.03 0.04 0.02 -0.02 0.02 0.02 -0.10 0.00 0.04 0.03 0.02 0.03 0.00 0.01 0.01 0.04 0.01 -0.01 -0.00 -0.00 0.00 -0.04 -0.07 0.10 -0.02 0.02 -0.04 -0.10 0.04 0.01 0.04 0.04 0.02 0.15 -0.06 0.14 -0.13 0.04 -0.14 0.05 0.01 -0.02 0.19 0.05 -0.10 0.55 0.06 -0.33 -0.06 -0.06 -0.01 -0.18 -0.10 0.12 0.19 0.10 -0.18 -0.24 0.03 -0.27 0.23 -0.08 0.16 -0.18 -0.07 0.05 0.03 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.06 -0.01 -0.01 -0.01 0.01 0.00 -0.02 0.03 0.00 0.00 -0.00 -0.00 -0.04 0.03 0.01 0.01 0.01 0.00 0.01 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.03 0.00 -0.01 0.01 -0.00 0.00 -0.03 0.01 -0.03 -0.00 0.00 0.00 0.01 -0.04 0.14 0.08 -0.03 -0.03 0.02 0.03 -0.03 -0.03 0.01 -0.01 -0.05 -0.02 -0.05 -0.47 0.18 -0.38 -0.04 -0.05 -0.03 -0.20 0.00 0.10 0.25 0.04 -0.16 0.03 0.05 0.03 0.30 0.11 -0.17 -0.29 -0.01 0.11 0.14 -0.01 0.16 0.02 0.00 -0.16 0.23 -0.03 0.21 -0.02 -0.03 -0.02 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 0.01 0.00 0.08 0.02 0.01 0.01 0.00 0.00 -0.02 0.05 0.00 -0.00 -0.01 -0.00 0.04 -0.04 -0.01 -0.06 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.03 -0.00 0.03 -0.03 0.01 -0.00 0.01 -0.02 -0.00 -0.04 0.01 -0.01 0.00 0.00 -0.00 0.04 -0.03 0.02 0.00 -0.03 -0.00 -0.00 -0.01 -0.03 0.00 0.07 -0.00 0.27 -0.10 0.11 -0.30 0.12 -0.16 -0.00 0.03 0.04 0.23 -0.01 -0.06 -0.18 0.02 0.06 0.12 -0.06 -0.01 0.04 -0.02 -0.02 -0.26 0.07 0.03 -0.00 -0.02 -0.01 -0.18 0.07 -0.03 -0.46 -0.01 0.00 -0.01 0.17 0.06 -0.07 -0.03 -0.02 0.02 -0.06 -0.02 0.06 -0.06 -0.02 -0.16 -0.04 -0.03 -0.06 -0.04 -0.02 0.22 -0.30 -0.09 0.01 0.05 0.02 -0.10 0.13 0.04 0.24 -0.00 0.02 -0.03 -0.05 -0.02 -0.01 0.01 0.00 -0.05 0.00 0.03 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.07 -0.01 -0.03 0.07 0.03 -0.01 0.08 0.04 0.01 0.31 -0.10 0.15 0.08 -0.02 0.12 -0.07 -0.03 -0.02 -0.38 0.01 0.15 -0.09 -0.04 0.07 -0.00 0.02 -0.08 -0.24 -0.10 0.16 -0.29 0.05 0.04 0.06 0.00 0.13 0.41 -0.13 0.14 -0.07 -0.18 0.44 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.02 -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 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.01 0.05 0.00 0.01 0.00 -0.00 -0.00 -0.05 -0.02 -0.04 -0.07 0.01 -0.04 -0.07 -0.03 0.05 0.02 -0.01 0.02 0.32 -0.10 0.15 0.21 -0.10 0.13 -0.00 0.01 -0.03 0.31 -0.01 -0.12 0.24 -0.04 -0.11 0.01 0.05 0.00 0.22 -0.01 -0.07 -0.30 -0.02 0.11 0.36 -0.11 0.19 -0.23 0.06 -0.13 0.13 0.01 0.12 0.00 -0.00 0.00 -0.05 0.00 -0.00 0.04 -0.04 -0.01 0.01 -0.01 -0.00 0.21 0.03 0.03 -0.02 0.00 -0.00 -0.13 0.16 0.05 0.02 0.05 0.02 0.06 -0.07 -0.02 -0.12 -0.01 -0.01 -0.06 -0.14 -0.05 0.00 -0.00 -0.00 0.03 0.00 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.02 0.00 0.01 0.00 0.00 -0.00 -0.02 -0.01 -0.03 -0.03 -0.01 -0.01 -0.05 -0.02 0.03 0.01 0.01 0.01 0.19 -0.06 0.09 0.03 -0.01 0.04 0.00 0.01 -0.01 0.24 -0.01 -0.09 0.09 -0.01 -0.04 0.05 0.02 -0.00 0.08 -0.00 -0.03 -0.23 0.00 0.08 0.21 -0.07 0.11 -0.22 0.07 -0.11 -0.24 0.02 0.07 -0.04 -0.05 -0.02 0.15 0.01 0.02 -0.11 0.10 0.03 -0.06 0.08 0.02 -0.41 -0.06 -0.06 0.10 0.00 0.01 0.29 -0.37 -0.11 -0.06 -0.14 -0.05 -0.05 0.06 0.02 0.07 -0.00 0.01 0.11 0.26 0.10 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.04 -0.09 0.08 -0.03 0.10 -0.06 -0.03 0.08 -0.01 0.01 -0.02 -0.31 0.10 -0.14 -0.23 0.12 -0.07 -0.03 0.00 -0.05 0.15 -0.00 -0.07 0.22 -0.08 -0.06 -0.00 0.01 -0.06 -0.36 -0.02 0.14 0.24 0.01 -0.07 0.40 -0.12 0.23 0.02 -0.03 0.02 0.10 -0.17 0.39 0.02 0.03 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.09 -0.01 -0.00 -0.03 -0.00 -0.00 0.04 -0.05 -0.01 0.00 0.01 0.00 -0.06 0.07 0.02 0.10 0.01 0.01 0.02 0.04 0.02 -0.00 0.00 0.00 0.01 0.00 -0.02 0.02 -0.01 0.00 -0.01 0.01 0.00 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.00 0.02 -0.02 0.03 -0.05 0.02 0.01 0.01 -0.07 -0.03 0.04 0.02 -0.01 0.02 0.23 -0.11 0.06 -0.06 0.01 -0.04 -0.12 0.01 0.03 0.09 -0.01 -0.03 -0.02 -0.01 0.01 0.38 0.03 -0.17 0.21 -0.01 -0.08 0.15 -0.04 0.10 0.26 -0.08 0.12 0.40 -0.00 -0.09 0.04 0.08 0.03 0.01 -0.00 0.00 -0.01 0.00 0.00 0.03 -0.05 -0.02 -0.32 -0.04 -0.04 -0.06 -0.01 -0.01 0.16 -0.20 -0.06 0.00 -0.01 -0.00 -0.18 0.19 0.05 0.27 0.03 0.03 0.06 0.15 0.06 0.01 -0.01 -0.00 0.02 -0.00 -0.02 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.04 -0.00 0.02 -0.04 0.01 0.01 -0.04 -0.07 0.00 0.07 -0.02 -0.02 0.05 0.14 -0.03 0.06 0.05 -0.05 0.06 0.01 -0.02 0.06 -0.13 -0.01 0.03 0.01 0.04 -0.09 0.15 -0.04 -0.03 0.41 0.08 -0.25 -0.13 0.04 -0.03 -0.35 0.13 -0.32 -0.05 -0.22 0.59 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.00 0.00 -0.02 -0.01 0.01 -0.01 0.00 -0.02 0.09 -0.01 -0.03 0.06 0.00 -0.02 -0.04 -0.01 -0.02 0.08 -0.04 0.03 0.05 -0.02 0.03 -0.04 -0.03 -0.00 -0.12 0.04 0.00 -0.25 0.05 0.12 -0.36 -0.03 0.11 -0.23 0.12 -0.11 -0.33 0.08 -0.19 0.57 -0.03 0.05 0.03 0.01 0.01 0.01 0.02 0.01 0.02 0.00 0.00 0.03 -0.04 -0.01 -0.17 0.00 -0.01 -0.05 0.01 -0.00 0.08 -0.07 -0.02 -0.01 -0.01 -0.01 -0.15 0.17 0.05 0.17 0.03 0.03 0.06 0.16 0.06 -0.00 0.00 0.00 -0.01 0.00 0.02 0.01 0.01 0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.03 0.02 -0.06 0.04 -0.00 0.00 0.00 0.17 0.10 -0.20 0.01 -0.24 -0.20 0.01 -0.01 0.00 -0.24 0.13 -0.52 -0.03 0.61 0.03 0.00 0.01 -0.01 -0.01 -0.03 0.01 0.03 -0.00 0.01 -0.00 0.04 0.05 -0.07 -0.01 0.02 -0.00 -0.02 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 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.01 0.02 0.01 0.02 -0.02 -0.03 -0.07 -0.03 0.18 -0.07 0.18 0.07 -0.01 0.03 0.01 0.07 -0.00 0.01 0.01 -0.00 -0.01 -0.14 -0.03 -0.02 0.06 -0.02 -0.04 0.04 -0.02 0.01 0.01 0.00 -0.01 -0.29 -0.21 0.42 -0.18 0.47 0.23 0.01 0.00 0.01 -0.12 0.08 -0.29 -0.15 0.29 0.09 0.00 0.00 0.00 -0.03 0.03 0.01 -0.06 0.01 -0.00 -0.03 0.01 -0.02 -0.03 0.02 -0.02 -0.03 0.01 -0.01 -0.01 -0.03 -0.01 -0.01 0.02 0.01 0.02 0.00 0.00 0.03 -0.01 -0.00 0.04 0.03 0.01 -0.03 0.01 0.00 -0.01 0.04 0.01 -0.01 -0.02 -0.01 -0.04 0.08 0.02 0.08 0.03 0.02 0.05 0.11 0.04 -0.01 0.00 0.02 0.11 0.02 -0.19 0.05 -0.18 -0.08 -0.01 -0.01 -0.02 -0.04 0.00 -0.00 -0.01 -0.00 0.02 0.08 0.01 -0.00 -0.00 -0.01 -0.04 -0.02 -0.00 0.01 -0.00 -0.01 0.00 -0.18 -0.12 0.23 0.07 0.25 0.30 -0.00 0.00 -0.01 0.03 -0.01 0.03 0.07 -0.03 -0.04 0.02 0.01 0.01 0.03 0.06 -0.01 -0.01 0.01 -0.05 0.03 0.01 0.03 0.01 -0.02 0.04 -0.10 0.02 -0.02 -0.02 -0.04 -0.02 -0.02 0.02 0.01 0.03 0.00 0.00 0.04 -0.01 -0.00 0.08 0.04 0.02 -0.03 0.02 0.00 -0.02 0.07 0.02 -0.01 -0.03 -0.01 -0.04 0.09 0.03 0.10 0.04 0.02 0.06 0.15 0.06 0.05 -0.03 -0.06 -0.22 -0.07 0.49 -0.16 0.50 0.20 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 0.03 -0.00 0.01 -0.01 -0.01 0.01 -0.00 0.16 0.11 -0.22 0.02 -0.24 -0.19 -0.01 0.01 0.00 0.04 -0.03 0.10 0.02 -0.11 -0.01 0.04 0.02 0.01 0.04 -0.13 -0.02 0.09 -0.03 0.10 0.03 -0.06 -0.02 0.06 0.02 -0.03 -0.31 0.04 -0.00 -0.05 -0.11 -0.05 -0.06 0.06 0.02 0.08 0.01 0.01 0.11 -0.03 -0.00 0.19 0.10 0.05 -0.09 0.05 0.01 -0.05 0.19 0.06 -0.04 -0.09 -0.03 -0.12 0.26 0.08 0.26 0.10 0.06 0.17 0.41 0.16 -0.02 0.02 0.03 0.08 0.03 -0.19 0.06 -0.20 -0.08 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.02 -0.05 0.03 0.02 0.02 -0.05 0.01 -0.05 -0.02 -0.03 0.02 0.04 -0.01 0.01 -0.05 0.00 0.05 0.01 0.00 -0.00 0.01 -0.03 0.52 0.05 -0.20 0.14 -0.46 0.06 -0.39 -0.26 0.28 0.15 -0.34 -0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.02 -0.01 0.01 -0.05 0.00 -0.08 0.01 -0.01 0.01 0.01 -0.02 0.16 0.02 0.03 -0.03 -0.00 -0.03 -0.03 -0.02 0.02 -0.00 -0.03 0.03 -0.07 -0.05 0.08 0.13 0.06 0.20 0.01 -0.02 -0.05 -0.07 0.04 -0.16 0.15 0.24 -0.08 0.01 -0.00 -0.00 0.03 0.31 0.01 -0.08 0.08 -0.30 -0.01 0.31 0.25 -0.20 -0.15 0.32 -0.04 -0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.05 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.05 0.00 0.01 0.01 0.01 0.01 -0.05 0.04 0.05 0.09 0.05 -0.28 0.13 -0.32 -0.12 0.01 -0.03 -0.00 -0.06 0.00 -0.01 0.00 0.01 -0.01 0.12 0.02 0.02 -0.02 -0.00 -0.04 -0.03 -0.02 0.02 -0.01 0.03 -0.03 -0.08 -0.06 0.11 0.09 0.11 0.19 -0.02 0.01 0.04 -0.06 0.04 -0.16 0.10 0.22 -0.04 -0.01 0.01 0.00 0.03 -0.40 -0.04 0.14 -0.12 0.37 0.06 -0.37 -0.24 0.24 0.15 -0.35 0.08 -0.00 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.07 -0.01 -0.01 0.02 0.00 0.00 -0.02 0.01 0.00 -0.01 0.01 0.00 -0.03 0.02 0.01 -0.06 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 0.02 0.02 0.02 0.02 -0.13 0.05 -0.15 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.03 -0.02 -0.00 -0.01 0.10 0.01 -0.01 0.03 -0.10 -0.01 0.08 0.06 -0.04 -0.04 0.09 0.02 -0.01 -0.00 -0.13 0.05 0.01 0.09 0.06 0.03 0.03 -0.11 -0.04 0.07 -0.13 -0.04 -0.43 0.01 -0.03 0.14 0.05 0.03 -0.34 0.31 0.08 -0.10 0.04 0.00 -0.32 0.32 0.09 -0.47 -0.01 -0.04 -0.11 0.05 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.00 0.03 0.03 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.24 0.05 -0.00 -0.10 -0.25 -0.10 0.15 0.12 0.06 -0.03 0.20 0.07 -0.00 -0.21 -0.08 -0.28 0.08 0.00 -0.12 -0.15 -0.06 0.27 -0.15 -0.03 0.12 0.31 0.12 -0.25 0.06 -0.00 0.19 -0.13 -0.03 -0.19 -0.42 -0.17 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.03 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.20 0.07 0.01 0.30 -0.03 0.02 0.24 -0.17 -0.04 -0.22 0.15 0.04 -0.38 -0.11 -0.07 -0.28 0.04 -0.01 -0.20 0.36 0.11 0.13 -0.04 -0.01 0.14 -0.28 -0.09 0.32 0.11 0.07 0.14 -0.06 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.49 -0.10 0.62 -0.01 -0.02 -0.01 0.28 0.12 -0.36 0.03 0.03 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.03 -0.06 -0.04 -0.01 -0.04 0.00 -0.00 0.00 -0.03 -0.01 0.03 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.01 -0.00 0.02 -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 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.10 -0.05 -0.13 0.01 -0.12 0.12 0.24 0.08 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.04 -0.00 0.02 0.00 0.00 0.00 0.00 0.04 0.86 0.40 -0.08 -0.10 0.07 -0.00 -0.00 -0.00 -0.02 -0.26 -0.07 0.02 0.01 0.04 0.00 0.01 0.00 -0.01 0.00 -0.03 -0.00 -0.05 -0.02 0.01 0.01 -0.01 0.00 0.02 0.01 -0.00 -0.06 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.07 -0.01 -0.00 -0.00 -0.00 0.01 0.21 0.10 -0.02 -0.02 0.02 0.00 0.00 -0.00 0.06 0.86 0.25 -0.08 -0.02 -0.16 0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.02 -0.00 -0.03 -0.01 -0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -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 0.00 0.01 0.01 0.00 0.13 0.06 -0.01 -0.01 0.01 0.00 0.01 0.00 0.02 0.27 0.08 -0.03 -0.00 -0.05 -0.00 -0.07 -0.03 -0.02 0.00 -0.03 -0.00 -0.09 -0.03 -0.02 -0.02 0.02 -0.00 -0.11 -0.05 0.07 0.87 0.33 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.03 -0.01 -0.00 -0.01 -0.00 0.02 0.02 -0.02 0.02 -0.02 -0.05 0.00 0.01 0.00 -0.04 -0.00 -0.08 -0.00 -0.00 -0.00 0.14 0.01 0.29 -0.02 -0.36 -0.13 -0.32 -0.32 0.34 0.04 0.60 0.24 0.00 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.05 0.03 0.00 0.01 0.00 -0.04 -0.04 0.04 0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.03 -0.00 -0.05 0.00 -0.01 -0.00 -0.25 -0.01 -0.54 0.04 0.59 0.20 -0.19 -0.20 0.21 0.02 0.33 0.13 0.00 0.06 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 0.02 0.03 -0.00 -0.02 -0.01 0.02 0.02 -0.02 -0.03 -0.07 0.02 0.00 0.03 0.01 -0.08 -0.00 -0.15 -0.00 -0.00 -0.00 -0.15 0.01 -0.32 -0.02 -0.29 -0.09 0.37 0.36 -0.41 0.02 0.50 0.22 0.00 0.03 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -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 -0.01 0.01 -0.00 0.01 -0.03 -0.05 -0.06 -0.00 0.05 0.02 -0.04 -0.04 0.04 -0.02 -0.04 0.01 -0.00 0.01 0.00 -0.06 -0.00 -0.12 -0.00 -0.01 -0.00 0.27 -0.01 0.58 0.03 0.56 0.18 0.19 0.18 -0.20 0.01 0.27 0.12 0.01 0.11 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.02 -0.07 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 0.01 0.19 0.04 0.44 0.03 0.84 0.00 -0.00 -0.00 0.01 -0.00 0.02 0.00 0.03 0.01 0.04 0.04 -0.05 0.01 0.19 0.08 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 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.06 0.04 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.12 0.07 0.58 0.56 -0.56 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.09 0.03 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -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 0.02 -0.06 -0.03 -0.16 0.91 -0.01 -0.05 -0.20 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.01 0.00 0.00 0.00 0.01 -0.07 -0.02 0.01 0.01 0.00 0.03 0.02 0.01 -0.12 0.78 0.27 0.00 -0.01 -0.00 -0.09 -0.07 -0.03 -0.02 0.01 0.00 -0.35 -0.26 -0.12 -0.03 0.16 0.06 0.20 -0.08 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.01 -0.01 -0.01 0.01 -0.00 -0.03 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 0.05 0.03 0.02 0.00 -0.00 0.00 0.05 -0.28 -0.10 0.01 -0.05 -0.02 -0.54 -0.40 -0.19 -0.02 0.01 0.00 -0.01 -0.01 -0.00 -0.08 0.54 0.19 0.26 -0.10 -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 0.02 0.01 0.00 0.00 -0.00 0.00 0.02 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.01 -0.03 -0.03 -0.01 0.03 0.02 0.01 0.05 -0.33 -0.11 0.00 -0.01 -0.00 0.40 0.30 0.14 -0.05 0.02 0.00 -0.34 -0.25 -0.12 -0.02 0.12 0.04 0.59 -0.23 -0.03 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.03 -0.02 -0.01 -0.04 -0.03 -0.01 -0.04 0.23 0.08 0.01 -0.05 -0.02 0.33 0.24 0.11 -0.01 0.01 0.00 0.48 0.35 0.17 -0.09 0.57 0.20 0.08 -0.04 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.01 0.00 -0.03 -0.03 -0.01 -0.02 0.14 0.05 -0.00 0.04 0.01 -0.16 -0.12 -0.06 -0.06 0.02 0.00 0.36 0.27 0.13 0.07 -0.46 -0.16 0.63 -0.25 -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 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.07 -0.07 0.06 -0.36 -0.01 -0.12 -0.44 0.81 6 8 8 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 6 6 6 6 1 6 1 6 1 1 1 6 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 6 8 8 6 6 6 6 1 1 6 1 1 6 1 1 1 1 1 6 6 6 6 1 6 1 6 1 1 1 6 1 1 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 216.11503 1282.13393 7265.64513 7618.20333 0.99999 -0.00275 0.00344 0.00259 0.99898 0.04506 -0.00356 -0.04505 0.99898 asymmetric 1 0.06755 0.01192 0.01137 1.40761 0.24839 0.23690 705187.1 54.41 60.32 119.47 161.18 187.22 215.44 303.10 340.61 394.88 420.92 454.34 511.99 601.20 621.27 677.07 693.64 720.75 745.68 795.46 835.43 914.03 965.00 976.94 1020.71 1031.56 1116.48 1121.10 1135.44 1180.10 1217.88 1237.63 1284.80 1325.16 1344.76 1390.79 1405.29 1429.65 1432.89 1464.21 1493.22 1524.09 1529.84 1564.26 1573.07 1593.79 1627.65 1641.14 1729.47 1745.61 1762.46 1767.13 1777.73 1863.74 1874.06 1892.24 1919.92 1959.45 1971.54 1978.05 1981.02 2016.62 2049.74 2140.20 2150.76 2163.49 2164.74 2176.35 2189.91 2200.11 2227.14 2364.73 2396.59 2852.81 4301.73 4321.66 4330.17 4399.83 4404.64 4462.11 4467.46 4476.76 4494.94 4544.45 4562.16 4570.90 4585.83 4598.45 4615.80 4720.68 0.268592 0.282296 0.283241 0.227430 -693.264172 -693.250468 -693.249523 -693.305334 177.144 54.667 117.464 0.000 0.000 0.000 0.889 2.981 42.015 0.889 2.981 32.629 175.366 48.705 42.820 1 0.594 1.982 5.370 2 0.595 1.980 5.166 3 0.600 1.961 3.818 4 0.607 1.940 3.234 5 0.612 1.923 2.944 6 0.618 1.903 2.676 7 0.643 1.825 2.038 8 0.656 1.784 1.827 9 0.677 1.721 1.568 10 0.688 1.688 1.459 11 0.703 1.644 1.332 12 0.731 1.563 1.140 13 0.781 1.431 0.899 14 0.793 1.401 0.853 15 0.828 1.315 0.736 16 0.838 1.290 0.704 17 0.856 1.248 0.656 18 0.873 1.210 0.614 19 0.908 1.133 0.538 20 0.937 1.073 0.484 0.857156e+19 18.933060 43.594982 0.227616e+05 4.357203 10.032831 0.100000e+01 0.000000 0.000000 0.124877e+09 8.096481 18.642837 0.301561e+07 6.479376 14.919314 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.0385 -1.4512 1.0499 4.4179 -113.3930 -89.4186 -94.2697 -3.6418 5.2138 3.8458 -14.3659 9.6085 4.7574 -3.6418 5.2138 3.8458 -122.3795 -1.0279 -0.6459 -3.4115 -9.8570 17.3904 17.4358 -4.7878 3.7121 1.3111 -5121.3395 -691.1545 -464.2057 -78.6085 111.0887 -9.7934 10.4950 -5.6024 -8.3377 -930.4293 -946.2390 -200.4597 64.9891 0.6703 -3.8409 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 1-A -693.532764 1.989E-9 4.577E-6 0.2685916 0.2822965 -693.2504675 -693.2495234 -693.3053341 2.8931624,-5.0043891,2.1112267,8.8437003,-3.172756,3.4826435 C01 [X(C14H16O2)] 1.1239362 -1.1898318 0.5849818 0.7875509 -0.2853705 0.5569678 -0.713984 1.0316232 -0.5127446 1.0678614 -1.0425618 1.2001799 -0.7717636 0.4046782 -0.3004809 -0.2770562 -0.8881941 -0.0837866 -0.173178 -0.0347471 -0.5335848 -0.5575883 0.2152354 -0.2253614 0.4655083 -0.7305513 0.4065351 -0.7578363 0.781263 -0.9764649 1.318538 -0.5062505 0.084332 0.2091319 0.6877579 -0.0145107 0.0525465 0.0737514 0.6624392 -0.1872971 0.1700934 0.0277128 -0.0408853 0.0285525 -0.0028932 0.0041107 0.0091742 -0.1707905 -0.1153695 0.2013917 -0.1142639 0.0605473 0.0229749 0.0611347 -0.0417006 0.0205075 -0.0981648 0.1062974 -0.0537733 -0.012297 -0.0639263 0.0688293 0.020748 0.0322081 -0.1161283 0.1079248 -0.1206533 -0.0869845 0.0189775 -0.0054789 0.0008646 -0.0265407 0.1100069 -0.0603554 0.0502676 0.0432153 0.0512629 -0.0752685 0.0561962 -0.0413431 0.0292416 -0.0229854 0.0159788 -0.0032429 0.1165996 -0.0457807 0.0249279 -0.0787881 0.0957622 -0.0465662 -0.0509513 0.1054693 0.0781617 -0.0986112 -0.070465 -0.0224626 -0.0044977 0.0011977 0.0239661 -0.0560517 0.0626782 0.0449363 0.0239918 0.0505365 0.0923304 0.0688267 -0.0486112 -0.0375086 0.0407612 -0.0429173 -0.0540504 0.1560236 0.0682669 0.0058657 0.0448342 0.1182533 -0.0062986 -0.0037349 0.0025224 0.1110201 -0.000525 0.0429968 0.0783072 0.0579909 0.0092552 -0.0380742 0.060972 -0.049542 -0.1174628 -0.0560343 -0.0701713 -0.0266272 -0.0485417 0.0020006 0.0057401 0.0026429 0.0401981 0.0369589 -0.0154451 0.055939 -0.0938163 0.0769934 -0.0085307 0.0607659 -0.0603889 0.0587051 -0.0923333 -0.0647339 -0.0735211 0.0285884 -0.0491937 -0.0014319 -0.0105742 -0.0026228 -0.0311206 0.0376484 -0.115031 -0.0736573 -0.0008386 -0.0576703 -0.0491292 -0.0000405 0.0022187 0.0012137 -0.0128647 -0.0543342 -0.0404223 -0.0035587 -0.1462809 0.32493 0.0257423 -0.0084735 0.0255485 -0.0555489 0.053602 0.0859508 -0.0008117 0.133631 -0.1103371 -0.0022684 0.0021194 -0.0049825 -0.1217987 0.0337148 -0.0790107 -0.0091042 -0.0013022 -0.1610061 -0.0006224 -0.0038921 -0.0013733 -0.1182746 0.1389936 -0.0720116 -0.0139908 -0.0527072 -0.0244279 0.0068864 -0.0135631 0.0076116 -0.09322 -0.0263734 -0.0826062 -0.0000584 -0.1083242 -0.0205377 -0.0037137 -0.0025226 -0.0041394 0.0956174 0.0972983 0.1161109 -0.0018845 0.0699255 0.0571922 0.0062234 -0.0025374 0.0064419 -0.1015607 -0.0799166 0.0926212 0.0116249 0.067369 0.0550545 -0.0081207 0.0113148 -0.0071306 0.0960524 -0.0935525 -0.0170949 -0.0024284 -0.012216 0.0781235 0.0143244 -0.0015789 0.0137043 -0.1122477 -0.1025707 0.0781485 0.0130018 0.0655343 0.0179117 -0.007983 0.0127951 -0.0087905 0.107418 -0.0491705 -0.0986194 0.0004104 -0.0711902 -0.0267485 -0.005183 0.001292 -0.0045392 0.1068189 0.0570972 0.028721 0.0037711 0.0309476 -0.1284875 -0.0161519 0.004175 -0.0169643 0.1100998 -0.5670697 0.2681138 0.0135048 0.4732775 -0.5420344 0.2221701 -0.1161356 0.1295228 -0.2058501 -0.0235875 -0.1411614 -0.0597721 -0.0450798 0.0808841 -0.004871 -0.0364384 0.0244766 0.0543601 0.1667047 -0.1331664 0.0027025 -0.1035912 0.1002034 -0.0550258 -0.0504333 0.046525 -0.0324438 168.9993462|-22.2371264|179.2710066|5.948171|-2.3279071|100.163692 0.000019028 0.000007981 0.000020925 -0.000007724 -0.000009553 -0.000010957 0.000004594 -0.000006170 -0.000004119 -0.000010942 0.000004124 -0.000000954 -0.000002534 -0.000005876 0.000010968 -0.000002153 -0.000007283 -0.000006449 -0.000000276 0.000005589 0.000002098 0.000003309 0.000004470 0.000001051 -0.000000181 0.000005345 0.000000874 0.000001364 0.000004237 0.000000105 0.000000996 0.000002183 0.000001821 -0.000000813 0.000001318 -0.000001126 -0.000000162 0.000000112 0.000000796 -0.000000312 -0.000000541 0.000000590 -0.000001320 -0.000000068 -0.000000279 -0.000001993 -0.000001995 0.000000122 -0.000002605 -0.000000098 -0.000000154 0.000000152 -0.000000040 0.000000876 0.000000605 0.000000103 0.000000015 0.000000061 -0.000000022 0.000000555 0.000000344 0.000000197 -0.000000856 0.000000208 0.000000172 0.000000248 0.000000119 0.000000084 0.000001309 -0.000000017 0.000000070 -0.000001245 -0.000000021 -0.000000236 -0.000001209 0.000000125 0.000000179 -0.000000672 0.000000202 0.000000132 0.000000655 0.000000156 0.000000092 -0.000001891 0.000000208 0.000000154 -0.000000942 0.000003548 -0.000009846 -0.000010082 -0.000003207 0.000003849 -0.000000363 -0.000000761 0.000001337 -0.000001711 200.14859999999993 AuxInfo=1/0/N:1;4;5;6;7;10;13;19;20;21;22;24;26;30;2;3;8;9;11;12;14;15;16;17;18;23;25;27;28;29;31;32/rA:32nC0O0O0C0C0C0C0H0H0C0H0H0C0H0H0H0H0H0C0C0C0C0H0C0H0C0H0H0H0C0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.2802,3.8995,-.3424;1.6451,4.4871,.4796;-.0566,4.4932,-1.3134;2.3369,3.4022,.3342;2.8735,2.976,-1.0105;3.0171,2.8045,1.5367;3.0736,1.4578,-1.1167;3.85,3.4824,-1.1038;2.2421,3.3667,-1.8127;3.2086,1.2836,1.409;4.0033,3.2934,1.6066;2.464,3.0797,2.4396;3.8798,.8946,.0736;3.5818,1.2138,-2.0562;2.0858,.9836,-1.1496;3.8079,.9135,2.2483;2.2269,.8001,1.4763;4.8713,1.3718,.0543;4.0863,-.6056,-.0363;5.3753,-1.1447,-.1241;2.9949,-1.4871,-.0505;5.5743,-2.5233,-.2233;6.234,-.4767,-.1152;3.188,-2.8646,-.1491;1.9833,-1.094,.0151;4.48,-3.3886,-.236;6.5843,-2.9191,-.2909;2.3286,-3.53,-.1588;4.6311,-4.4619,-.3133;.1201,2.6828,.3234;-.6758,2.0364,-.0435;.3111,2.6475,1.3862;