Gaussian 16 GINC-EXP-2-53 TVU3 Template file ES64L-G16RevC.01 25-Feb-2026 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 29 29 (5D, 7F) def2SVP RwB97XD def2SVP FOpt # opt=(tight,recalc=5,gdiis) freq wb97xd nosymm def2svp SCRF=(solvent=DiMethylSulfoxide) 191.13690319999995 1 1 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2167,.1891,.8541;1.4099,-.9398,-.4001;1.2955,.4872,-.6556;2.1853,1.0609,-.8978;.4195,.8138,-1.2065;2.2395,-.9596,.798;2.1607,-1.8092,1.4681;3.2559,-.581,.7348;.475,.6939,1.8313;-.1825,1.5298,1.6539;.5925,.3634,2.851;.4699,-1.9734,-.8478;1.0864,-2.6632,-1.4608;.0759,-2.5749,-.0121;-.5593,-1.4126,-1.6164;-1.4017,-2.369,-2.2413;-2.0614,-1.7742,-2.8776;-.8088,-3.0396,-2.876;-2.2187,-3.169,-1.2547;-3.0116,-2.5034,-.325;-2.1876,-4.5581,-1.2564;-3.7697,-3.209,.5914;-3.0355,-1.4246,-.3242;-2.9478,-5.2813,-.3527;-1.5764,-5.086,-1.9728;-3.7275,-4.5918,.5575;-4.3931,-2.7096,1.3155;-2.9422,-6.3597,-.3468;-4.4724,-5.2921,1.4473; g16 Output=BCP_Product_Cation_DMSO_000008.log nprocshared=16 mem=30GB # opt=(tight,recalc=5,gdiis) freq wb97xd nosymm def2svp SCRF=(solvent= 1/7=10,10=4,18=20,19=11,26=3,38=1,71=5/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,70=2201,71=2,72=21,74=-58,140=1/1,2,3 4//1 5/5=2,38=5,53=21/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,13=1,31=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1,30=1/1,2,3,16 1/7=10,10=4,18=20,19=11,26=3,71=5/3(3) 2/9=110,15=1/2 7/9=1,25=1,30=1,44=-1/16 99//99 2/9=110,15=1/2 3/5=43,7=101,11=2,25=1,30=1,70=2205,71=2,72=21,74=-58,140=1/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=21/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,13=1,31=1/2 7/10=1,25=1,30=1/1,2,3,16 1/7=10,18=20,19=11,26=3,71=5/3(-8) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 7/9=1,25=1,30=1,44=-1/16 99/9=1/99 Template file 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 1 1 1 1 2 2 2 3 3 6 6 9 9 12 12 12 15 16 16 16 19 19 20 20 21 21 22 22 24 24 26 2 3 6 9 3 6 12 4 5 7 8 10 11 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 1.6984 1.5409 1.5391 1.3266 1.4542 1.4574 1.4671 1.086 1.0852 1.0849 1.0865 1.0781 1.0784 1.1099 1.1024 1.4016 1.4194 1.0926 1.0973 1.5102 1.3914 1.3895 1.3828 1.0791 1.3848 1.0795 1.3839 1.0782 1.3827 1.0784 1.3554 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 3 3 6 1 3 3 6 1 1 2 2 4 1 1 2 2 7 1 1 10 2 2 2 13 13 14 12 15 15 15 17 17 18 16 16 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 1 1 2 2 2 2 3 3 3 3 3 6 6 6 6 6 9 9 9 12 12 12 12 12 12 15 16 16 16 16 16 16 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 9 6 9 9 12 6 12 12 4 5 4 5 5 7 8 7 8 8 10 11 11 13 14 15 14 15 15 16 17 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 149.3747 94.2848 132.5843 133.0328 128.3636 101.6891 125.9647 127.2985 111.2565 120.9504 119.5389 116.62 112.9113 120.9108 111.3294 118.4997 118.6805 112.1291 120.9864 121.2673 117.3589 104.505 112.4657 110.8522 106.1506 110.7095 111.8098 114.0555 104.3524 110.2285 112.9752 108.7851 110.0103 110.273 119.4344 121.1085 119.4566 120.7367 119.4236 119.8393 120.6029 120.1575 119.236 118.4847 121.7134 119.7985 118.5986 121.5374 119.864 122.1159 118.9072 118.9768 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 6 6 9 9 3 3 9 9 2 2 3 3 6 6 6 6 12 12 3 3 12 12 1 1 1 3 3 3 6 6 6 2 13 14 12 12 12 15 15 17 17 18 18 16 16 21 21 16 16 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 12 12 12 15 15 15 16 16 16 16 16 16 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 3 3 3 3 6 6 6 6 9 9 9 9 9 9 3 3 3 3 6 6 6 6 12 12 12 12 12 12 12 12 12 15 15 15 16 16 16 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 12 4 5 4 5 7 8 7 8 10 11 10 11 10 11 4 5 4 5 7 8 7 8 13 14 15 13 14 15 13 14 15 16 16 16 17 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 0.2892 -78.4878 145.4279 104.8556 -31.2287 -147.5593 77.6003 29.0729 -105.7674 -92.652 94.6819 -5.4655 -178.1317 179.0978 6.4317 63.8269 -154.4949 -140.0158 1.6624 154.1634 -64.0606 -1.5511 140.225 -163.748 -49.0461 76.9496 121.5008 -123.7973 2.1984 -88.3412 26.3607 152.3564 171.5981 56.0963 -62.0413 -173.7846 -57.1352 66.7351 54.1061 -125.6307 -62.0576 118.2056 177.9519 -1.7849 -179.95 0.27 -0.2088 -179.9888 -179.5748 -0.2642 0.6884 179.999 -0.3629 -179.7019 179.4162 0.0772 -0.5769 179.4158 -179.8938 0.0989 0.4792 -179.6658 179.8312 -0.3138 -0.0131 -179.8679 179.9941 0.1393 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 29 1.00e+00 60 F Berny optimization. local minimum Step number 17 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00116 0.00271 0.00515 0.00605 0.00760 0.01127 0.01601 0.01818 0.01848 0.01979 0.02305 0.02361 0.02482 0.02565 0.02817 0.03041 0.03132 0.03187 0.03614 0.03709 0.04030 0.04045 0.04329 0.04627 0.05183 0.05640 0.05715 0.05801 0.06270 0.07879 0.08861 0.10269 0.10400 0.10453 0.10730 0.10890 0.11320 0.11765 0.12297 0.12415 0.13413 0.14095 0.15889 0.17375 0.17557 0.18146 0.18924 0.19471 0.19849 0.22439 0.23694 0.24140 0.27614 0.28593 0.30411 0.31563 0.31968 0.32860 0.33435 0.33671 0.34745 0.35053 0.35308 0.35607 0.36278 0.36462 0.36465 0.36802 0.36887 0.36910 0.37072 0.37264 0.39418 0.40956 0.43174 0.46579 0.49128 0.49496 0.50167 0.53781 0.61276 1 2 0.00000372 0.00000000 0.00000000 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 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 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 3.17617 2.90741 2.91759 2.53838 2.76191 2.76073 2.79337 2.07420 2.06464 2.06618 2.07331 2.06350 2.06396 2.10270 2.08736 2.61911 2.68138 2.07566 2.08521 2.85676 2.64891 2.63994 2.62925 2.06493 2.63681 2.06519 2.62975 2.06213 2.62261 2.06161 2.52423 2.40378 1.64692 2.29654 2.29426 2.20374 1.76921 2.21130 2.20684 1.93697 2.08654 2.04138 2.04454 2.01856 2.08907 1.93106 2.06723 2.03938 2.00689 2.10330 2.10996 2.06710 1.81476 1.90621 1.93982 1.84990 1.96268 1.98101 2.00054 1.83208 1.93129 1.95388 1.88072 1.93369 1.92876 2.08615 2.12249 2.07424 2.11209 2.08589 2.08520 2.11130 2.09094 2.08094 2.07014 2.12341 2.08962 2.07110 2.12124 2.09080 2.12747 2.07599 2.07973 0.00075 -1.29262 2.57107 2.14928 -0.27022 -2.59708 1.29047 0.24483 -2.15081 -1.63409 1.58942 -0.26295 2.96056 -3.00007 0.22344 1.08589 -2.68799 -2.49385 0.01545 2.68288 -1.08088 -0.02211 2.49732 -2.85137 -0.88274 1.31619 2.13431 -2.18025 0.01869 -1.55069 0.41794 2.61688 -2.64220 1.61452 -0.48540 -3.01627 -0.99190 1.16799 0.95927 -2.15591 -1.07932 2.08867 3.12058 0.00539 -3.11536 0.03064 0.00056 -3.13662 3.12077 -0.01744 0.00541 -3.13280 -0.00309 -3.13870 3.13409 -0.00152 -0.00863 -3.14077 3.12960 -0.00254 -0.00027 3.14134 3.13546 -0.00612 0.00605 -3.13556 3.13836 -0.00325 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 3.17617 2.90741 2.91759 2.53838 2.76191 2.76073 2.79337 2.07420 2.06464 2.06618 2.07331 2.06350 2.06396 2.10270 2.08736 2.61911 2.68138 2.07566 2.08521 2.85676 2.64891 2.63994 2.62925 2.06493 2.63681 2.06519 2.62975 2.06213 2.62261 2.06161 2.52423 2.40378 1.64692 2.29654 2.29426 2.20374 1.76921 2.21130 2.20684 1.93697 2.08654 2.04138 2.04454 2.01856 2.08907 1.93106 2.06723 2.03938 2.00689 2.10330 2.10996 2.06710 1.81476 1.90621 1.93982 1.84990 1.96268 1.98101 2.00054 1.83208 1.93129 1.95388 1.88072 1.93369 1.92876 2.08615 2.12249 2.07424 2.11209 2.08589 2.08520 2.11130 2.09094 2.08094 2.07014 2.12341 2.08962 2.07110 2.12124 2.09080 2.12747 2.07599 2.07973 0.00075 -1.29262 2.57107 2.14928 -0.27022 -2.59708 1.29047 0.24483 -2.15081 -1.63409 1.58942 -0.26295 2.96056 -3.00007 0.22344 1.08589 -2.68799 -2.49385 0.01545 2.68288 -1.08088 -0.02211 2.49732 -2.85137 -0.88274 1.31620 2.13431 -2.18025 0.01869 -1.55069 0.41794 2.61688 -2.64221 1.61452 -0.48540 -3.01627 -0.99190 1.16799 0.95927 -2.15592 -1.07933 2.08867 3.12058 0.00539 -3.11536 0.03064 0.00056 -3.13662 3.12077 -0.01744 0.00541 -3.13280 -0.00309 -3.13870 3.13409 -0.00152 -0.00863 -3.14077 3.12960 -0.00254 -0.00027 3.14134 3.13546 -0.00612 0.00605 -3.13556 3.13836 -0.00325 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000014 0.000004 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -1.780719e-13 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 1 1 1 1 2 2 2 3 3 6 6 9 9 12 12 12 15 16 16 16 19 19 20 20 21 21 22 22 24 24 26 2 3 6 9 3 6 12 4 5 7 8 10 11 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 1.6808 1.5385 1.5439 1.3433 1.4615 1.4609 1.4782 1.0976 1.0926 1.0934 1.0971 1.092 1.0922 1.1127 1.1046 1.386 1.4189 1.0984 1.1034 1.5117 1.4017 1.397 1.3913 1.0927 1.3953 1.0928 1.3916 1.0912 1.3878 1.091 1.3358 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 3 3 6 1 3 3 6 1 1 2 2 4 1 1 2 2 7 1 1 10 2 2 2 13 13 14 12 15 15 15 17 17 18 16 16 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 1 1 2 2 2 2 3 3 3 3 3 6 6 6 6 6 9 9 9 12 12 12 12 12 12 15 16 16 16 16 16 16 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 9 6 9 9 12 6 12 12 4 5 4 5 5 7 8 7 8 8 10 11 11 13 14 15 14 15 15 16 17 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 137.7263 94.3618 131.5819 131.4515 126.2648 101.3681 126.6982 126.4425 110.98 119.55 116.9625 117.1437 115.655 119.695 110.6418 118.4438 116.8479 114.9861 120.5104 120.8917 118.4363 103.9782 109.2178 111.1438 105.9914 112.4533 113.5035 114.6224 104.9703 110.6545 111.949 107.7572 110.792 110.5095 119.5276 121.61 118.8455 121.0136 119.5128 119.4731 120.9687 119.802 119.229 118.6102 121.6626 119.7263 118.6655 121.5381 119.7943 121.8949 118.9455 119.1596 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 6 6 9 9 3 3 9 9 2 2 3 3 6 6 6 6 12 12 3 3 12 12 1 1 1 3 3 3 6 6 6 2 13 14 12 12 12 15 15 17 17 18 18 16 16 21 21 16 16 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 12 12 12 15 15 15 16 16 16 16 16 16 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 2 3 3 3 3 6 6 6 6 9 9 9 9 9 9 3 3 3 3 6 6 6 6 12 12 12 12 12 12 12 12 12 15 15 15 16 16 16 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 12 4 5 4 5 7 8 7 8 10 11 10 11 10 11 4 5 4 5 7 8 7 8 13 14 15 13 14 15 13 14 15 16 16 16 17 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 0.0428 -74.0619 147.3113 123.1446 -15.4822 -148.8017 73.9383 14.0276 -123.2324 -93.6265 91.0669 -15.066 169.6274 -171.8916 12.8019 62.2171 -154.0107 -142.8873 0.885 153.7175 -61.9298 -1.2668 143.0859 -163.3717 -50.5773 75.4124 122.2867 -124.9189 1.0707 -88.8481 23.9463 149.936 -151.3872 92.5052 -27.8115 -172.8196 -56.8317 66.9206 54.9624 -123.5247 -61.8406 119.6723 178.796 0.3089 -178.4971 1.7558 0.032 -179.7152 178.8071 -0.9991 0.31 -179.4963 -0.1772 -179.8343 179.5701 -0.087 -0.4945 -179.9531 179.3128 -0.1457 -0.0154 179.9857 179.6485 -0.3504 0.3468 -179.6543 179.815 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2167,.1891,.8541;1.4099,-.9398,-.4001;1.2955,.4872,-.6557;2.1853,1.0609,-.8977;.4195,.8138,-1.2065;2.2395,-.9596,.798;2.1607,-1.8091,1.4681;3.2559,-.581,.7348;.475,.694,1.8313;-.1825,1.5298,1.6539;.5925,.3634,2.851;.4699,-1.9734,-.8477;1.0864,-2.6632,-1.4608;.0759,-2.5749,-.0121;-.5593,-1.4126,-1.6164;-1.4017,-2.369,-2.2413;-2.0614,-1.7742,-2.8776;-.8088,-3.0396,-2.876;-2.2187,-3.169,-1.2547;-3.0116,-2.5034,-.325;-2.1876,-4.5581,-1.2564;-3.7697,-3.209,.5914;-3.0355,-1.4246,-.3242;-2.9478,-5.2813,-.3527;-1.5764,-5.086,-1.9727;-3.7275,-4.5918,.5575;-4.3931,-2.7096,1.3155;-2.9422,-6.3597,-.3468;-4.4724,-5.2921,1.4473; 0.000000 1.698416 0.000000 1.540892 1.454237 0.000000 2.183377 2.202605 1.086008 0.000000 2.296044 2.169455 1.085152 1.809572 0.000000 1.539065 1.457354 2.257753 2.638324 3.236580 0.000000 2.293727 2.193102 3.245359 3.719526 4.131057 1.084890 0.000000 2.183059 2.196430 2.630129 2.550882 3.709385 1.086528 1.801554 0.000000 1.326598 2.919274 2.626909 3.241486 3.040642 2.629675 3.039569 3.249791 0.000000 2.096420 3.585215 2.933523 3.512467 3.009497 3.577101 4.083351 4.137978 1.078149 0.000000 2.099494 3.596729 3.578595 4.132415 4.086119 2.945847 3.015288 3.530492 1.078404 1.842284 0.000000 2.851330 1.467116 2.602543 3.485956 2.810669 2.620603 2.872138 3.493590 3.780446 4.353884 4.376831 0.000000 3.675754 2.049379 3.258412 3.923421 3.549540 3.055151 3.234555 3.723311 4.741534 5.375234 5.291184 1.109885 0.000000 3.113051 2.145637 3.358287 4.295649 3.609413 2.818951 2.669115 3.827037 3.773931 4.437431 4.134991 1.102390 1.768555 0.000000 3.438421 2.362412 2.823623 3.763981 2.466388 3.723932 4.131618 4.558044 4.170587 4.415294 4.943565 1.401641 2.072847 2.080383 0.000000 4.793855 3.652139 4.236441 5.141585 3.810248 4.947909 5.173425 5.809272 5.430438 5.644480 6.113500 2.366727 2.624212 2.682316 1.419447 0.000000 5.340935 4.345632 4.617359 5.476490 3.955400 5.715847 6.059126 6.538116 5.890557 5.914530 6.665569 3.250756 3.564593 3.663320 1.994394 1.092643 0.000000 5.332943 3.932202 4.668678 5.449027 4.375452 5.207361 5.404063 5.966969 6.143766 6.464660 6.807577 2.624075 2.395084 3.033237 2.072649 1.097262 1.780449 0.000000 5.246433 4.343569 5.106495 6.116710 4.777544 5.382368 5.333129 6.373937 5.630396 5.889376 6.102253 2.970430 3.349940 2.676175 2.443180 1.510231 2.145690 2.152474 0.000000 5.149544 4.690482 5.254000 6.327721 4.853197 5.587299 5.518163 6.640824 5.198925 5.309112 5.594184 3.560190 4.255537 3.104089 2.978482 2.506450 2.819718 3.412865 1.391445 0.000000 6.211181 5.173757 6.160222 7.129077 5.971342 6.063704 5.821328 7.029525 6.648848 7.039391 6.987219 3.729605 3.788369 3.256487 3.560196 2.525820 3.224023 2.613462 1.389471 2.401724 0.000000 6.039830 5.741148 6.393231 7.477380 6.079862 6.419659 6.156121 7.502392 5.898114 6.037660 6.074252 4.644525 5.300107 3.943908 4.290425 3.786436 4.124445 4.562703 2.411471 1.382838 2.781582 0.000000 4.698199 4.472427 4.745779 5.810606 4.210192 5.412996 5.510079 6.435437 4.632270 4.558637 5.142106 3.586474 4.451528 3.331805 2.793062 2.690050 2.755165 3.752030 2.139100 1.079072 3.377363 2.135782 0.000000 6.980271 6.151495 7.167539 8.177354 7.015589 6.848985 6.439577 7.858851 7.224207 7.620042 7.393274 4.782039 4.935312 4.072256 4.718980 3.799858 4.411473 3.995989 2.409842 2.778815 1.384785 2.421020 3.857853 0.000000 6.604441 5.346276 6.406538 7.286305 6.275255 6.266175 6.045134 7.139844 7.217113 7.672339 7.594024 3.891189 3.636315 3.588850 3.828234 2.735829 3.467293 2.364979 2.145497 3.383019 1.079539 3.861111 4.272284 2.131503 0.000000 6.883983 6.375510 7.245595 8.308511 7.037742 6.989617 6.575955 8.055163 6.871868 7.158442 6.962509 5.142806 5.564767 4.342550 4.987010 4.264192 4.744980 4.766232 2.754078 2.377526 2.379593 1.383856 3.359696 1.382678 3.357567 0.000000 6.331268 6.304853 6.816581 7.898782 6.475825 6.879055 6.617179 7.960907 5.962281 5.984683 6.054526 5.373134 6.142951 4.663974 4.997642 4.660019 4.888206 5.524966 3.397842 2.154601 3.859549 1.078207 2.486604 3.389106 4.939030 2.135550 0.000000 7.850138 6.951224 8.058177 9.036586 7.968671 7.571066 7.073989 8.542836 8.134809 8.594364 8.241372 5.579705 5.579898 4.852392 5.635954 4.678483 5.311128 4.687433 3.395391 3.856980 2.154697 3.389914 4.936035 1.078382 2.476200 2.135329 4.265168 0.000000 7.922177 7.547036 8.431615 9.496570 8.261706 8.015073 7.492004 9.079071 7.775424 8.061296 7.720651 6.380243 6.802156 5.495475 6.304695 5.619590 6.074030 6.098136 4.109493 3.612712 3.615148 2.359156 4.490060 2.358982 4.486226 1.355418 2.587073 2.588447 0.000000 1.1582774 0.2821844 0.2563596 -10.39120 -10.36934 -10.36813 -10.36584 -10.36428 -10.31904 -10.31814 -10.31760 -10.31548 -10.31485 -1.31293 -1.16940 -1.08771 -0.97779 -0.90624 -0.88061 -0.86434 -0.85416 -0.84638 -0.77405 -0.73006 -0.70254 -0.69489 -0.67818 -0.64716 -0.64196 -0.62486 -0.61411 -0.59725 -0.58750 -0.57263 -0.56641 -0.56185 -0.55481 -0.54238 -0.53032 -0.52715 -0.51093 -0.50174 -0.49119 -0.47848 -0.46457 -0.46023 -0.44215 -0.42902 -0.40403 -0.37953 -0.35397 -0.33442 -0.07330 0.04159 0.04902 0.08491 0.12771 0.14708 0.15257 0.15867 0.16334 0.17370 0.17488 0.18103 0.18877 0.19344 0.20261 0.20857 0.21642 0.22100 0.23022 0.23306 0.24022 0.24802 0.27419 0.28164 0.29272 0.30146 0.32036 0.33481 0.36654 0.37197 0.38325 0.38547 0.38936 0.40915 0.43113 0.45484 0.47185 0.47791 0.49372 0.51051 0.51789 0.52605 0.52722 0.54045 0.54298 0.54949 0.55210 0.55846 0.57726 0.57905 0.60257 0.61253 0.62041 0.63285 0.64482 0.65374 0.65638 0.66181 0.68020 0.68310 0.68820 0.69697 0.70543 0.70957 0.71406 0.72468 0.72524 0.73050 0.73626 0.74188 0.74465 0.75587 0.76222 0.76810 0.77203 0.78430 0.79017 0.80451 0.80668 0.81757 0.82126 0.83490 0.84952 0.85448 0.86242 0.89549 0.90042 0.93329 0.94757 0.96352 0.97244 0.99395 1.02651 1.06664 1.14527 1.16608 1.18380 1.20345 1.22239 1.24527 1.25446 1.29713 1.30594 1.31106 1.32030 1.32763 1.34285 1.36039 1.37089 1.37384 1.39019 1.41055 1.43977 1.48837 1.50625 1.54075 1.55490 1.56482 1.57854 1.58904 1.59444 1.63506 1.63772 1.65282 1.66583 1.67949 1.70043 1.71771 1.74028 1.74140 1.74982 1.75978 1.78212 1.79410 1.79980 1.81660 1.82025 1.82144 1.82928 1.84482 1.84946 1.85699 1.86630 1.87343 1.87861 1.90487 1.93056 1.93389 1.93676 1.95442 1.97351 1.97519 1.98836 2.00231 2.02245 2.03797 2.05468 2.06021 2.07625 2.09399 2.10894 2.12130 2.14326 2.15370 2.17146 2.19691 2.21620 2.21963 2.23134 2.24266 2.25474 2.27175 2.28998 2.31147 2.32118 2.33759 2.34837 2.37706 2.39688 2.42521 2.43559 2.44842 2.45502 2.46099 2.47043 2.50526 2.54680 2.57090 2.62121 2.65679 2.68038 2.69258 2.69798 2.70768 2.71902 2.72729 2.77159 2.80976 2.82799 2.84350 2.85334 2.87153 2.89518 2.90807 2.94103 2.94369 2.96974 2.98577 2.99475 3.01354 3.05014 3.07165 3.12330 3.15538 3.16109 3.19574 3.21440 3.25411 3.27986 3.28853 3.38744 3.40426 3.58168 3.61419 3.64121 3.97086 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 C C C H H C H H C H H C H H O C H H C C C C H C H C H H F -0.293604 -0.150508 0.143373 0.130794 0.112396 0.132985 0.116836 0.130256 0.095861 0.108001 0.108351 0.326812 0.108857 0.089605 -0.429030 0.307288 0.064465 0.041044 -0.174355 -0.004842 -0.011484 -0.081501 0.032341 -0.083447 0.033580 0.295014 0.042759 0.042196 -0.234047 1.00000 6.1408 -3.1859 0.0642 6.9184 -76.4819 -70.3552 -73.1996 -10.3153 4.4905 11.7629 -3.1363 2.9904 0.1460 -10.3153 4.4905 11.7629 343.5564 537.8025 57.3495 137.0175 231.7963 12.8939 100.6908 187.8191 -36.8159 -25.2966 -3134.7281 -4453.2428 -755.3404 -1797.5925 -33.2690 -1694.8329 72.7720 -33.0966 -158.1446 -1545.2175 -653.0046 -911.5386 -10.8587 106.3699 -545.2514 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1719,.1539,.8402;1.4296,-.9353,-.4279;1.31,.4971,-.661;2.2296,1.0686,-.8376;.4382,.8311,-1.2276;2.2225,-.9752,.7977;2.1135,-1.8439,1.452;3.237,-.5605,.7574;.3237,.5708,1.7874;-.385,1.375,1.5841;.3764,.1667,2.7994;.4975,-1.9762,-.9005;1.151,-2.6532,-1.4975;.1312,-2.5795,-.0486;-.5171,-1.4159,-1.6544;-1.385,-2.356,-2.2629;-2.0438,-1.7559,-2.9048;-.8126,-3.0433,-2.9099;-2.1947,-3.1379,-1.2542;-2.9528,-2.4569,-.2932;-2.195,-4.5346,-1.2507;-3.702,-3.1526,.6499;-2.9541,-1.3653,-.2819;-2.9469,-5.249,-.3186;-1.6024,-5.0799,-1.9884;-3.6888,-4.5432,.6183;-4.2979,-2.6348,1.4019;-2.9583,-6.3392,-.3094;-4.4093,-5.2176,1.5189; 0.000000 1.691393 0.000000 1.546128 1.456152 0.000000 2.184125 2.196203 1.097002 0.000000 2.296277 2.177785 1.092122 1.848708 0.000000 1.542842 1.460267 2.264510 2.617445 3.247839 0.000000 2.291738 2.197103 3.254313 3.706473 4.140390 1.092995 0.000000 2.186710 2.193635 2.616000 2.492482 3.702711 1.096692 1.841661 0.000000 1.338058 2.898077 2.640630 3.281886 3.028399 2.641013 3.024351 3.290548 0.000000 2.113813 3.560634 2.946864 3.576900 2.979756 3.597292 4.076906 4.188990 1.091002 0.000000 2.114591 3.569215 3.599356 4.180370 4.081955 2.952779 2.979227 3.589068 1.090987 1.875286 0.000000 2.832292 1.474953 2.614281 3.503480 2.826918 2.619424 2.857116 3.501047 3.707021 4.264067 4.277397 0.000000 3.653108 2.042781 3.263355 3.930715 3.566749 3.038419 3.206406 3.716927 4.676471 5.299247 5.197680 1.114389 0.000000 3.056867 2.129110 3.351129 4.281842 3.621703 2.768346 2.592802 3.791047 3.651359 4.309329 3.964005 1.106308 1.773347 0.000000 3.397062 2.350527 2.825742 3.792662 2.478702 3.703048 4.093055 4.543317 4.062018 4.277207 4.810383 1.382666 2.082824 2.086329 0.000000 4.739857 3.647936 4.239005 5.179226 3.814910 4.928272 5.128562 5.805907 5.281151 5.451575 5.923997 2.354626 2.665593 2.692901 1.416762 0.000000 5.292692 4.344278 4.621519 5.523839 3.957994 5.702556 6.022661 6.536596 5.747593 5.718734 6.487804 3.244077 3.604501 3.683272 2.002441 1.098269 0.000000 5.312605 3.953693 4.700828 5.518823 4.405248 5.218770 5.387671 6.001076 6.034721 6.316697 6.656936 2.625462 2.450060 3.048408 2.076569 1.103944 1.781433 0.000000 5.153267 4.320852 5.084112 6.119034 4.763008 5.329094 5.249617 6.339764 5.417375 5.630042 5.827762 2.953452 3.389382 2.678594 2.437180 1.511498 2.158093 2.158851 0.000000 5.011378 4.640995 5.199330 6.291479 4.814891 5.492669 5.393441 6.558468 4.922550 4.980149 5.247061 3.536199 4.281362 3.096097 2.978102 2.519489 2.852688 3.430934 1.400663 0.000000 6.139207 5.173957 6.160441 7.151469 5.977088 6.031582 5.753952 7.023721 6.452848 6.799717 6.717028 3.730697 3.846602 3.267819 3.564359 2.535169 3.237317 2.624466 1.396703 2.409957 0.000000 5.892646 5.693052 6.337069 7.430621 6.044484 6.313658 6.014652 7.408060 5.600310 5.689858 5.680803 4.628544 5.330292 3.938198 4.297560 3.806200 4.163609 4.586100 2.428449 1.390906 2.791636 0.000000 4.537661 4.407109 4.668442 5.753488 4.150388 5.302321 5.377368 6.329038 4.332917 4.194215 4.788928 3.559404 4.470805 3.323799 2.797313 2.714361 2.803621 3.782595 2.159681 1.091737 3.399951 2.149929 0.000000 6.891917 6.146061 7.159370 8.183990 7.018093 6.799613 6.351207 7.834582 7.000152 7.352648 7.077889 4.786917 4.992120 4.083376 4.730881 3.819654 4.439166 4.016897 2.428558 2.792208 1.394525 2.429593 3.883944 0.000000 6.564279 5.367102 6.430151 7.335680 6.299446 6.264249 6.009645 7.168268 7.063734 7.477308 7.373292 3.902097 3.702846 3.608301 3.835902 2.746317 3.476165 2.370780 2.158934 3.402469 1.092026 3.883641 4.305486 2.150464 0.000000 6.762985 6.348971 7.213138 8.284870 7.023035 6.906981 6.453537 7.990468 6.604532 6.846421 6.592916 5.140219 5.610033 4.346628 5.000486 4.288691 4.784072 4.792743 2.777281 2.392743 2.392650 1.391059 3.383755 1.387876 3.381647 0.000000 6.165286 6.248254 6.746332 7.831890 6.430977 6.755379 6.460232 7.841713 5.637700 5.605623 5.625910 5.360137 6.172326 4.660899 5.012087 4.689719 4.939696 5.559295 3.425080 2.171258 3.881741 1.090314 2.500586 3.408691 4.973699 2.151073 0.000000 7.780724 6.962011 8.067009 9.059135 7.987021 7.539163 7.002397 8.538909 7.931934 8.349602 7.944284 5.597153 5.646634 4.873203 5.657468 4.707140 5.345910 4.714779 3.423964 3.882261 2.173726 3.409895 4.973980 1.090235 2.498617 2.149317 4.294788 0.000000 7.775810 7.498081 8.373806 9.441630 8.223689 7.905659 7.343974 8.985236 7.481910 7.724139 7.316675 6.359078 6.825864 5.480245 6.298595 5.624742 6.094943 6.105607 4.113349 3.609255 3.611193 2.349452 4.494614 2.348605 4.494290 1.336070 2.587855 2.589608 0.000000 1.1417639 0.2908202 0.2622709 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.012,.0844,.8523;1.4462,-.8839,-.4513;1.2079,.5474,-.6042;2.0948,1.1893,-.6895;.3415,.8532,-1.1947;2.185,-.9121,.8097;2.1446,-1.819,1.4191;3.1484,-.3868,.8223;-.0463,.1733,1.6741;-.8788,.841,1.4408;-.0623,-.3678,2.6227;.6375,-1.9763,-1.0269;1.3686,-2.5605,-1.6311;.2917,-2.6569,-.2253;-.3927,-1.4585,-1.7923;-1.2803,-2.4306,-2.31;-1.94,-1.8777,-2.9937;-.7308,-3.1785,-2.9081;-2.0901,-3.117,-1.2325;-2.6553,-2.3617,-.1967;-2.2987,-4.4983,-1.2549;-3.4209,-2.9687,.7942;-2.4853,-1.2829,-.1617;-3.072,-5.1223,-.2757;-1.8504,-5.1031,-2.0474;-3.6208,-4.344,.7346;-3.8657,-2.3919,1.6069;-3.243,-6.1999,-.2842;-4.3579,-4.9329,1.6818; 0.000000 1.680980 0.000000 1.540871 1.459095 0.000000 2.184167 2.185314 1.098051 0.000000 2.287141 2.188787 1.092235 1.855315 0.000000 1.539749 1.461782 2.254786 2.582968 3.245412 0.000000 2.286279 2.204735 3.251375 3.674102 4.150236 1.093421 0.000000 2.187965 2.183277 2.583244 2.424864 3.672183 1.097351 1.847978 0.000000 1.342821 2.804090 2.627509 3.347105 2.973685 2.627559 2.972271 3.353385 0.000000 2.119813 3.458460 2.936412 3.674440 2.904305 3.585843 4.026993 4.255337 1.092342 0.000000 2.119647 3.462938 3.586685 4.248362 4.028250 2.938335 2.902594 3.681080 1.092216 1.877415 0.000000 2.813915 1.475988 2.621724 3.501210 2.849961 2.626824 2.877321 3.500054 3.519112 4.040524 4.049313 0.000000 3.645546 2.051532 3.277138 3.933798 3.591523 3.056340 3.233579 3.729847 4.516682 5.104640 4.995076 1.113917 0.000000 3.032271 2.127800 3.354254 4.273169 3.641902 2.774911 2.615218 3.796243 3.425229 4.047328 3.671031 1.106987 1.773568 0.000000 3.368651 2.347343 2.828005 3.796659 2.498083 3.703194 4.108690 4.530364 3.846986 3.997130 4.559788 1.383990 2.083879 2.088109 0.000000 4.645472 3.644319 4.239148 5.207810 3.828595 4.903781 5.100070 5.796742 4.917023 4.993344 5.483713 2.351820 2.737629 2.620798 1.414539 0.000000 5.230279 4.349435 4.636870 5.567313 3.987424 5.693313 6.013357 6.532710 5.438911 5.308713 6.111479 3.243730 3.642750 3.640304 2.003278 1.099250 0.000000 5.274926 4.005059 4.790589 5.655441 4.510076 5.240312 5.370426 6.062843 5.718451 5.923803 6.240003 2.618546 2.533841 2.918110 2.077919 1.104076 1.778060 0.000000 4.921148 4.254635 4.969872 6.029234 4.655806 5.225708 5.162155 6.254370 4.842691 4.927388 5.150974 2.963640 3.525759 2.626548 2.438232 1.512562 2.158797 2.158497 0.000000 4.531312 4.367042 4.853233 5.951106 4.506939 5.151969 5.093566 6.214609 4.090683 4.011843 4.318433 3.417669 4.276541 2.961856 2.912212 2.522151 2.927297 3.423794 1.400956 0.000000 6.033356 5.266247 6.178922 7.209054 5.967647 6.101337 5.837049 7.133658 5.956207 6.147399 6.090828 3.877314 4.164796 3.340749 3.627909 2.534850 3.165400 2.633088 1.397135 2.410760 0.000000 5.382844 5.439338 5.978701 7.064904 5.719983 5.971268 5.717255 7.058498 4.694121 4.625375 4.624775 4.557644 5.384078 3.862614 4.259180 3.808888 4.210889 4.581231 2.429092 1.391576 2.792451 0.000000 3.889584 3.962330 4.145633 5.231417 3.690669 4.784675 4.921640 5.788780 3.382304 3.108059 3.802851 3.313858 4.317894 3.098970 2.658724 2.717457 2.944740 3.770199 2.160235 1.092668 3.401243 2.151929 0.000000 6.712719 6.197478 7.111367 8.167171 6.942842 6.822007 6.402876 7.894518 6.403162 6.581570 6.329656 4.921585 5.302734 4.170725 4.785580 3.820110 4.381343 4.023532 2.429132 2.792937 1.395039 2.429895 3.885583 0.000000 6.596293 5.587147 6.585183 7.549971 6.403838 6.481622 6.225872 7.447543 6.704104 6.960117 6.886956 4.124054 4.123112 3.727236 3.933542 2.745150 3.362547 2.387108 2.160100 3.404081 1.093055 3.885437 4.307262 2.152073 0.000000 6.409944 6.249288 7.002562 8.081696 6.814222 6.744721 6.331192 7.841504 5.836664 5.907775 5.660257 5.180982 5.802775 4.367534 5.013216 4.290542 4.775830 4.793755 2.778181 2.393578 2.393738 1.391082 3.385723 1.388398 3.383789 0.000000 5.522078 5.892949 6.266643 7.322982 6.006697 6.279855 6.040454 7.337134 4.601450 4.404686 4.426644 5.233421 6.157202 4.550907 4.948491 4.693369 5.013813 5.552599 3.426438 2.172329 3.883536 1.091290 2.502650 3.410093 4.976461 2.152065 0.000000 7.673929 7.090607 8.089534 9.124524 7.963973 7.656435 7.149811 8.710136 7.394109 7.624945 7.251288 5.783525 6.027175 5.005048 5.734084 4.707821 5.265088 4.724934 3.425354 3.883943 2.174764 3.411109 4.976564 1.091193 2.500241 2.150622 4.297059 0.000000 7.395739 7.391381 8.138733 9.205534 7.989881 7.728984 7.214403 8.817599 6.683121 6.745398 6.338608 6.405708 7.028308 5.516867 6.313795 5.627404 6.086174 6.107479 4.115076 3.610952 3.612975 2.350350 4.497518 2.349766 4.497050 1.336896 2.589286 2.591067 0.000000 1.1303878 0.3165399 0.2764647 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.9793,.0131,.878;1.4375,-.8967,-.4662;1.1717,.5356,-.5597;2.0457,1.1979,-.6142;.3034,.8495,-1.1435;2.165,-.9661,.8032;2.1345,-1.8989,1.3726;3.1212,-.4294,.8468;-.0771,.0779,1.7048;-.9101,.7515,1.4913;-.0925,-.4928,2.6361;.6623,-1.9791,-1.1024;1.4143,-2.5047,-1.7347;.3399,-2.7136,-.3403;-.3833,-1.4551,-1.8418;-1.2867,-2.424,-2.3414;-1.947,-1.8725,-3.0252;-.7489,-3.1841,-2.9348;-2.0906,-3.0873,-1.2455;-2.7042,-2.3053,-.2583;-2.236,-4.4761,-1.1947;-3.4505,-2.8932,.7586;-2.5932,-1.2187,-.2843;-2.9887,-5.0822,-.1888;-1.7537,-5.1012,-1.9506;-3.5831,-4.2777,.7741;-3.9324,-2.2947,1.5336;-3.1096,-6.1656,-.1404;-4.3007,-4.849,1.7462; 0.000000 1.686541 0.000000 1.541747 1.459707 0.000000 2.183457 2.186068 1.097920 0.000000 2.289727 2.189557 1.092391 1.853922 0.000000 1.539464 1.464728 2.258089 2.589560 3.248280 0.000000 2.287942 2.207207 3.253878 3.680426 4.151842 1.093356 0.000000 2.187316 2.185698 2.590358 2.437045 3.679250 1.097436 1.846539 0.000000 1.343093 2.820828 2.626219 3.337431 2.975374 2.632391 2.984799 3.350034 0.000000 2.119311 3.472697 2.930398 3.656388 2.902440 3.588804 4.038346 4.249879 1.092368 0.000000 2.120357 3.482649 3.587378 4.242053 4.030381 2.946181 2.921170 3.678862 1.092362 1.878103 0.000000 2.826846 1.475567 2.622499 3.499299 2.851581 2.629757 2.880953 3.499629 3.557807 4.081124 4.093360 0.000000 3.654382 2.048258 3.268448 3.919586 3.582536 3.061371 3.246786 3.726237 4.552375 5.139331 5.042112 1.114290 0.000000 3.054134 2.126441 3.361133 4.276008 3.652740 2.773478 2.611197 3.789775 3.485477 4.113901 3.738757 1.106475 1.772666 0.000000 3.377771 2.349316 2.832738 3.800644 2.504076 3.705225 4.107189 4.534547 3.875809 4.031856 4.589391 1.383640 2.084334 2.088438 0.000000 4.630197 3.642842 4.239954 5.215910 3.831370 4.891641 5.076889 5.794213 4.908596 4.991515 5.471014 2.351925 2.769446 2.595089 1.415825 0.000000 5.230068 4.353792 4.647989 5.584043 4.001832 5.690916 6.000049 6.539254 5.447308 5.325315 6.115018 3.242962 3.655586 3.625802 2.004971 1.098947 0.000000 5.267421 4.013272 4.813054 5.691756 4.537197 5.232852 5.340400 6.071783 5.711155 5.924934 6.221685 2.607881 2.565354 2.852798 2.077925 1.104095 1.778739 0.000000 4.852444 4.225363 4.923247 5.989171 4.608739 5.177527 5.110641 6.213332 4.772523 4.860065 5.078529 2.971009 3.586481 2.620425 2.436117 1.512385 2.159537 2.159422 0.000000 4.498258 4.379618 4.814987 5.912719 4.447723 5.160316 5.122291 6.218973 4.053978 3.952689 4.299272 3.485960 4.379651 3.072470 2.935474 2.522493 2.901113 3.429155 1.400966 0.000000 5.898070 5.180517 6.093675 7.131898 5.900331 5.973325 5.686355 7.017385 5.814348 6.024983 5.927644 3.826715 4.183627 3.236041 3.602517 2.535271 3.195810 2.628482 1.397321 2.410070 0.000000 5.299445 5.420242 5.904174 6.987808 5.631837 5.937125 5.705970 7.018969 4.593711 4.502655 4.534662 4.605869 5.480333 3.950632 4.270620 3.809558 4.197553 4.585280 2.429771 1.391632 2.792186 0.000000 3.953658 4.047649 4.162693 5.240998 3.661436 4.887409 5.055638 5.878541 3.459560 3.141237 3.912749 3.441727 4.451669 3.292601 2.713907 2.718704 2.890890 3.780087 2.160611 1.092572 3.401039 2.150920 0.000000 6.545644 6.098124 7.000456 8.060127 6.850927 6.669875 6.230484 7.749371 6.220104 6.416816 6.118123 4.877892 5.331025 4.088175 4.762028 3.820611 4.408247 4.019984 2.429598 2.792307 1.394890 2.429606 3.884879 0.000000 6.451832 5.483171 6.501225 7.476599 6.347801 6.327612 6.034633 7.308636 6.557108 6.841958 6.710851 4.037823 4.101765 3.560483 3.896700 2.745635 3.408354 2.377760 2.160185 3.403592 1.093060 3.885196 4.307562 2.151641 0.000000 6.264014 6.178718 6.896037 7.974519 6.713479 6.633899 6.221609 7.730687 5.668304 5.740422 5.475189 5.179603 5.866151 4.367916 5.004902 4.291428 4.784998 4.794221 2.779112 2.393448 2.393750 1.390997 3.384913 1.388404 3.383600 0.000000 5.466338 5.898269 6.200347 7.249039 5.915637 6.283043 6.081923 7.328355 4.530090 4.291302 4.382612 5.306505 6.270003 4.683989 4.969338 4.693860 4.990221 5.558064 3.426954 2.172411 3.883276 1.091286 2.501192 3.409914 4.976233 2.152038 0.000000 7.478832 6.967367 7.963139 9.001250 7.865567 7.466402 6.927855 8.526583 7.182068 7.439538 6.999546 5.716613 6.034052 4.884237 5.702349 4.708224 5.301350 4.719226 3.425714 3.883307 2.174625 3.410801 4.975858 1.091181 2.499633 2.150498 4.296895 0.000000 7.230016 7.310497 8.016168 9.078196 7.875397 7.600799 7.089086 8.684929 6.489621 6.551883 6.121951 6.401765 7.090428 5.518090 6.303890 5.627977 6.096371 6.107317 4.115673 3.610716 3.612604 2.350238 4.496423 2.349468 4.496366 1.336561 2.589496 2.590660 0.000000 1.0937994 0.3256952 0.2832897 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7774,-.195,.9098;1.3942,-.8994,-.4958;.9822,.5026,-.4502;1.7795,1.2536,-.3808;.1157,.7908,-1.05;2.0575,-1.0462,.8052;2.0931,-2.0375,1.2645;2.9512,-.4311,.9705;-.3111,-.2963,1.6916;-1.1881,.3276,1.5041;-.3163,-.9592,2.56;.7735,-1.9716,-1.2978;1.6027,-2.3325,-1.9483;.5078,-2.8224,-.6433;-.2984,-1.4781,-2.0214;-1.2277,-2.4666,-2.4281;-1.8971,-1.9581,-3.1358;-.7172,-3.2788,-2.9744;-2.0106,-3.0268,-1.2609;-2.5649,-2.1599,-.3102;-2.1895,-4.4038,-1.1035;-3.2794,-2.6523,.7781;-2.4363,-1.0811,-.4239;-2.9121,-4.9149,-.0256;-1.7568,-5.0949,-1.8313;-3.4431,-4.0278,.9013;-3.7132,-1.9862,1.5257;-3.0572,-5.9882,.1064;-4.1292,-4.5086,1.9422; 0.000000 1.688941 0.000000 1.542172 1.462030 0.000000 2.183659 2.190270 1.097517 0.000000 2.291416 2.190563 1.092542 1.852133 0.000000 1.540871 1.467687 2.265180 2.602442 3.253753 0.000000 2.291675 2.209624 3.259847 3.692815 4.155292 1.093193 0.000000 2.187409 2.189418 2.601331 2.456974 3.689881 1.097384 1.844881 0.000000 1.343948 2.838405 2.626457 3.326811 2.980023 2.637883 2.999011 3.343711 0.000000 2.118784 3.489044 2.925771 3.635510 2.904834 3.593011 4.051782 4.241878 1.092484 0.000000 2.122058 3.502445 3.589464 4.235210 4.035012 2.953283 2.940363 3.671721 1.092493 1.879037 0.000000 2.833684 1.475812 2.623669 3.500726 2.850408 2.632044 2.882878 3.501533 3.594305 4.121199 4.134539 0.000000 3.663182 2.051073 3.266051 3.917749 3.573904 3.072996 3.263409 3.735450 4.588815 5.175249 5.088471 1.113993 0.000000 3.063945 2.122535 3.364181 4.277820 3.657044 2.766697 2.601676 3.780573 3.535941 4.172425 3.796165 1.105769 1.772509 0.000000 3.375726 2.350986 2.834003 3.804133 2.502535 3.704926 4.102354 4.539527 3.896527 4.059675 4.610672 1.384236 2.085499 2.087173 0.000000 4.508084 3.614525 4.196727 5.203434 3.783497 4.823413 4.984752 5.758283 4.745800 4.824061 5.289997 2.351112 2.873915 2.514843 1.416493 0.000000 5.160261 4.350077 4.643030 5.605597 3.994744 5.657056 5.940606 6.534478 5.346071 5.220669 5.994857 3.242015 3.714663 3.569788 2.007051 1.098864 0.000000 5.179862 4.032760 4.853723 5.788219 4.578030 5.193222 5.235208 6.093393 5.552627 5.769275 6.014188 2.596569 2.707446 2.672719 2.079966 1.103907 1.778320 0.000000 4.528135 4.087044 4.697967 5.784609 4.374894 4.974084 4.918998 6.027962 4.365896 4.424206 4.663102 2.977559 3.743003 2.601070 2.430772 1.512963 2.161101 2.161576 0.000000 4.064512 4.159088 4.437420 5.525512 4.054596 4.883820 4.918485 5.920839 3.543988 3.372676 3.838726 3.486476 4.481252 3.160891 2.920657 2.523420 2.910436 3.429832 1.400922 0.000000 5.528983 5.049059 5.878710 6.948506 5.683346 5.740579 5.435735 6.819883 5.311487 5.494342 5.366048 3.838307 4.402786 3.160419 3.602614 2.536189 3.193342 2.633212 1.397431 2.409357 0.000000 4.744794 5.151508 5.442740 6.495516 5.169491 5.573453 5.429349 6.617466 3.898191 3.712184 3.849877 4.604145 5.600863 4.048686 4.254683 3.810968 4.208456 4.586760 2.430544 1.391871 2.792057 0.000000 3.590521 3.835534 3.767660 4.819357 3.226297 4.659053 4.927562 5.602856 3.099634 2.694360 3.662343 3.443763 4.494795 3.427525 2.698233 2.719812 2.900736 3.780246 2.160469 1.092378 3.400412 2.150378 0.000000 6.063344 5.906682 6.685404 7.758043 6.539978 6.352491 5.915642 7.448111 5.571772 5.726709 5.391674 4.885107 5.545073 4.056533 4.756688 3.821362 4.409777 4.023626 2.429678 2.791280 1.394638 2.428997 3.883638 0.000000 6.159937 5.414289 6.382926 7.410357 6.225600 6.155695 5.809741 7.194906 6.125926 6.391508 6.201749 4.054871 4.350915 3.421151 3.904454 2.746632 3.400210 2.384515 2.160272 3.403063 1.092998 3.885007 4.307336 2.151142 0.000000 5.701165 5.927796 6.475729 7.537467 6.300172 6.257556 5.894283 7.336797 4.935402 4.941460 4.684487 5.181086 6.037729 4.410056 4.993292 4.293066 4.792956 4.797179 2.780175 2.393356 2.394145 1.390706 3.384223 1.388545 3.383687 0.000000 4.873712 5.599426 5.669708 6.655924 5.385823 5.891046 5.812352 6.865895 3.802302 3.424949 3.696380 5.301194 6.359808 4.818763 4.949902 4.694839 5.002909 5.558609 3.427417 2.172450 3.883150 1.091276 2.500148 3.409622 4.976049 2.151982 0.000000 6.993625 6.787752 7.665341 8.722117 7.573617 7.146523 6.593503 8.229776 6.515471 6.733218 6.230807 5.725285 6.268984 4.826366 5.699140 4.708758 5.300955 4.723155 3.425628 3.882249 2.174202 3.410109 4.974586 1.091145 2.498731 2.150334 4.296610 0.000000 6.614184 7.034078 7.547337 8.573926 7.419986 7.180338 6.729197 8.228139 5.690679 5.677188 5.245740 6.400777 7.261236 5.570441 6.290426 5.629198 6.105210 6.109610 4.116322 3.610628 3.612401 2.350134 4.495750 2.349227 4.495692 1.336150 2.590122 2.590118 0.000000 1.0321357 0.3671368 0.3083525 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6922,-.3474,.9356;1.36,-.9108,-.5111;.8596,.4577,-.3668;1.6068,1.2513,-.2393;-.0201,.7329,-.9536;2.0234,-1.1114,.7802;2.1173,-2.1293,1.1674;2.8754,-.4558,1.0005;-.3818,-.5755,1.7107;-1.2954,.0088,1.5786;-.3399,-1.3031,2.5244;.8123,-1.9594,-1.3939;1.6724,-2.2455,-2.0407;.5725,-2.8564,-.7939;-.2652,-1.4782,-2.1188;-1.2087,-2.4723,-2.482;-1.8789,-1.9843,-3.2028;-.711,-3.3105,-2.9996;-1.9825,-2.9732,-1.2827;-2.5855,-2.056,-.4119;-2.0929,-4.3383,-1.0051;-3.2776,-2.4859,.7163;-2.5178,-.9866,-.6243;-2.7912,-4.7886,.1151;-1.6243,-5.0678,-1.6704;-3.369,-3.8519,.9615;-3.7495,-1.7798,1.4015;-2.8821,-5.8521,.3413;-4.0318,-4.2735,2.042; 0.000000 1.689948 0.000000 1.540290 1.464203 0.000000 2.184663 2.192987 1.097461 0.000000 2.289813 2.191293 1.092591 1.850889 0.000000 1.542678 1.465469 2.265424 2.606733 3.253127 0.000000 2.293439 2.208072 3.260135 3.697011 4.154390 1.093141 0.000000 2.186837 2.188186 2.601447 2.461790 3.689838 1.097374 1.844786 0.000000 1.343963 2.842920 2.631454 3.330783 2.990163 2.633977 2.992492 3.335823 0.000000 2.119152 3.501870 2.937693 3.642982 2.926226 3.592555 4.048096 4.236173 1.092474 0.000000 2.122009 3.501032 3.591430 4.237073 4.042744 2.943494 2.926074 3.657639 1.092376 1.878437 0.000000 2.835364 1.476150 2.626690 3.503256 2.852166 2.629147 2.879597 3.500020 3.602729 4.141509 4.136554 0.000000 3.663521 2.053990 3.281723 3.934030 3.593974 3.060465 3.240825 3.728090 4.591444 5.195081 5.077095 1.113520 0.000000 3.049605 2.117883 3.353787 4.272013 3.641317 2.761789 2.600262 3.779609 3.519399 4.162602 3.775688 1.105480 1.771251 0.000000 3.394746 2.355418 2.842927 3.806189 2.511276 3.711614 4.110855 4.542945 3.936180 4.116234 4.647042 1.384917 2.085462 2.087230 0.000000 4.450656 3.594613 4.163738 5.179002 3.744575 4.789607 4.949554 5.733569 4.675540 4.759442 5.213970 2.351929 2.923546 2.483998 1.417870 0.000000 5.139605 4.346046 4.637357 5.603690 3.987077 5.643893 5.923584 6.527383 5.326186 5.212928 5.969273 3.242718 3.745749 3.545833 2.008777 1.098538 0.000000 5.121894 4.029915 4.857688 5.813855 4.583860 5.157431 5.172786 6.083706 5.456675 5.684995 5.889043 2.593060 2.781049 2.592052 2.081271 1.103701 1.778809 0.000000 4.355402 4.002671 4.548366 5.640800 4.206495 4.875340 4.850087 5.928687 4.155964 4.189515 4.469994 2.975099 3.802966 2.604014 2.425559 1.512650 2.162282 2.162915 0.000000 3.934274 4.109543 4.264923 5.342652 3.827893 4.853400 4.961475 5.863200 3.399153 3.144920 3.772461 3.538197 4.562745 3.280231 2.937869 2.520728 2.879759 3.432693 1.401117 0.000000 5.239266 4.890221 5.667979 6.746678 5.478648 5.526647 5.227332 6.616632 4.945953 5.119494 4.974160 3.774973 4.430531 3.057007 3.572207 2.538672 3.227475 2.635117 1.397324 2.408997 0.000000 4.514443 5.049189 5.191733 6.223927 4.874467 5.476632 5.425428 6.485435 3.608910 3.300971 3.646599 4.632219 5.671085 4.152288 4.257670 3.809175 4.191310 4.590783 2.431210 1.391673 2.792529 0.000000 3.625687 3.880140 3.682248 4.708394 3.050199 4.755014 5.098992 5.657540 3.191198 2.708886 3.841499 3.553595 4.598756 3.615910 2.747604 2.715143 2.837598 3.782426 2.160236 1.092348 3.399854 2.149949 0.000000 5.703601 5.715041 6.409683 7.479861 6.269581 6.094597 5.680853 7.187964 5.108981 5.234000 4.895058 4.823546 5.571204 3.984271 4.725411 3.822894 4.438988 4.026570 2.429665 2.790544 1.394746 2.429103 3.882827 0.000000 5.868534 5.247050 6.196844 7.240157 6.060989 5.913086 5.539638 6.975089 5.758234 6.036312 5.780887 3.959310 4.355605 3.238086 3.864432 2.751078 3.452737 2.385228 2.160090 3.402759 1.092892 3.885383 4.306845 2.151161 0.000000 5.364232 5.760339 6.182050 7.227931 5.991886 6.051500 5.754017 7.108219 4.496621 4.425591 4.256023 5.158741 6.083510 4.428099 4.975540 4.292773 4.800972 4.800858 2.780417 2.392773 2.394293 1.390830 3.383621 1.388417 3.383678 0.000000 4.690152 5.524466 5.420066 6.369474 5.076292 5.844574 5.881866 6.767783 3.589951 3.041955 3.621231 5.353185 6.439132 4.965761 4.962226 4.692199 4.973924 5.562810 3.428021 2.172484 3.883538 1.091190 2.499999 3.409689 4.976344 2.152175 0.000000 6.590120 6.567956 7.369854 8.422890 7.295824 6.835951 6.287689 7.918496 5.997440 6.196670 5.649869 5.640250 6.278904 4.711411 5.659573 4.711072 5.341014 4.725978 3.425516 3.881406 2.174232 3.410000 4.973665 1.091039 2.498777 2.149971 4.296453 0.000000 6.241366 6.848175 7.218913 8.217188 7.080364 6.946701 6.570700 7.960464 5.206548 5.103076 4.762966 6.373868 7.302006 5.590240 6.270036 5.628600 6.114172 6.113343 4.116304 3.609845 3.612300 2.349866 4.494986 2.348937 4.495434 1.335891 2.590070 2.589608 0.000000 0.9967730 0.3941289 0.3264628 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6927,-.3679,.9305;1.3635,-.9364,-.5029;.8996,.4421,-.3613;1.6671,1.2143,-.2222;.032,.7391,-.9551;2.0126,-1.1554,.7875;2.0781,-2.1773,1.1707;2.8726,-.5162,1.0238;-.4023,-.594,1.6749;-1.2995,.0137,1.5406;-.3918,-1.3364,2.4759;.7926,-1.9743,-1.3872;1.651,-2.2886,-2.0215;.5208,-2.8583,-.7828;-.2603,-1.4706,-2.1344;-1.2418,-2.4305,-2.4938;-1.9187,-1.9015,-3.178;-.7837,-3.2654,-3.0513;-1.9924,-2.9477,-1.2883;-2.6501,-2.0424,-.4438;-2.0205,-4.3078,-.9713;-3.3235,-2.4814,.6916;-2.6359,-.9757,-.6812;-2.6952,-4.7677,.1602;-1.5053,-5.0258,-1.6142;-3.3338,-3.8439,.9754;-3.8419,-1.7867,1.3544;-2.722,-5.8277,.4172;-3.9774,-4.2724,2.0647; 0.000000 1.681578 0.000000 1.538719 1.461382 0.000000 2.186675 2.190110 1.097620 0.000000 2.284176 2.187392 1.092463 1.853826 0.000000 1.543640 1.461024 2.260731 2.598936 3.247915 0.000000 2.291491 2.202601 3.255366 3.689445 4.148621 1.093322 0.000000 2.186928 2.187426 2.594201 2.449578 3.682532 1.097223 1.847135 0.000000 1.343220 2.824510 2.629530 3.339359 2.980377 2.633320 2.985513 3.339873 0.000000 2.118219 3.488610 2.938866 3.653762 2.920275 3.592263 4.042976 4.237263 1.091951 0.000000 2.121921 3.480562 3.588968 4.245610 4.032289 2.943587 2.917367 3.665736 1.092222 1.876567 0.000000 2.821683 1.478188 2.627322 3.505574 2.850875 2.624597 2.869958 3.502183 3.564963 4.111100 4.090597 0.000000 3.649874 2.053587 3.282947 3.938023 3.595179 3.050502 3.222581 3.729264 4.555316 5.166753 5.030551 1.112711 0.000000 3.027677 2.117076 3.348702 4.267818 3.634526 2.755226 2.589425 3.778878 3.466876 4.118311 3.710534 1.104809 1.770965 0.000000 3.393740 2.363002 2.854413 3.818417 2.521695 3.715265 4.109882 4.549735 3.911383 4.097444 4.614092 1.385819 2.082077 2.088653 0.000000 4.440962 3.603255 4.169512 5.187152 3.746504 4.794203 4.951221 5.741625 4.631978 4.717446 5.159196 2.360385 2.934578 2.493468 1.419097 0.000000 5.104017 4.342873 4.622660 5.594932 3.964727 5.633644 5.912897 6.521589 5.249709 5.130018 5.883653 3.250174 3.772374 3.550221 2.006294 1.098306 0.000000 5.140977 4.065576 4.880069 5.837644 4.592947 5.196947 5.215302 6.126419 5.442275 5.666091 5.867221 2.630769 2.818273 2.648324 2.082270 1.103496 1.778957 0.000000 4.334492 3.990499 4.551213 5.643656 4.219179 4.854039 4.817603 5.909825 4.104676 4.153636 4.396236 2.951870 3.774510 2.565137 2.428535 1.511375 2.161285 2.161073 0.000000 3.983306 4.163592 4.333556 5.412356 3.897662 4.903464 4.998067 5.914651 3.411615 3.160642 3.758018 3.570241 4.587985 3.291710 2.982633 2.517240 2.833855 3.431942 1.401851 0.000000 5.147904 4.799672 5.608962 6.682303 5.448291 5.412698 5.091756 6.503757 4.838714 5.050281 4.833736 3.678521 4.319735 2.931703 3.535568 2.539376 3.266508 2.634833 1.396823 2.409708 0.000000 4.544652 5.077558 5.243091 6.276925 4.933841 5.499256 5.431326 6.508753 3.614235 3.323142 3.617949 4.639012 5.669562 4.134555 4.288448 3.805607 4.157325 4.590652 2.430806 1.391134 2.792600 0.000000 3.747882 4.003588 3.822597 4.850058 3.183294 4.878391 5.205345 5.784637 3.268917 2.775153 3.890161 3.640104 4.679578 3.676919 2.828497 2.710297 2.757822 3.780343 2.161345 1.092910 3.400866 2.150471 0.000000 5.606185 5.620610 6.351115 7.413539 6.245526 5.967048 5.524075 7.058386 4.997141 5.168737 4.737252 4.728859 5.458517 3.857169 4.697289 3.823460 4.467914 4.027960 2.429939 2.791851 1.395415 2.429891 3.884757 0.000000 5.744824 5.117458 6.103426 7.137328 6.002680 5.755396 5.358257 6.816288 5.628134 5.949184 5.619665 3.826729 4.197727 3.081353 3.802640 2.752995 3.518269 2.384337 2.159253 3.403157 1.092853 3.885419 4.307298 2.151969 0.000000 5.319562 5.718713 6.170792 7.213152 6.004982 5.987331 5.666114 7.042416 4.432304 4.397683 4.146642 5.109249 6.020728 4.349822 4.974890 4.290630 4.798561 4.801218 2.779679 2.393125 2.393668 1.391786 3.384993 1.387722 3.383235 0.000000 4.770211 5.591797 5.512932 6.468430 5.169167 5.915662 5.935687 6.841586 3.654569 3.120852 3.655589 5.387904 6.466891 4.974843 5.009889 4.688655 4.924862 5.563184 3.428112 2.172362 3.883614 1.091216 2.501114 3.409964 4.976390 2.152709 0.000000 6.460074 6.439091 7.282303 8.322407 7.251894 6.662117 6.077329 7.738130 5.861236 6.116176 5.462540 5.518729 6.131508 4.557729 5.617283 4.712266 5.383826 4.727817 3.425655 3.882622 2.174882 3.410926 4.975509 1.090951 2.499938 2.149681 4.296776 0.000000 6.191993 6.800417 7.203914 8.197179 7.092887 6.872163 6.469712 7.881236 5.144274 5.080967 4.652426 6.320506 7.232637 5.508299 6.268824 5.626318 6.111039 6.114440 4.115445 3.609265 3.612192 2.349554 4.495264 2.348690 4.495877 1.335768 2.588747 2.590210 0.000000 0.9905618 0.3979105 0.3314597 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.681,-.3658,.9228;1.3654,-.9333,-.5023;.9024,.4462,-.3648;1.6702,1.2167,-.2172;.0418,.7455,-.9677;2.0024,-1.154,.7933;2.0627,-2.1762,1.1765;2.8596,-.5151,1.0399;-.4221,-.5955,1.6541;-1.3172,.0138,1.513;-.4208,-1.3404,2.4528;.7986,-1.9709,-1.3899;1.6576,-2.2792,-2.0263;.5323,-2.8576,-.7877;-.2583,-1.4703,-2.134;-1.2386,-2.4324,-2.4905;-1.9174,-1.9058,-3.1747;-.78,-3.2671,-3.0476;-1.9878,-2.9493,-1.2834;-2.629,-2.0426,-.428;-2.0322,-4.3116,-.977;-3.2993,-2.4814,.7095;-2.6065,-.9752,-.6606;-2.7055,-4.7714,.1554;-1.5312,-5.0316,-1.6289;-3.3255,-3.8457,.9828;-3.8041,-1.7854,1.3815;-2.7453,-5.8329,.4038;-3.9668,-4.2743,2.0734; 0.000000 1.679720 0.000000 1.538359 1.461554 0.000000 2.186847 2.190043 1.097615 0.000000 2.284217 2.187849 1.092567 1.853851 0.000000 1.544046 1.460569 2.260941 2.598336 3.248563 0.000000 2.291553 2.202226 3.255647 3.688904 4.149503 1.093366 0.000000 2.186821 2.187666 2.593785 2.448241 3.682294 1.097116 1.847378 0.000000 1.343267 2.821255 2.629790 3.341139 2.981153 2.632706 2.983542 3.339640 0.000000 2.117858 3.486397 2.939464 3.655835 2.921709 3.591872 4.041501 4.236653 1.091931 0.000000 2.122358 3.476869 3.589138 4.247262 4.032942 2.942803 2.914652 3.665761 1.092165 1.876348 0.000000 2.817610 1.478396 2.627544 3.506460 2.851336 2.623523 2.868200 3.502926 3.556432 4.104039 4.080520 0.000000 3.648618 2.054149 3.280041 3.936244 3.588952 3.055401 3.229998 3.736074 4.550382 5.160886 5.026260 1.112612 0.000000 3.026028 2.116224 3.351255 4.268431 3.640816 2.750068 2.581542 3.773991 3.462729 4.118134 3.702779 1.104468 1.770628 0.000000 3.383240 2.363700 2.854890 3.822703 2.521985 3.712145 4.104257 4.550496 3.891245 4.077329 4.591451 1.386149 2.082479 2.088584 0.000000 4.427895 3.602882 4.170000 5.190801 3.749363 4.787661 4.940766 5.738836 4.606362 4.692362 5.128051 2.361060 2.937171 2.493295 1.419017 0.000000 5.090497 4.343292 4.623739 5.600658 3.967246 5.628110 5.903235 6.520462 5.222113 5.100988 5.850498 3.250683 3.773499 3.550414 2.006335 1.098365 0.000000 5.129989 4.065478 4.880263 5.841148 4.593810 5.192316 5.207177 6.125987 5.419634 5.643849 5.839166 2.630668 2.821533 2.645274 2.082160 1.103407 1.778555 0.000000 4.320248 3.989778 4.552690 5.645605 4.227395 4.843330 4.801669 5.900850 4.076910 4.129166 4.359299 2.955160 3.780223 2.570087 2.429362 1.511745 2.161214 2.161537 0.000000 3.948695 4.146178 4.320776 5.399049 3.898453 4.871421 4.960294 5.883179 3.361495 3.117240 3.697058 3.560745 4.580978 3.284411 2.976172 2.517683 2.840656 3.432285 1.401759 0.000000 5.151700 4.814761 5.623500 6.696744 5.465914 5.420566 5.095687 6.512320 4.829581 5.041891 4.815399 3.696358 4.341256 2.954119 3.543716 2.540013 3.260550 2.635619 1.397047 2.409540 0.000000 4.512639 5.062057 5.232592 6.263395 4.938545 5.465977 5.390981 6.473553 3.567516 3.286387 3.553414 4.632648 5.665407 4.130914 4.284297 3.806421 4.162731 4.591363 2.431227 1.391382 2.792762 0.000000 3.699412 3.975185 3.797382 4.825976 3.173061 4.836028 5.159345 5.742856 3.205175 2.713789 3.821458 3.621909 4.663497 3.662208 2.815990 2.709842 2.767994 3.779862 2.160560 1.092728 3.400280 2.150830 0.000000 5.609450 5.633406 6.364808 7.425712 6.264565 5.971298 5.523899 7.061691 4.989792 5.164126 4.719043 4.744398 5.477891 3.877527 4.703850 3.823962 4.463408 4.028578 2.430032 2.791456 1.395327 2.429703 3.884160 0.000000 5.759733 5.143489 6.125908 7.161147 6.023835 5.778346 5.379581 6.841020 5.629158 5.947561 5.614076 3.853970 4.231095 3.113216 3.815455 2.753813 3.508479 2.385459 2.159558 3.403109 1.092850 3.885577 4.306798 2.151804 0.000000 5.307063 5.717697 6.173501 7.212755 6.018505 5.972225 5.644270 7.025006 4.409539 4.382893 4.107860 5.114033 6.028306 4.358196 4.976363 4.291419 4.799082 4.801997 2.780099 2.393062 2.393901 1.391596 3.384924 1.387816 3.383360 0.000000 4.726710 5.567619 5.493773 6.444835 5.168676 5.870276 5.883448 6.792272 3.595585 3.072312 3.576725 5.375908 6.456583 4.965835 5.003003 4.689591 4.932822 5.563972 3.428604 2.172867 3.883781 1.091225 2.502147 3.409715 4.976550 2.152359 0.000000 6.472849 6.459508 7.302342 8.341348 7.274932 6.677174 6.089814 7.752280 5.864378 6.119913 5.457461 5.540060 6.157962 4.584229 5.626489 4.712785 5.377149 4.728474 3.425749 3.882220 2.174762 3.410636 4.974910 1.090944 2.499663 2.149597 4.296353 0.000000 6.180725 6.799138 7.206745 8.195844 7.107392 6.856059 6.446807 7.861170 5.125800 5.071631 4.617961 6.325281 7.240293 5.516752 6.270272 5.627082 6.111643 6.115141 4.115842 3.609302 3.612334 2.349436 4.495449 2.348792 4.495842 1.335745 2.588354 2.590088 0.000000 0.9942521 0.3987802 0.3318502 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7027,-.3375,.9234;1.3708,-.93,-.5009;.9209,.4549,-.3775;1.6966,1.2202,-.2455;.0584,.7544,-.9775;2.0153,-1.1396,.7936;2.0696,-2.1572,1.1896;2.8806,-.5058,1.0243;-.3964,-.5446,1.6671;-1.2873,.0702,1.5233;-.3954,-1.2775,2.477;.79,-1.9731,-1.3723;1.6433,-2.2963,-2.0092;.5186,-2.8508,-.7588;-.2658,-1.4712,-2.1166;-1.2413,-2.4342,-2.4828;-1.9186,-1.9059,-3.1674;-.7774,-3.2644,-3.0426;-1.9951,-2.9606,-1.2828;-2.634,-2.0606,-.4188;-2.0479,-4.3262,-.993;-3.3113,-2.5094,.7107;-2.6029,-.9904,-.6371;-2.7282,-4.7958,.1311;-1.5482,-5.041,-1.6516;-3.3466,-3.8767,.9671;-3.8145,-1.8185,1.389;-2.7748,-5.86,.3666;-3.9948,-4.315,2.0498; 0.000000 1.681030 0.000000 1.538709 1.461431 0.000000 2.186417 2.189727 1.097621 0.000000 2.284858 2.187926 1.092543 1.853774 0.000000 1.543711 1.461082 2.260844 2.598044 3.248577 0.000000 2.291466 2.202744 3.255564 3.688617 4.149592 1.093363 0.000000 2.186740 2.187581 2.593897 2.448113 3.682404 1.097162 1.847276 0.000000 1.343212 2.823452 2.629605 3.339692 2.981345 2.633134 2.984929 3.339738 0.000000 2.118098 3.487591 2.938903 3.654449 2.921137 3.592097 4.042475 4.237047 1.091957 0.000000 2.122077 3.479611 3.589107 4.245802 4.033337 2.943515 2.916756 3.665836 1.092204 1.876479 0.000000 2.820080 1.478105 2.627226 3.505577 2.851431 2.624304 2.869605 3.502472 3.561763 4.107858 4.087242 0.000000 3.649884 2.053322 3.279323 3.934428 3.589360 3.054819 3.230101 3.733502 4.554591 5.164033 5.031880 1.112772 0.000000 3.029872 2.117074 3.351856 4.268961 3.641031 2.752800 2.585116 3.775884 3.469976 4.123253 3.712232 1.104642 1.770799 0.000000 3.385995 2.362665 2.853617 3.820481 2.521170 3.712493 4.105627 4.549441 3.897771 4.082703 4.599503 1.385891 2.082542 2.088605 0.000000 4.447203 3.607488 4.177907 5.195360 3.758015 4.797517 4.952358 5.745339 4.637530 4.724732 5.162661 2.360521 2.926453 2.498653 1.418810 0.000000 5.105452 4.345482 4.628204 5.601784 3.972617 5.634897 5.912095 6.524050 5.248142 5.128938 5.879952 3.250164 3.765771 3.554496 2.006202 1.098406 0.000000 5.146479 4.065046 4.880631 5.835767 4.594998 5.199048 5.219494 6.126228 5.451943 5.676821 5.878681 2.629468 2.804444 2.658316 2.081954 1.103465 1.778561 0.000000 4.361893 4.007997 4.581331 5.673080 4.255754 4.869348 4.824953 5.926336 4.134603 4.190551 4.419013 2.956300 3.769162 2.570115 2.429799 1.511738 2.160995 2.161409 0.000000 3.987995 4.162150 4.355116 5.435804 3.935179 4.892214 4.971927 5.908547 3.414085 3.182038 3.742951 3.555331 4.569468 3.267868 2.972956 2.517851 2.844421 3.432221 1.401686 0.000000 5.210413 4.843972 5.661466 6.733727 5.499971 5.464069 5.140272 6.554063 4.909603 5.122337 4.905711 3.706009 4.333354 2.969680 3.548162 2.539677 3.256171 2.634841 1.397025 2.409578 0.000000 4.568927 5.087712 5.280459 6.316945 4.985743 5.500552 5.413673 6.515618 3.643067 3.378047 3.624899 4.631088 5.656077 4.116361 4.283315 3.806477 4.164544 4.591017 2.431064 1.391347 2.792743 0.000000 3.713300 3.976529 3.817556 4.850364 3.200443 4.837029 5.150826 5.750162 3.221337 2.742811 3.827925 3.608035 4.649538 3.635909 2.807527 2.710206 2.776452 3.780137 2.160563 1.092720 3.400332 2.150784 0.000000 5.681160 5.669708 6.414429 7.477515 6.308656 6.025571 5.576878 7.117666 5.086179 5.262322 4.829437 4.754488 5.471557 3.888057 4.708347 3.823700 4.459488 4.027767 2.429933 2.791486 1.395305 2.429711 3.884192 0.000000 5.815520 5.171577 6.158361 7.190893 6.051664 5.822248 5.429320 6.880656 5.705967 6.022618 5.704194 3.867442 4.224548 3.141050 3.821543 2.753278 3.501951 2.384401 2.159563 3.403127 1.092859 3.885567 4.306826 2.151830 0.000000 5.378204 5.752571 6.227579 7.272074 6.068197 6.022611 5.686956 7.081311 4.505152 4.486398 4.212476 5.119353 6.021217 4.355624 4.978695 4.291334 4.797679 4.801397 2.779960 2.393053 2.393906 1.391575 3.384898 1.387858 3.383407 0.000000 4.776530 5.590027 5.541905 6.502096 5.217215 5.899290 5.897209 6.832333 3.658301 3.157760 3.628530 5.371203 6.446979 4.945174 5.000347 4.689554 4.935903 5.563588 3.428340 2.172641 3.883773 1.091230 2.501786 3.409850 4.976551 2.152516 0.000000 6.549908 6.499489 7.354616 8.396287 7.320135 6.738654 6.152723 7.815629 5.966677 6.222326 5.578009 5.553304 6.153341 4.600950 5.632332 4.712467 5.371923 4.727532 3.425677 3.882265 2.174747 3.410667 4.974956 1.090959 2.499700 2.149663 4.296561 0.000000 6.257442 6.837635 7.266866 8.264274 7.161793 6.912446 6.494027 7.926713 5.225890 5.180415 4.729047 6.331560 7.234500 5.513887 6.273067 5.627068 6.110106 6.114531 4.115763 3.609375 3.612360 2.349532 4.495505 2.348827 4.495905 1.335804 2.588745 2.590114 0.000000 0.9977066 0.3928964 0.3278008 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6895,-.3548,.924;1.3668,-.9318,-.5021;.9074,.4492,-.3696;1.6775,1.2185,-.2289;.0451,.7476,-.9705;2.0078,-1.1475,.7929;2.0672,-2.1679,1.1811;2.868,-.5099,1.0322;-.411,-.5749,1.6621;-1.305,.0358,1.5204;-.4083,-1.3144,2.4659;.7956,-1.9721,-1.3834;1.653,-2.2858,-2.0195;.5274,-2.8554,-.7769;-.2607,-1.4715,-2.1281;-1.239,-2.4341,-2.488;-1.9173,-1.9071,-3.1726;-.7784,-3.2674,-3.0457;-1.9901,-2.9541,-1.2835;-2.6295,-2.0496,-.4245;-2.0391,-4.3178,-.9838;-3.3033,-2.4919,.7096;-2.602,-.9809,-.6509;-2.7158,-4.781,.1451;-1.5391,-5.036,-1.6384;-3.3346,-3.8575,.9759;-3.8069,-1.7974,1.384;-2.7593,-5.8436,.3883;-3.9793,-4.2895,2.0631; 0.000000 1.680921 0.000000 1.538624 1.461476 0.000000 2.186520 2.189813 1.097623 0.000000 2.284673 2.187866 1.092553 1.853820 0.000000 1.543852 1.460978 2.260924 2.598302 3.248564 0.000000 2.291604 2.202641 3.255627 3.688874 4.149509 1.093370 0.000000 2.186712 2.187633 2.594004 2.448449 3.682500 1.097154 1.847290 0.000000 1.343232 2.823444 2.629620 3.339810 2.981267 2.633217 2.985006 3.339561 0.000000 2.118069 3.487918 2.938998 3.654351 2.921335 3.592229 4.042679 4.236733 1.091964 0.000000 2.122156 3.479473 3.589112 4.246025 4.033187 2.943571 2.916765 3.665691 1.092204 1.876457 0.000000 2.819725 1.478187 2.627320 3.505787 2.851330 2.624082 2.869186 3.502582 3.561346 4.108102 4.086491 0.000000 3.649808 2.053663 3.279965 3.935353 3.589816 3.054726 3.229481 3.734045 4.554271 5.164364 5.031073 1.112711 0.000000 3.028554 2.116642 3.351223 4.268486 3.640271 2.751875 2.584073 3.775271 3.468427 4.122469 3.710272 1.104587 1.770727 0.000000 3.385998 2.363006 2.854056 3.820951 2.521417 3.712598 4.105501 4.549821 3.897730 4.083429 4.599084 1.385966 2.082548 2.088601 0.000000 4.436667 3.604277 4.172295 5.191479 3.751625 4.791817 4.946140 5.741250 4.622298 4.708759 5.146339 2.360762 2.933443 2.495121 1.418927 0.000000 5.097752 4.343726 4.624706 5.599806 3.968321 5.631050 5.907548 6.521626 5.236291 5.116159 5.866983 3.250389 3.770877 3.551794 2.006254 1.098388 0.000000 5.137712 4.065270 4.880184 5.838586 4.593924 5.195368 5.212724 6.126116 5.435823 5.660244 5.859115 2.630295 2.815682 2.649995 2.082134 1.103440 1.778565 0.000000 4.336999 3.996141 4.562170 5.654632 4.235876 4.853741 4.811902 5.910849 4.102566 4.155891 4.387342 2.955442 3.776308 2.569898 2.429534 1.511731 2.161108 2.161461 0.000000 3.963114 4.150408 4.330890 5.410122 3.908425 4.878578 4.964991 5.891965 3.383874 3.144240 3.718679 3.557643 4.575960 3.277141 2.974525 2.517774 2.842511 3.432265 1.401736 0.000000 5.175871 4.826650 5.637629 6.710705 5.477363 5.439191 5.115727 6.530230 4.864228 5.075845 4.855949 3.700995 4.339680 2.961119 3.545910 2.539805 3.258334 2.635173 1.397016 2.409563 0.000000 4.533853 5.070736 5.248353 6.281513 4.952699 5.479309 5.400949 6.489853 3.598359 3.322758 3.585024 4.631646 5.661748 4.125090 4.283866 3.806437 4.163501 4.591181 2.431140 1.391340 2.792768 0.000000 3.702159 3.971891 3.800020 4.830115 3.177577 4.833479 5.154276 5.742425 3.211773 2.725935 3.825931 3.614214 4.656230 3.650035 2.811496 2.710040 2.772366 3.780026 2.160581 1.092726 3.400311 2.150778 0.000000 5.638559 5.648212 6.383345 7.445480 6.279481 5.994531 5.547868 7.085773 5.030363 5.204212 4.767363 4.749333 5.477004 3.882817 4.706145 3.823806 4.461362 4.028134 2.429964 2.791459 1.395330 2.429712 3.884169 0.000000 5.783223 5.155526 6.138609 7.173033 6.033690 5.797605 5.401950 6.858594 5.662803 5.979695 5.654574 3.860503 4.230625 3.125316 3.818397 2.753486 3.505246 2.384834 2.159537 3.403118 1.092855 3.885588 4.306811 2.151848 0.000000 5.335188 5.731225 6.192912 7.234541 6.034670 5.993222 5.663594 7.048527 4.448989 4.424216 4.153331 5.116605 6.026488 4.357930 4.977634 4.291363 4.798236 4.801677 2.780020 2.393044 2.393920 1.391597 3.384899 1.387834 3.383409 0.000000 4.744492 5.574404 5.508816 6.463473 5.182538 5.880715 5.889299 6.807061 3.619994 3.104707 3.599199 5.373276 6.452333 4.957332 5.001670 4.689498 4.934126 5.563726 3.428428 2.172666 3.883797 1.091231 2.501822 3.409840 4.976572 2.152525 0.000000 6.504404 6.476313 7.322432 8.362990 7.290694 6.703896 6.118365 7.780070 5.907276 6.161525 5.509697 5.546609 6.158213 4.592306 5.629458 4.712600 5.374463 4.727957 3.425697 3.882236 2.174765 3.410664 4.974931 1.090956 2.499716 2.149633 4.296542 0.000000 6.211018 6.814334 7.228635 8.221401 7.125361 6.879774 6.468361 7.888862 5.166419 5.114208 4.665324 6.328410 7.239148 5.516592 6.271818 5.627059 6.110693 6.114810 4.115788 3.609323 3.612357 2.349498 4.495463 2.348800 4.495896 1.335770 2.588692 2.590094 0.000000 0.9951752 0.3964991 0.3301867 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6809,-.3659,.9244;1.3639,-.9333,-.5027;.8988,.4454,-.3645;1.6655,1.217,-.2184;.0366,.7431,-.966;2.0026,-1.1529,.7927;2.0651,-2.175,1.1759;2.8596,-.5131,1.0375;-.4204,-.594,1.6589;-1.3161,.0148,1.5189;-.417,-1.3378,2.4587;.7988,-1.9715,-1.3903;1.6588,-2.2794,-2.0256;.5323,-2.8584,-.7883;-.2575,-1.4717,-2.1356;-1.2378,-2.4339,-2.4915;-1.9166,-1.9076,-3.1761;-.7794,-3.2691,-3.0482;-1.987,-2.95,-1.2842;-2.6267,-2.0426,-.4285;-2.0332,-4.3123,-.9781;-3.2979,-2.4807,.7088;-2.6017,-.975,-.6601;-2.7073,-4.7713,.1541;-1.5329,-5.0327,-1.6301;-3.3263,-3.845,.9816;-3.8018,-1.7839,1.3806;-2.7485,-5.8329,.4024;-3.9684,-4.273,2.0719; 0.000000 1.680828 0.000000 1.538505 1.461548 0.000000 2.186620 2.189910 1.097625 0.000000 2.284438 2.187840 1.092565 1.853865 0.000000 1.543970 1.460883 2.260987 2.598558 3.248534 0.000000 2.291743 2.202548 3.255683 3.689128 4.149423 1.093374 0.000000 2.186671 2.187657 2.594069 2.448751 3.682558 1.097147 1.847297 0.000000 1.343251 2.823397 2.629577 3.339941 2.981067 2.633273 2.985071 3.339415 0.000000 2.118017 3.488237 2.939025 3.654214 2.921411 3.592317 4.042876 4.236390 1.091954 0.000000 2.122234 3.479266 3.589060 4.246278 4.032908 2.943596 2.916737 3.665615 1.092204 1.876424 0.000000 2.819580 1.478256 2.627496 3.505970 2.851381 2.623903 2.868862 3.502619 3.561164 4.108683 4.085919 0.000000 3.649743 2.053850 3.280455 3.935916 3.590271 3.054489 3.228874 3.734206 4.554070 5.164917 5.030384 1.112667 0.000000 3.027860 2.116418 3.350947 4.268292 3.639857 2.751325 2.583423 3.774918 3.467569 4.122457 3.708946 1.104556 1.770653 0.000000 3.386314 2.363312 2.854614 3.821400 2.521894 3.712766 4.105491 4.550142 3.898108 4.084755 4.599022 1.386010 2.082478 2.088625 0.000000 4.430199 3.602256 4.168861 5.189039 3.747687 4.788247 4.942251 5.738664 4.612965 4.699500 5.136117 2.360944 2.937892 2.492950 1.419009 0.000000 5.092906 4.342571 4.622500 5.598475 3.965590 5.628572 5.904640 6.520036 5.228864 5.108658 5.858659 3.250573 3.774288 3.550103 2.006285 1.098374 0.000000 5.132488 4.065600 4.880098 5.840433 4.593395 5.193255 5.208715 6.126197 5.426031 5.650641 5.846972 2.631091 2.823058 2.645120 2.082252 1.103426 1.778577 0.000000 4.321242 3.988315 4.549945 5.642809 4.223217 4.843587 4.803341 5.900741 4.082499 4.134862 4.367295 2.954537 3.780394 2.569369 2.429314 1.511709 2.161192 2.161490 0.000000 3.947347 4.142600 4.315413 5.393744 3.891320 4.869663 4.960272 5.881184 3.364987 3.121290 3.703381 3.558673 4.579583 3.282502 2.975473 2.517622 2.841095 3.432223 1.401751 0.000000 5.153559 4.814941 5.622067 6.695573 5.462708 5.422620 5.099304 6.514263 4.835302 5.046992 4.823977 3.697130 4.342851 2.954923 3.544260 2.539925 3.259946 2.635478 1.397008 2.409551 0.000000 4.511036 5.059130 5.227405 6.258481 4.931228 5.464976 5.391946 6.472632 3.569631 3.288052 3.559188 4.631225 5.664480 4.129731 4.284015 3.806325 4.162759 4.591258 2.431174 1.391330 2.792793 0.000000 3.695479 3.968908 3.789137 4.817553 3.163215 4.831328 5.156472 5.737661 3.206333 2.716630 3.825043 3.617913 4.660223 3.658674 2.814065 2.709760 2.769341 3.779796 2.160557 1.092722 3.400276 2.150774 0.000000 5.610739 5.633507 6.362871 7.424320 6.260410 5.973594 5.528094 7.064216 4.994410 5.167661 4.727088 4.745128 5.479338 3.878433 4.704445 3.823879 4.462770 4.028454 2.429970 2.791434 1.395344 2.429722 3.884138 0.000000 5.762386 5.144689 6.125673 7.161162 6.022021 5.781219 5.383784 6.843755 5.635333 5.953114 5.622749 3.855511 4.233689 3.114717 3.816177 2.753701 3.507682 2.385266 2.159522 3.403108 1.092855 3.885613 4.306772 2.151868 0.000000 5.307011 5.716566 6.170096 7.209872 6.012752 5.973301 5.647381 7.026388 4.412665 4.384902 4.114774 5.113892 6.028712 4.358290 4.976666 4.291335 4.798677 4.801886 2.780037 2.393026 2.393930 1.391614 3.384891 1.387825 3.383419 0.000000 4.723626 5.563691 5.487250 6.438448 5.160006 5.868129 5.883399 6.790209 3.595359 3.071309 3.580146 5.373850 6.454899 4.964190 5.002329 4.689351 4.932828 5.563760 3.428468 2.172672 3.883827 1.091235 2.501844 3.409854 4.976601 2.152550 0.000000 6.474599 6.460414 7.301136 8.340863 7.271378 6.680382 6.094946 7.755922 5.868934 6.123159 5.465311 5.541360 6.160062 4.585718 5.627294 4.712711 5.376368 4.728347 3.425697 3.882209 2.174773 3.410673 4.974899 1.090955 2.499734 2.149622 4.296555 0.000000 6.180450 6.798249 7.203369 8.193131 7.101462 6.857492 6.450376 7.863180 5.127770 5.072078 4.623580 6.325331 7.240826 5.517103 6.270687 5.627004 6.111166 6.115024 4.115782 3.609279 3.612351 2.349478 4.495434 2.348780 4.495894 1.335746 2.588685 2.590083 0.000000 0.9934164 0.3989136 0.3317781 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6877,-.3559,.9238;1.3662,-.932,-.5021;.9062,.4488,-.3693;1.6759,1.2184,-.2278;.0441,.747,-.9706;2.0064,-1.148,.7933;2.0659,-2.1686,1.181;2.8662,-.5102,1.0335;-.4132,-.5767,1.6611;-1.3071,.0341,1.5192;-.4109,-1.3165,2.4645;.796,-1.9721,-1.3842;1.6539,-2.2853,-2.0199;.5278,-2.8558,-.7782;-.26,-1.4717,-2.1293;-1.2387,-2.4342,-2.4885;-1.9172,-1.9073,-3.173;-.7786,-3.2677,-3.0462;-1.9893,-2.9537,-1.2835;-2.6275,-2.0488,-.4241;-2.039,-4.3173,-.9838;-3.3009,-2.4907,.7105;-2.5994,-.9801,-.6505;-2.7153,-4.7801,.1456;-1.5399,-5.0359,-1.6387;-3.3329,-3.8562,.9768;-3.8035,-1.7958,1.3852;-2.7593,-5.8427,.3888;-3.9772,-4.2877,2.0644; 0.000000 1.680885 0.000000 1.538594 1.461497 0.000000 2.186558 2.189856 1.097624 0.000000 2.284575 2.187849 1.092557 1.853850 0.000000 1.543874 1.460954 2.260966 2.598433 3.248554 0.000000 2.291629 2.202613 3.255656 3.689002 4.149458 1.093371 0.000000 2.186704 2.187642 2.594071 2.448631 3.682560 1.097152 1.847291 0.000000 1.343238 2.823440 2.629585 3.339817 2.981125 2.633238 2.985038 3.339526 0.000000 2.118030 3.487975 2.938913 3.654194 2.921191 3.592235 4.042738 4.236615 1.091964 0.000000 2.122181 3.479460 3.589091 4.246081 4.033035 2.943607 2.916811 3.665680 1.092202 1.876470 0.000000 2.819676 1.478191 2.627347 3.505823 2.851303 2.624016 2.869074 3.502568 3.561331 4.108275 4.086421 0.000000 3.649793 2.053694 3.280013 3.935421 3.589819 3.054711 3.229426 3.734099 4.554279 5.164522 5.031044 1.112704 0.000000 3.028486 2.116620 3.351230 4.268506 3.640216 2.751743 2.583872 3.775167 3.468408 4.122698 3.710176 1.104585 1.770716 0.000000 3.385931 2.363026 2.854103 3.821000 2.521410 3.712551 4.105383 4.549845 3.897654 4.083579 4.598927 1.385970 2.082547 2.088589 0.000000 4.435546 3.603917 4.171730 5.191080 3.750949 4.791147 4.945354 5.740775 4.620719 4.707334 5.144580 2.360759 2.934114 2.494724 1.418923 0.000000 5.096612 4.343441 4.624166 5.599457 3.967623 5.630447 5.906818 6.521244 5.234578 5.114474 5.865081 3.250424 3.771585 3.551448 2.006246 1.098390 0.000000 5.137079 4.065498 4.880243 5.838929 4.593778 5.195267 5.212366 6.126348 5.434537 5.659050 5.857525 2.630633 2.816985 2.649609 2.082161 1.103441 1.778565 0.000000 4.334442 3.994718 4.560377 5.652893 4.234172 4.851751 4.809911 5.908924 4.099437 4.153054 4.383998 2.954975 3.776535 2.569240 2.429501 1.511735 2.161138 2.161448 0.000000 3.958939 4.147682 4.327573 5.406697 3.905462 4.875094 4.961739 5.888334 3.379102 3.139768 3.713953 3.556441 4.575261 3.276099 2.974218 2.517772 2.842757 3.432251 1.401741 0.000000 5.173672 4.825766 5.636288 6.709427 5.476028 5.437637 5.114089 6.528758 4.861222 5.073053 4.852470 3.701037 4.340541 2.960904 3.546090 2.539807 3.258172 2.635155 1.397007 2.409563 0.000000 4.528961 5.067689 5.244580 6.277403 4.949484 5.475106 5.396976 6.485304 3.592484 3.317162 3.578717 4.630433 5.660973 4.124097 4.283630 3.806437 4.163687 4.591163 2.431142 1.391340 2.792772 0.000000 3.697700 3.968710 3.796055 4.826019 3.173900 4.829716 5.150918 5.738408 3.207141 2.721427 3.821762 3.612651 4.655014 3.648834 2.810925 2.710005 2.772758 3.779987 2.160569 1.092724 3.400298 2.150793 0.000000 5.635567 5.646756 6.381333 7.443378 6.277640 5.992154 5.545443 7.083310 5.026478 5.200622 4.762780 4.749112 5.477504 3.882508 4.706273 3.823809 4.461250 4.028117 2.429956 2.791455 1.395334 2.429709 3.884162 0.000000 5.781942 5.155498 6.138119 7.172736 6.033009 5.797075 5.401285 6.858270 5.660635 5.977589 5.651942 3.861085 4.232210 3.125492 3.818712 2.753484 3.504964 2.384815 2.159525 3.403115 1.092854 3.885589 4.306789 2.151856 0.000000 5.331035 5.728826 6.189866 7.231205 6.032056 5.989644 5.660078 7.044657 4.443891 4.419520 4.147410 5.115838 6.026269 4.357260 4.977591 4.291366 4.798270 4.801658 2.780019 2.393044 2.393924 1.391599 3.384908 1.387831 3.383412 0.000000 4.738927 5.570855 5.504356 6.458441 5.178820 5.875833 5.884790 6.801583 3.613442 3.098147 3.592283 5.371821 6.451174 4.956242 5.001349 4.689504 4.934391 5.563715 3.428437 2.172673 3.883803 1.091232 2.501857 3.409835 4.976575 2.152522 0.000000 6.501770 6.475209 7.320740 8.361231 7.289097 6.701903 6.116310 7.777994 5.903727 6.158188 5.505411 5.546634 6.159019 4.592222 5.629666 4.712603 5.374288 4.727939 3.425688 3.882231 2.174767 3.410661 4.974924 1.090956 2.499724 2.149629 4.296534 0.000000 6.206597 6.811747 7.225315 8.217629 7.122570 6.875834 6.464516 7.884437 5.161115 5.109304 4.659036 6.327596 7.238819 5.515955 6.271771 5.627060 6.110726 6.114788 4.115785 3.609320 3.612361 2.349495 4.495473 2.348799 4.495901 1.335768 2.588679 2.590093 0.000000 0.9950268 0.3968893 0.3304121 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6882,-.354,.9232;1.3666,-.9321,-.5018;.9083,.4494,-.3704;1.6789,1.2182,-.2293;.0468,.7482,-.9723;2.0061,-1.1478,.7939;2.0641,-2.1681,1.1826;2.8665,-.5108,1.034;-.4133,-.5731,1.66;-1.3064,.0387,1.5174;-.4122,-1.3125,2.4639;.7954,-1.9723,-1.3831;1.6528,-2.2865,-2.0188;.5266,-2.8554,-.7765;-.2605,-1.4714,-2.1282;-1.2391,-2.4339,-2.488;-1.9176,-1.9065,-3.1721;-.7789,-3.267,-3.0463;-1.9896,-2.9543,-1.2832;-2.627,-2.0499,-.4227;-2.0399,-4.3181,-.985;-3.3002,-2.4926,.7116;-2.5984,-.981,-.648;-2.7162,-4.7817,.144;-1.5413,-5.0363,-1.6408;-3.3329,-3.8584,.9765;-3.8023,-1.7982,1.3873;-2.7607,-5.8446,.3862;-3.9771,-4.2908,2.0639; 0.000000 1.680777 0.000000 1.538561 1.461525 0.000000 2.186573 2.189874 1.097621 0.000000 2.284509 2.187870 1.092557 1.853870 0.000000 1.543898 1.460936 2.260994 2.598440 3.248575 0.000000 2.291626 2.202594 3.255682 3.689010 4.149471 1.093373 0.000000 2.186722 2.187640 2.594062 2.448601 3.682550 1.097148 1.847317 0.000000 1.343252 2.823196 2.629570 3.339949 2.981024 2.633202 2.984892 3.339592 0.000000 2.118034 3.487835 2.938943 3.654344 2.921157 3.592226 4.042637 4.236654 1.091960 0.000000 2.122187 3.479138 3.589051 4.246199 4.032914 2.943509 2.916549 3.665737 1.092199 1.876464 0.000000 2.819450 1.478178 2.627365 3.505864 2.851324 2.623940 2.868961 3.502557 3.560758 4.107854 4.085687 0.000000 3.649738 2.053717 3.279823 3.935271 3.589433 3.055020 3.229923 3.734443 4.553945 5.164178 5.030694 1.112707 0.000000 3.028528 2.116630 3.351479 4.268632 3.640634 2.751522 2.583471 3.774925 3.468212 4.122794 3.709673 1.104587 1.770719 0.000000 3.385220 2.362980 2.854054 3.821168 2.521346 3.712284 4.104968 4.549786 3.896259 4.082255 4.597329 1.385967 2.082576 2.088551 0.000000 4.435806 3.604157 4.172354 5.191701 3.751793 4.791239 4.945203 5.740934 4.620602 4.707530 5.144102 2.360680 2.933407 2.494912 1.418908 0.000000 5.096273 4.343527 4.624448 5.599901 3.968032 5.630306 5.906440 6.521271 5.233553 5.113566 5.863700 3.250391 3.771241 3.551543 2.006236 1.098393 0.000000 5.137553 4.065600 4.880398 5.838894 4.593942 5.195575 5.212830 6.126485 5.435032 5.659745 5.857995 2.630696 2.816007 2.650604 2.082175 1.103446 1.778571 0.000000 4.335970 3.995496 4.562454 5.654907 4.236925 4.852147 4.809474 5.909463 4.100907 4.155498 4.384559 2.954677 3.775421 2.568590 2.429484 1.511743 2.161161 2.161434 0.000000 3.959587 4.147882 4.329828 5.409105 3.909000 4.874372 4.959616 5.888078 3.379199 3.141633 3.712284 3.555428 4.573896 3.274017 2.973840 2.517764 2.843064 3.432229 1.401743 0.000000 5.176755 4.827354 5.639087 6.712051 5.479233 5.439289 5.115121 6.530337 4.864916 5.077608 4.855730 3.701388 4.339619 2.961430 3.546386 2.539819 3.257921 2.635142 1.396998 2.409561 0.000000 4.530597 5.068238 5.247624 6.280656 4.953838 5.474678 5.394753 6.485366 3.594195 3.321418 3.578177 4.629500 5.659518 4.121935 4.283352 3.806433 4.163911 4.591138 2.431142 1.391340 2.792771 0.000000 3.696496 3.968080 3.797396 4.827779 3.176864 4.827910 5.147810 5.737244 3.204406 2.719929 3.817470 3.611215 4.653666 3.646303 2.810231 2.709972 2.773273 3.779950 2.160557 1.092714 3.400281 2.150793 0.000000 5.639344 5.648533 6.384840 7.446800 6.281709 5.993948 5.546245 7.085133 5.031300 5.206725 4.767108 4.749296 5.476467 3.882453 4.706512 3.823820 4.461056 4.028104 2.429949 2.791450 1.395338 2.429703 3.884147 0.000000 5.785227 5.157296 6.140632 7.174989 6.035628 5.799318 5.403435 6.860268 5.664583 5.982017 5.655924 3.861932 4.231595 3.127229 3.819186 2.753495 3.504551 2.384806 2.159511 3.403108 1.092849 3.885584 4.306765 2.151860 0.000000 5.334201 5.730138 6.193474 7.234898 6.036600 5.990477 5.659326 7.045769 4.447983 4.425647 4.150208 5.115456 6.024973 4.356006 4.977590 4.291373 4.798279 4.801640 2.780017 2.393046 2.393929 1.391599 3.384905 1.387828 3.383414 0.000000 4.739822 5.571031 5.507303 6.461803 5.183322 5.874700 5.881616 6.801093 3.613919 3.101647 3.589862 5.370618 6.449644 4.953624 5.000948 4.689505 4.934727 5.563694 3.428443 2.172682 3.883801 1.091232 2.501880 3.409822 4.976569 2.152510 0.000000 6.506177 6.477320 7.324485 8.364876 7.293248 6.704341 6.117987 7.780383 5.909422 6.164996 5.511057 5.547106 6.158131 4.592728 5.630023 4.712618 5.374002 4.727930 3.425680 3.882227 2.174770 3.410655 4.974910 1.090956 2.499733 2.149623 4.296518 0.000000 6.210111 6.813162 7.229262 8.221777 7.127482 6.876777 6.463699 7.885715 5.165771 5.116196 4.662469 6.327206 7.237503 5.514636 6.271775 5.627067 6.110732 6.114770 4.115784 3.609321 3.612368 2.349495 4.495472 2.348801 4.495907 1.335769 2.588659 2.590092 0.000000 0.9954013 0.3966434 0.3302562 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6878,-.3546,.9232;1.3665,-.9324,-.5018;.908,.4491,-.3701;1.6786,1.2179,-.2286;.0466,.748,-.9721;2.0057,-1.1484,.794;2.0636,-2.1689,1.1823;2.866,-.5115,1.0344;-.4139,-.574,1.6598;-1.3069,.038,1.5174;-.413,-1.3137,2.4634;.7954,-1.9723,-1.3835;1.653,-2.2863,-2.0192;.5266,-2.8556,-.7771;-.2604,-1.4714,-2.1286;-1.2392,-2.4337,-2.4882;-1.9178,-1.9063,-3.1722;-.7792,-3.2668,-3.0466;-1.9895,-2.954,-1.2834;-2.6272,-2.0495,-.4231;-2.0393,-4.3177,-.9846;-3.3001,-2.492,.7115;-2.5991,-.9807,-.6488;-2.7152,-4.7812,.1447;-1.5405,-5.0359,-1.6401;-3.3323,-3.8577,.9769;-3.8024,-1.7975,1.3869;-2.7593,-5.8439,.3873;-3.9762,-4.2899,2.0645; 0.000000 1.680778 0.000000 1.538540 1.461537 0.000000 2.186580 2.189880 1.097622 0.000000 2.284475 2.187870 1.092558 1.853877 0.000000 1.543922 1.460916 2.260998 2.598465 3.248567 0.000000 2.291652 2.202577 3.255684 3.689035 4.149455 1.093374 0.000000 2.186709 2.187635 2.594057 2.448622 3.682545 1.097147 1.847323 0.000000 1.343252 2.823233 2.629579 3.339957 2.981036 2.633210 2.984904 3.339536 0.000000 2.118033 3.487976 2.938999 3.654326 2.921270 3.592254 4.042685 4.236567 1.091960 0.000000 2.122184 3.479122 3.589043 4.246210 4.032903 2.943482 2.916513 3.665664 1.092199 1.876461 0.000000 2.819455 1.478181 2.627397 3.505882 2.851352 2.623898 2.868899 3.502541 3.560832 4.108125 4.085675 0.000000 3.649741 2.053709 3.279822 3.935246 3.589422 3.054989 3.229898 3.734438 4.554014 5.164419 5.030694 1.112706 0.000000 3.028541 2.116612 3.351511 4.268639 3.640687 2.751427 2.583331 3.774840 3.468322 4.123130 3.709679 1.104584 1.770711 0.000000 3.385237 2.363016 2.854152 3.821264 2.521451 3.712271 4.104907 4.549814 3.896333 4.082578 4.597304 1.385967 2.082565 2.088557 0.000000 4.435469 3.604068 4.172257 5.191660 3.751704 4.791006 4.944895 5.740784 4.620180 4.707363 5.143537 2.360696 2.933661 2.494802 1.418921 0.000000 5.095945 4.343468 4.624378 5.599904 3.967955 5.630108 5.906161 6.521166 5.233107 5.113343 5.863113 3.250408 3.771478 3.551447 2.006238 1.098391 0.000000 5.137350 4.065679 4.880483 5.839068 4.594008 5.195491 5.212619 6.126533 5.434678 5.659624 5.857445 2.630800 2.816464 2.650439 2.082184 1.103445 1.778577 0.000000 4.335105 3.995017 4.561888 5.654358 4.236439 4.851437 4.808737 5.908781 4.099925 4.154810 4.383432 2.954533 3.775541 2.568425 2.429461 1.511736 2.161170 2.161435 0.000000 3.959016 4.147697 4.329384 5.408628 3.908535 4.874044 4.959382 5.887685 3.378521 3.141072 3.711616 3.555627 4.574214 3.274422 2.974023 2.517737 2.842822 3.432219 1.401744 0.000000 5.175197 4.826276 5.638028 6.710977 5.478418 5.437761 5.113435 6.528846 4.863204 5.076338 4.853683 3.700741 4.339327 2.960530 3.546115 2.539830 3.258182 2.635176 1.396997 2.409562 0.000000 4.529477 5.067663 5.246740 6.279679 4.953036 5.473838 5.394041 6.484398 3.592847 3.320145 3.576780 4.629467 5.659643 4.122131 4.283406 3.806407 4.163775 4.591140 2.431139 1.391337 2.792771 0.000000 3.696830 3.968559 3.797615 4.827936 3.176905 4.828396 5.148385 5.737649 3.204775 2.720344 3.817877 3.611856 4.654282 3.647167 2.810687 2.709929 2.772773 3.779917 2.160553 1.092712 3.400278 2.150791 0.000000 5.637410 5.647232 6.383479 7.445355 6.280658 5.992056 5.544198 7.083194 5.029130 5.205010 4.764482 4.748611 5.476100 3.881629 4.706243 3.823825 4.461282 4.028141 2.429949 2.791453 1.395340 2.429706 3.884147 0.000000 5.783620 5.156103 6.139565 7.173914 6.034846 5.797625 5.401483 6.858640 5.662863 5.980787 5.653818 3.861075 4.231104 3.125933 3.818804 2.753520 3.504950 2.384854 2.159509 3.403108 1.092849 3.885584 4.306760 2.151863 0.000000 5.332440 5.729055 6.192181 7.233487 6.035548 5.988896 5.657744 7.044067 4.445924 4.423885 4.147793 5.115036 6.024800 4.355668 4.977453 4.291360 4.798339 4.801659 2.780015 2.393045 2.393927 1.391602 3.384904 1.387827 3.383413 0.000000 4.738997 5.570671 5.506554 6.460918 5.182591 5.874166 5.881283 6.800369 3.612952 3.100559 3.589004 5.370755 6.449877 4.954064 5.001087 4.689472 4.934496 5.563689 3.428439 2.172677 3.883801 1.091231 2.501878 3.409824 4.976569 2.152514 0.000000 6.503982 6.475789 7.322937 8.363205 7.292084 6.702083 6.115484 7.778044 5.907005 6.163093 5.508078 5.546242 6.157588 4.591651 5.629674 4.712629 5.374310 4.727977 3.425681 3.882229 2.174772 3.410658 4.974909 1.090956 2.499738 2.149623 4.296521 0.000000 6.208158 6.811947 7.227790 8.220117 7.126297 6.874976 6.461911 7.883707 5.163518 5.114203 4.659793 6.326735 7.237259 5.514275 6.271615 5.627052 6.110798 6.114792 4.115779 3.609316 3.612366 2.349493 4.495468 2.348799 4.495908 1.335767 2.588660 2.590093 0.000000 0.9952210 0.3967982 0.3303657 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6877,-.3547,.9232;1.3665,-.9324,-.5018;.908,.4491,-.3701;1.6785,1.2179,-.2285;.0466,.748,-.972;2.0056,-1.1485,.794;2.0637,-2.1689,1.1823;2.866,-.5115,1.0344;-.4139,-.5741,1.6598;-1.307,.0378,1.5174;-.413,-1.3139,2.4633;.7954,-1.9723,-1.3835;1.653,-2.2862,-2.0193;.5267,-2.8556,-.7772;-.2604,-1.4714,-2.1287;-1.2392,-2.4337,-2.4882;-1.9178,-1.9063,-3.1722;-.7792,-3.2669,-3.0466;-1.9895,-2.9539,-1.2834;-2.6272,-2.0494,-.4231;-2.0392,-4.3177,-.9845;-3.3001,-2.4919,.7115;-2.5992,-.9807,-.6489;-2.7151,-4.7811,.1448;-1.5404,-5.0359,-1.64;-3.3322,-3.8576,.9769;-3.8024,-1.7975,1.3869;-2.7593,-5.8438,.3874;-3.9761,-4.2898,2.0645; 0.000000 1.680766 0.000000 1.538542 1.461535 0.000000 2.186580 2.189880 1.097621 0.000000 2.284478 2.187871 1.092558 1.853876 0.000000 1.543920 1.460917 2.260997 2.598456 3.248569 0.000000 2.291647 2.202577 3.255683 3.689026 4.149460 1.093373 0.000000 2.186713 2.187638 2.594054 2.448609 3.682542 1.097147 1.847323 0.000000 1.343253 2.823207 2.629577 3.339964 2.981030 2.633207 2.984894 3.339550 0.000000 2.118031 3.487935 2.938989 3.654338 2.921247 3.592248 4.042671 4.236583 1.091959 0.000000 2.122187 3.479104 3.589044 4.246218 4.032901 2.943486 2.916510 3.665685 1.092199 1.876461 0.000000 2.819440 1.478184 2.627398 3.505886 2.851355 2.623905 2.868906 3.502549 3.560783 4.108047 4.085632 0.000000 3.649732 2.053712 3.279814 3.935245 3.589408 3.055008 3.229923 3.734458 4.553976 5.164348 5.030666 1.112705 0.000000 3.028532 2.116614 3.351518 4.268643 3.640703 2.751431 2.583334 3.774842 3.468280 4.123061 3.709637 1.104583 1.770712 0.000000 3.385213 2.363021 2.854154 3.821277 2.521454 3.712274 4.104908 4.549821 3.896262 4.082462 4.597235 1.385969 2.082563 2.088558 0.000000 4.435413 3.604063 4.172243 5.191659 3.751696 4.790990 4.944876 5.740776 4.620055 4.707182 5.143406 2.360700 2.933685 2.494794 1.418921 0.000000 5.095914 4.343472 4.624383 5.599923 3.967967 5.630106 5.906155 6.521171 5.233014 5.113194 5.863014 3.250410 3.771479 3.551444 2.006240 1.098390 0.000000 5.137282 4.065666 4.880473 5.839078 4.594006 5.195462 5.212575 6.126519 5.434533 5.659431 5.857284 2.630784 2.816485 2.650380 2.082181 1.103445 1.778576 0.000000 4.335013 3.994998 4.561838 5.654311 4.236392 4.851406 4.808719 5.908750 4.099745 4.154559 4.383250 2.954558 3.775598 2.568471 2.429461 1.511736 2.161170 2.161437 0.000000 3.958972 4.147716 4.329350 5.408586 3.908489 4.874065 4.959434 5.887692 3.378402 3.140848 3.711517 3.555692 4.574289 3.274540 2.974039 2.517738 2.842811 3.432221 1.401743 0.000000 5.175041 4.826212 5.637939 6.710890 5.478345 5.437667 5.113343 6.528756 4.862949 5.076029 4.853400 3.700729 4.339371 2.960512 3.546100 2.539831 3.258196 2.635179 1.396998 2.409562 0.000000 4.529393 5.067657 5.246669 6.279592 4.952961 5.473829 5.394073 6.484368 3.592682 3.319871 3.576631 4.629520 5.659718 4.122245 4.283413 3.806408 4.163772 4.591142 2.431140 1.391337 2.792771 0.000000 3.696876 3.968633 3.797639 4.827946 3.176904 4.828484 5.148500 5.737719 3.204778 2.720241 3.817904 3.611951 4.654366 3.647315 2.810725 2.709933 2.772750 3.779920 2.160554 1.092712 3.400279 2.150791 0.000000 5.637228 5.647155 6.383364 7.445232 6.280562 5.991941 5.544095 7.083075 5.028842 5.204666 4.764155 4.748603 5.476148 3.881634 4.706227 3.823825 4.461296 4.028142 2.429950 2.791452 1.395339 2.429706 3.884148 0.000000 5.783456 5.156027 6.139478 7.173835 6.034782 5.797510 5.401355 6.858537 5.662603 5.980483 5.653521 3.861039 4.231133 3.125857 3.818784 2.753520 3.504968 2.384857 2.159511 3.403108 1.092850 3.885584 4.306762 2.151862 0.000000 5.332287 5.729003 6.192072 7.233363 6.035449 5.988819 5.657699 7.043975 4.445672 4.423556 4.147518 5.115056 6.024862 4.355731 4.977445 4.291360 4.798347 4.801661 2.780016 2.393045 2.393926 1.391601 3.384904 1.387828 3.383413 0.000000 4.738952 5.570685 5.506497 6.460836 5.182521 5.874187 5.881354 6.800364 3.612857 3.100348 3.588945 5.370823 6.449958 4.954201 5.001101 4.689475 4.934491 5.563692 3.428440 2.172679 3.883800 1.091231 2.501878 3.409824 4.976569 2.152513 0.000000 6.503774 6.475692 7.322805 8.363064 7.291978 6.701936 6.115340 7.777893 5.906693 6.162735 5.507712 5.546218 6.157626 4.591626 5.629651 4.712629 5.374328 4.727978 3.425682 3.882229 2.174771 3.410658 4.974910 1.090956 2.499736 2.149623 4.296520 0.000000 6.207992 6.811884 7.227665 8.219968 7.126186 6.874884 6.461855 7.883594 5.163262 5.113878 4.659510 6.326752 7.237319 5.514337 6.271605 5.627053 6.110808 6.114794 4.115780 3.609316 3.612365 2.349493 4.495468 2.348799 4.495906 1.335767 2.588658 2.590093 0.000000 0.9952200 0.3968087 0.3303746 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6876,-.3549,.9232;1.3664,-.9324,-.5018;.9078,.4491,-.3699;1.6783,1.2178,-.2283;.0464,.7479,-.9719;2.0056,-1.1486,.7939;2.0637,-2.169,1.1822;2.8658,-.5115,1.0345;-.4141,-.5746,1.6597;-1.3072,.0373,1.5174;-.4131,-1.3144,2.4632;.7955,-1.9723,-1.3837;1.6531,-2.2861,-2.0194;.5268,-2.8557,-.7775;-.2604,-1.4714,-2.1288;-1.2392,-2.4337,-2.4883;-1.9177,-1.9063,-3.1723;-.7792,-3.2669,-3.0467;-1.9894,-2.9539,-1.2834;-2.6273,-2.0493,-.4232;-2.0391,-4.3176,-.9844;-3.3001,-2.4917,.7114;-2.5993,-.9806,-.6492;-2.715,-4.7809,.145;-1.5402,-5.0358,-1.6398;-3.3321,-3.8574,.977;-3.8024,-1.7972,1.3867;-2.759,-5.8436,.3877;-3.976,-4.2895,2.0647; 0.000000 1.680763 0.000000 1.538540 1.461536 0.000000 2.186581 2.189882 1.097621 0.000000 2.284475 2.187871 1.092558 1.853876 0.000000 1.543921 1.460916 2.260997 2.598457 3.248569 0.000000 2.291649 2.202577 3.255684 3.689027 4.149461 1.093373 0.000000 2.186713 2.187638 2.594052 2.448608 3.682541 1.097147 1.847323 0.000000 1.343253 2.823202 2.629576 3.339968 2.981026 2.633208 2.984895 3.339551 0.000000 2.118031 3.487932 2.938989 3.654341 2.921245 3.592248 4.042672 4.236583 1.091959 0.000000 2.122189 3.479096 3.589043 4.246224 4.032896 2.943488 2.916510 3.665690 1.092199 1.876459 0.000000 2.819439 1.478187 2.627402 3.505890 2.851358 2.623905 2.868906 3.502552 3.560775 4.108043 4.085617 0.000000 3.649729 2.053716 3.279825 3.935257 3.589423 3.055001 3.229908 3.734456 4.553965 5.164344 5.030645 1.112704 0.000000 3.028520 2.116612 3.351512 4.268640 3.640693 2.751430 2.583335 3.774845 3.468254 4.123038 3.709604 1.104583 1.770711 0.000000 3.385229 2.363029 2.854167 3.821285 2.521468 3.712284 4.104919 4.549829 3.896278 4.082485 4.597244 1.385970 2.082560 2.088560 0.000000 4.435306 3.604029 4.172183 5.191615 3.751625 4.790937 4.944823 5.740736 4.619892 4.707005 5.143230 2.360706 2.933768 2.494757 1.418924 0.000000 5.095849 4.343457 4.624352 5.599902 3.967928 5.630077 5.906124 6.521150 5.232909 5.113077 5.862895 3.250414 3.771534 3.551418 2.006241 1.098390 0.000000 5.137184 4.065667 4.880471 5.839111 4.594001 5.195419 5.212498 6.126515 5.434344 5.659235 5.857050 2.630791 2.816615 2.650275 2.082183 1.103444 1.778577 0.000000 4.334736 3.994867 4.561610 5.654090 4.236142 4.851250 4.808608 5.908591 4.099381 4.154145 4.382899 2.954558 3.775693 2.568488 2.429457 1.511735 2.161170 2.161438 0.000000 3.958773 4.147646 4.329109 5.408327 3.908182 4.874012 4.959482 5.887597 3.378147 3.140463 3.711356 3.555776 4.574416 3.274728 2.974080 2.517734 2.842762 3.432220 1.401743 0.000000 5.174578 4.825956 5.637604 6.710564 5.478027 5.437326 5.113015 6.528427 4.862350 5.075411 4.852747 3.700628 4.339413 2.960362 3.546048 2.539833 3.258244 2.635186 1.396998 2.409561 0.000000 4.529048 5.067506 5.246311 6.279197 4.952553 5.473674 5.394049 6.484157 3.592229 3.319240 3.576276 4.629568 5.659827 4.122413 4.283429 3.806405 4.163743 4.591145 2.431140 1.391337 2.792772 0.000000 3.696916 3.968701 3.797539 4.827809 3.176694 4.828609 5.148723 5.737787 3.204857 2.720204 3.818081 3.612117 4.654523 3.647591 2.810817 2.709928 2.772656 3.779917 2.160554 1.092713 3.400279 2.150790 0.000000 5.636663 5.646850 6.382935 7.444792 6.280154 5.991530 5.543720 7.082653 5.028106 5.203889 4.763343 4.748506 5.476185 3.881535 4.706177 3.823826 4.461337 4.028150 2.429951 2.791452 1.395339 2.429707 3.884147 0.000000 5.782987 5.155752 6.139171 7.173546 6.034511 5.797123 5.400933 6.858180 5.662001 5.979891 5.652829 3.860883 4.231136 3.125574 3.818711 2.753525 3.505044 2.384868 2.159511 3.403107 1.092850 3.885585 4.306762 2.151862 0.000000 5.331769 5.728744 6.191632 7.232891 6.035003 5.988492 5.657470 7.043607 4.444985 4.422762 4.146817 5.115024 6.024932 4.355773 4.977424 4.291359 4.798355 4.801667 2.780016 2.393044 2.393926 1.391602 3.384903 1.387827 3.383413 0.000000 4.738690 5.570581 5.506155 6.460434 5.182109 5.874110 5.881436 6.800206 3.612543 3.099798 3.588795 5.370908 6.450081 4.954430 5.001135 4.689470 4.934444 5.563693 3.428441 2.172679 3.883801 1.091231 2.501876 3.409825 4.976569 2.152514 0.000000 6.503140 6.475339 7.322340 8.362583 7.291553 6.701440 6.114853 7.777386 5.905877 6.161899 5.506779 5.546082 6.157636 4.591459 5.629586 4.712631 5.374384 4.727987 3.425682 3.882228 2.174771 3.410658 4.974909 1.090956 2.499736 2.149624 4.296521 0.000000 6.207426 6.811599 7.227176 8.219426 7.125697 6.874515 6.461598 7.883164 5.162526 5.113023 4.658745 6.326712 7.237380 5.514381 6.271580 5.627051 6.110817 6.114799 4.115780 3.609315 3.612364 2.349492 4.495466 2.348799 4.495906 1.335766 2.588659 2.590093 0.000000 0.9951816 0.3968513 0.3304042 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6874,-.3552,.9232;1.3664,-.9324,-.5018;.9077,.449,-.3698;1.6781,1.2178,-.2281;.0463,.7479,-.9718;2.0055,-1.1487,.7939;2.0636,-2.1692,1.1821;2.8657,-.5117,1.0346;-.4142,-.575,1.6597;-1.3074,.0369,1.5173;-.4133,-1.3149,2.4631;.7955,-1.9723,-1.3838;1.6532,-2.286,-2.0196;.5269,-2.8558,-.7777;-.2603,-1.4714,-2.1289;-1.2392,-2.4336,-2.4884;-1.9178,-1.9062,-3.1724;-.7793,-3.2669,-3.0467;-1.9894,-2.9538,-1.2834;-2.6273,-2.0491,-.4234;-2.0389,-4.3174,-.9842;-3.3001,-2.4915,.7113;-2.5995,-.9804,-.6495;-2.7147,-4.7807,.1452;-1.5399,-5.0357,-1.6395;-3.3319,-3.8571,.9772;-3.8025,-1.7969,1.3866;-2.7586,-5.8433,.3881;-3.9757,-4.2891,2.0649; 0.000000 1.680755 0.000000 1.538537 1.461537 0.000000 2.186582 2.189883 1.097621 0.000000 2.284470 2.187872 1.092558 1.853877 0.000000 1.543922 1.460915 2.260997 2.598454 3.248569 0.000000 2.291649 2.202575 3.255684 3.689024 4.149462 1.093373 0.000000 2.186713 2.187639 2.594048 2.448601 3.682537 1.097146 1.847323 0.000000 1.343255 2.823185 2.629573 3.339975 2.981017 2.633208 2.984891 3.339558 0.000000 2.118031 3.487918 2.938986 3.654349 2.921236 3.592248 4.042669 4.236586 1.091958 0.000000 2.122193 3.479077 3.589041 4.246234 4.032886 2.943490 2.916505 3.665703 1.092199 1.876457 0.000000 2.819434 1.478190 2.627410 3.505897 2.851367 2.623907 2.868904 3.502555 3.560748 4.108021 4.085581 0.000000 3.649724 2.053718 3.279824 3.935256 3.589419 3.055007 3.229917 3.734465 4.553943 5.164323 5.030617 1.112703 0.000000 3.028517 2.116611 3.351522 4.268644 3.640709 2.751423 2.583324 3.774838 3.468232 4.123027 3.709566 1.104582 1.770709 0.000000 3.385227 2.363040 2.854188 3.821309 2.521492 3.712291 4.104920 4.549840 3.896246 4.082457 4.597200 1.385972 2.082555 2.088563 0.000000 4.435180 3.603999 4.172133 5.191588 3.751574 4.790874 4.944751 5.740694 4.619677 4.706774 5.142987 2.360715 2.933859 2.494725 1.418927 0.000000 5.095752 4.343441 4.624324 5.599897 3.967897 5.630034 5.906069 6.521126 5.232727 5.112875 5.862686 3.250421 3.771598 3.551394 2.006243 1.098390 0.000000 5.137080 4.065678 4.880479 5.839158 4.594008 5.195383 5.212424 6.126521 5.434122 5.659000 5.856773 2.630808 2.816761 2.650179 2.082184 1.103444 1.778577 0.000000 4.334439 3.994728 4.561398 5.653886 4.235933 4.851063 4.808446 5.908406 4.098966 4.153696 4.382466 2.954552 3.775786 2.568501 2.429453 1.511733 2.161170 2.161439 0.000000 3.958597 4.147613 4.328932 5.408134 3.907962 4.873972 4.959519 5.887522 3.377876 3.140074 3.711136 3.555892 4.574573 3.274954 2.974143 2.517727 2.842688 3.432218 1.401743 0.000000 5.174050 4.825637 5.637241 6.710204 5.477718 5.436888 5.112562 6.528001 4.861672 5.074749 4.851980 3.700471 4.339404 2.960142 3.545972 2.539837 3.258318 2.635197 1.396998 2.409560 0.000000 4.528704 5.067365 5.245997 6.278845 4.952221 5.473496 5.393973 6.483926 3.591749 3.318617 3.575839 4.629626 5.659947 4.122595 4.283456 3.806400 4.163700 4.591148 2.431141 1.391337 2.792772 0.000000 3.697036 3.968865 3.797563 4.827799 3.176624 4.828811 5.148996 5.737942 3.204962 2.720187 3.818245 3.612356 4.654747 3.647944 2.810960 2.709919 2.772512 3.779911 2.160554 1.092713 3.400278 2.150788 0.000000 5.636022 5.646472 6.382475 7.444310 6.279759 5.991000 5.543191 7.082109 5.027286 5.203078 4.762398 4.748351 5.476170 3.881367 4.706103 3.823828 4.461399 4.028161 2.429951 2.791451 1.395339 2.429707 3.884146 0.000000 5.782435 5.155391 6.138812 7.173198 6.034227 5.796619 5.400368 6.857703 5.661311 5.979245 5.652022 3.860648 4.231062 3.125192 3.818601 2.753532 3.505158 2.384883 2.159511 3.403107 1.092850 3.885586 4.306762 2.151862 0.000000 5.331204 5.728444 6.191192 7.232411 6.034598 5.988080 5.657120 7.043153 4.444237 4.421956 4.145995 5.114963 6.024976 4.355783 4.977392 4.291357 4.798369 4.801674 2.780016 2.393043 2.393926 1.391602 3.384902 1.387827 3.383413 0.000000 4.738457 5.570511 5.505883 6.460104 5.181795 5.874039 5.881494 6.800060 3.612233 3.099289 3.588593 5.371020 6.450231 4.954694 5.001188 4.689464 4.934374 5.563694 3.428441 2.172679 3.883802 1.091232 2.501874 3.409826 4.976571 2.152515 0.000000 6.502410 6.474890 7.321824 8.362035 7.291126 6.700793 6.114176 7.776721 5.904969 6.161024 5.505703 5.545870 6.157573 4.591201 5.629487 4.712634 5.374470 4.728000 3.425682 3.882227 2.174771 3.410659 4.974908 1.090956 2.499735 2.149624 4.296523 0.000000 6.206805 6.811264 7.226680 8.218866 7.125248 6.874046 6.461201 7.882628 5.161730 5.112165 4.657857 6.326639 7.237410 5.514389 6.271542 5.627047 6.110832 6.114807 4.115779 3.609314 3.612364 2.349492 4.495464 2.348798 4.495905 1.335765 2.588660 2.590093 0.000000 0.9951385 0.3968980 0.3304383 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6874,-.3552,.9232;1.3664,-.9324,-.5018;.9077,.449,-.3698;1.6781,1.2178,-.2281;.0463,.7479,-.9718;2.0055,-1.1487,.7939;2.0636,-2.1692,1.1821;2.8657,-.5117,1.0346;-.4142,-.575,1.6597;-1.3074,.0369,1.5173;-.4133,-1.3149,2.4631;.7955,-1.9723,-1.3838;1.6532,-2.286,-2.0196;.5269,-2.8558,-.7777;-.2603,-1.4714,-2.1289;-1.2392,-2.4336,-2.4884;-1.9178,-1.9062,-3.1724;-.7793,-3.2669,-3.0467;-1.9894,-2.9538,-1.2834;-2.6273,-2.0491,-.4234;-2.0389,-4.3174,-.9842;-3.3001,-2.4915,.7113;-2.5995,-.9804,-.6495;-2.7147,-4.7807,.1452;-1.5399,-5.0357,-1.6395;-3.3319,-3.8571,.9772;-3.8025,-1.7969,1.3866;-2.7586,-5.8433,.3881;-3.9757,-4.2891,2.0649; 0.000000 1.680755 0.000000 1.538537 1.461537 0.000000 2.186582 2.189883 1.097621 0.000000 2.284470 2.187872 1.092558 1.853877 0.000000 1.543922 1.460915 2.260997 2.598454 3.248569 0.000000 2.291649 2.202575 3.255684 3.689024 4.149462 1.093373 0.000000 2.186713 2.187639 2.594048 2.448601 3.682537 1.097146 1.847323 0.000000 1.343255 2.823185 2.629573 3.339975 2.981017 2.633208 2.984891 3.339558 0.000000 2.118031 3.487918 2.938986 3.654349 2.921236 3.592248 4.042669 4.236586 1.091958 0.000000 2.122193 3.479077 3.589041 4.246234 4.032886 2.943490 2.916505 3.665703 1.092199 1.876457 0.000000 2.819434 1.478190 2.627410 3.505897 2.851367 2.623907 2.868904 3.502555 3.560748 4.108021 4.085581 0.000000 3.649724 2.053718 3.279824 3.935256 3.589419 3.055007 3.229917 3.734465 4.553943 5.164323 5.030617 1.112703 0.000000 3.028517 2.116611 3.351522 4.268644 3.640709 2.751423 2.583324 3.774838 3.468232 4.123027 3.709566 1.104582 1.770709 0.000000 3.385227 2.363040 2.854188 3.821309 2.521492 3.712291 4.104920 4.549840 3.896246 4.082457 4.597200 1.385972 2.082555 2.088563 0.000000 4.435180 3.603999 4.172133 5.191588 3.751574 4.790874 4.944751 5.740694 4.619677 4.706774 5.142987 2.360715 2.933859 2.494725 1.418927 0.000000 5.095752 4.343441 4.624324 5.599897 3.967897 5.630034 5.906069 6.521126 5.232727 5.112875 5.862686 3.250421 3.771598 3.551394 2.006243 1.098390 0.000000 5.137080 4.065678 4.880479 5.839158 4.594008 5.195383 5.212424 6.126521 5.434122 5.659000 5.856773 2.630808 2.816761 2.650179 2.082184 1.103444 1.778577 0.000000 4.334439 3.994728 4.561398 5.653886 4.235933 4.851063 4.808446 5.908406 4.098966 4.153696 4.382466 2.954552 3.775786 2.568501 2.429453 1.511733 2.161170 2.161439 0.000000 3.958597 4.147613 4.328932 5.408134 3.907962 4.873972 4.959519 5.887522 3.377876 3.140074 3.711136 3.555892 4.574573 3.274954 2.974143 2.517727 2.842688 3.432218 1.401743 0.000000 5.174050 4.825637 5.637241 6.710204 5.477718 5.436888 5.112562 6.528001 4.861672 5.074749 4.851980 3.700471 4.339404 2.960142 3.545972 2.539837 3.258318 2.635197 1.396998 2.409560 0.000000 4.528704 5.067365 5.245997 6.278845 4.952221 5.473496 5.393973 6.483926 3.591749 3.318617 3.575839 4.629626 5.659947 4.122595 4.283456 3.806400 4.163700 4.591148 2.431141 1.391337 2.792772 0.000000 3.697036 3.968865 3.797563 4.827799 3.176624 4.828811 5.148996 5.737942 3.204962 2.720187 3.818245 3.612356 4.654747 3.647944 2.810960 2.709919 2.772512 3.779911 2.160554 1.092713 3.400278 2.150788 0.000000 5.636022 5.646472 6.382475 7.444310 6.279759 5.991000 5.543191 7.082109 5.027286 5.203078 4.762398 4.748351 5.476170 3.881367 4.706103 3.823828 4.461399 4.028161 2.429951 2.791451 1.395339 2.429707 3.884146 0.000000 5.782435 5.155391 6.138812 7.173198 6.034227 5.796619 5.400368 6.857703 5.661311 5.979245 5.652022 3.860648 4.231062 3.125192 3.818601 2.753532 3.505158 2.384883 2.159511 3.403107 1.092850 3.885586 4.306762 2.151862 0.000000 5.331204 5.728444 6.191192 7.232411 6.034598 5.988080 5.657120 7.043153 4.444237 4.421956 4.145995 5.114963 6.024976 4.355783 4.977392 4.291357 4.798369 4.801674 2.780016 2.393043 2.393926 1.391602 3.384902 1.387827 3.383413 0.000000 4.738457 5.570511 5.505883 6.460104 5.181795 5.874039 5.881494 6.800060 3.612233 3.099289 3.588593 5.371020 6.450231 4.954694 5.001188 4.689464 4.934374 5.563694 3.428441 2.172679 3.883802 1.091232 2.501874 3.409826 4.976571 2.152515 0.000000 6.502410 6.474890 7.321824 8.362035 7.291126 6.700793 6.114176 7.776721 5.904969 6.161024 5.505703 5.545870 6.157573 4.591201 5.629487 4.712634 5.374470 4.728000 3.425682 3.882227 2.174771 3.410659 4.974908 1.090956 2.499735 2.149624 4.296523 0.000000 6.206805 6.811264 7.226680 8.218866 7.125248 6.874046 6.461201 7.882628 5.161730 5.112165 4.657857 6.326639 7.237410 5.514389 6.271542 5.627047 6.110832 6.114807 4.115779 3.609314 3.612364 2.349492 4.495464 2.348798 4.495905 1.335765 2.588660 2.590093 0.000000 0.9951385 0.3968980 0.3304383 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 46.8260, EpsInf= 2.0079) Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=1576774779. There are 90 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 84 vectors produced by pass 0 Test12= 1.36D-14 1.11D-09 XBig12= 1.03D-01 1.23D-01. AX will form 84 AO Fock derivatives at one time. 84 vectors produced by pass 1 Test12= 1.36D-14 1.11D-09 XBig12= 6.00D-03 2.36D-02. 84 vectors produced by pass 2 Test12= 1.36D-14 1.11D-09 XBig12= 1.59D-04 3.52D-03. 84 vectors produced by pass 3 Test12= 1.36D-14 1.11D-09 XBig12= 1.41D-06 2.43D-04. 84 vectors produced by pass 4 Test12= 1.36D-14 1.11D-09 XBig12= 8.23D-09 1.13D-05. 84 vectors produced by pass 5 Test12= 1.36D-14 1.11D-09 XBig12= 4.64D-11 8.06D-07. 80 vectors produced by pass 6 Test12= 1.36D-14 1.11D-09 XBig12= 2.36D-13 7.93D-08. 21 vectors produced by pass 7 Test12= 1.36D-14 1.11D-09 XBig12= 8.87D-16 5.17D-09. InvSVY: IOpt=1 It= 1 EMax= 3.33D-16 Solved reduced A of dimension 605 with 90 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 132.038 -5.499 161.542 -31.633 8.337 152.332 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 6 6 6 1 1 6 1 1 6 1 1 6 1 1 8 6 1 1 6 6 6 6 1 6 1 6 1 1 9 0.009918145 0.000783050 -0.004947769 0.005240150 0.001650349 -0.002508235 -0.005468665 -0.003091431 -0.002586912 0.009541407 0.001394564 0.000858422 -0.006048590 0.000958940 -0.000999585 -0.003248408 -0.004247881 0.000180106 -0.003605085 -0.004833541 0.004086741 0.006029341 0.005502841 -0.003963311 -0.003266226 0.001894868 0.003906716 -0.007201983 0.006611255 -0.003397879 0.000713942 -0.005509463 0.008562666 -0.017722331 0.000797002 -0.009681383 0.004495402 -0.000616352 0.001022424 0.002718958 -0.000265084 0.003598900 0.007221164 -0.002747040 0.005250864 0.000708442 0.003393485 0.005841653 -0.001780417 0.001290377 -0.003757719 0.002078263 -0.002284318 -0.003332658 0.006084464 0.004017415 -0.006281556 0.000203803 -0.001996188 -0.000226541 -0.001508054 0.002352012 0.000703840 -0.000653409 -0.002557852 0.000373784 -0.000200847 0.009619305 0.000746748 -0.003193096 0.000194623 0.003227950 0.005831711 -0.004256283 -0.006084248 -0.008924841 -0.010114017 0.011444630 -0.005304010 0.004275827 0.006327074 0.000069500 -0.009114268 0.000341730 0.007271269 0.006897806 -0.008706453 0.017722331 0.005186771 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 46.8260, EpsInf= 2.0079) Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=1576774758. There are 90 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 84 vectors produced by pass 0 Test12= 1.36D-14 1.11D-09 XBig12= 9.42D-02 1.26D-01. AX will form 84 AO Fock derivatives at one time. 84 vectors produced by pass 1 Test12= 1.36D-14 1.11D-09 XBig12= 9.96D-03 2.66D-02. 84 vectors produced by pass 2 Test12= 1.36D-14 1.11D-09 XBig12= 2.70D-04 4.57D-03. 84 vectors produced by pass 3 Test12= 1.36D-14 1.11D-09 XBig12= 2.77D-06 2.87D-04. 84 vectors produced by pass 4 Test12= 1.36D-14 1.11D-09 XBig12= 1.59D-08 1.30D-05. 84 vectors produced by pass 5 Test12= 1.36D-14 1.11D-09 XBig12= 8.96D-11 1.09D-06. 80 vectors produced by pass 6 Test12= 1.36D-14 1.11D-09 XBig12= 5.02D-13 8.03D-08. 25 vectors produced by pass 7 Test12= 1.36D-14 1.11D-09 XBig12= 1.95D-15 5.33D-09. InvSVY: IOpt=1 It= 1 EMax= 2.22D-16 Solved reduced A of dimension 609 with 90 vectors. End of Minotr F.D. properties file 721 does not exist. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 46.8260, EpsInf= 2.0079) Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=1576774751. There are 90 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 84 vectors produced by pass 0 Test12= 1.36D-14 1.11D-09 XBig12= 9.60D-02 1.30D-01. AX will form 84 AO Fock derivatives at one time. 84 vectors produced by pass 1 Test12= 1.36D-14 1.11D-09 XBig12= 1.04D-02 2.67D-02. 84 vectors produced by pass 2 Test12= 1.36D-14 1.11D-09 XBig12= 2.85D-04 4.43D-03. 84 vectors produced by pass 3 Test12= 1.36D-14 1.11D-09 XBig12= 2.90D-06 2.94D-04. 84 vectors produced by pass 4 Test12= 1.36D-14 1.11D-09 XBig12= 1.68D-08 1.46D-05. 84 vectors produced by pass 5 Test12= 1.36D-14 1.11D-09 XBig12= 9.51D-11 1.19D-06. 80 vectors produced by pass 6 Test12= 1.36D-14 1.11D-09 XBig12= 5.32D-13 7.85D-08. 26 vectors produced by pass 7 Test12= 1.36D-14 1.11D-09 XBig12= 2.07D-15 5.45D-09. InvSVY: IOpt=1 It= 1 EMax= 5.00D-16 Solved reduced A of dimension 610 with 90 vectors. End of Minotr F.D. properties file 721 does not exist. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 46.8260, EpsInf= 2.0079) Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=1576774751. There are 90 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 84 vectors produced by pass 0 Test12= 1.36D-14 1.11D-09 XBig12= 9.58D-02 1.30D-01. AX will form 84 AO Fock derivatives at one time. 84 vectors produced by pass 1 Test12= 1.36D-14 1.11D-09 XBig12= 1.04D-02 2.66D-02. 84 vectors produced by pass 2 Test12= 1.36D-14 1.11D-09 XBig12= 2.84D-04 4.43D-03. 84 vectors produced by pass 3 Test12= 1.36D-14 1.11D-09 XBig12= 2.89D-06 2.93D-04. 84 vectors produced by pass 4 Test12= 1.36D-14 1.11D-09 XBig12= 1.67D-08 1.44D-05. 84 vectors produced by pass 5 Test12= 1.36D-14 1.11D-09 XBig12= 9.43D-11 1.19D-06. 80 vectors produced by pass 6 Test12= 1.36D-14 1.11D-09 XBig12= 5.29D-13 7.92D-08. 26 vectors produced by pass 7 Test12= 1.36D-14 1.11D-09 XBig12= 2.06D-15 5.45D-09. InvSVY: IOpt=1 It= 1 EMax= 3.89D-16 Solved reduced A of dimension 610 with 90 vectors. End of Minotr F.D. properties file 721 does not exist. 6 -677.879607519 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 PT18488.200S 2026-02-25T23:45:54.000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 6 9 12 15 16 19 20 21 22 24 26 29 C C C C C C O C C C C C C C F -0.293604 -0.150508 0.386563 0.380078 0.312214 0.525275 -0.429030 0.412798 -0.174355 0.027500 0.022097 -0.038742 -0.041250 0.295014 -0.234047 1.00000 -10.39261 -10.37955 -10.37141 -10.36713 -10.36673 -10.32453 -10.32428 -10.32225 -10.32037 -10.31897 -1.32510 -1.17330 -1.08765 -0.97538 -0.90239 -0.87963 -0.86271 -0.85372 -0.84332 -0.77420 -0.73050 -0.70354 -0.69113 -0.67508 -0.64893 -0.64043 -0.62452 -0.61505 -0.60145 -0.58798 -0.57356 -0.57320 -0.55492 -0.54849 -0.54280 -0.53639 -0.52630 -0.51076 -0.50227 -0.48733 -0.47999 -0.46516 -0.46065 -0.44192 -0.42805 -0.40596 -0.38003 -0.35279 -0.33478 -0.07613 0.03664 0.04539 0.09435 0.12383 0.13890 0.14870 0.15856 0.16000 0.16686 0.17534 0.18020 0.18829 0.19079 0.20417 0.21087 0.21562 0.22122 0.22954 0.23953 0.24577 0.25236 0.27226 0.27450 0.28082 0.29955 0.31423 0.33514 0.36198 0.36873 0.37350 0.38402 0.39394 0.41241 0.42286 0.44984 0.46696 0.48868 0.49719 0.51096 0.51853 0.52128 0.52408 0.53438 0.54436 0.54862 0.55368 0.57108 0.57400 0.58905 0.60225 0.60858 0.62293 0.63994 0.64569 0.65359 0.66252 0.67068 0.67798 0.68835 0.69233 0.70295 0.70552 0.70877 0.71311 0.72257 0.72939 0.73596 0.73792 0.74367 0.75020 0.76393 0.76832 0.76983 0.77686 0.78606 0.79776 0.81182 0.81891 0.82175 0.83065 0.84069 0.84548 0.85949 0.86178 0.88682 0.91329 0.94851 0.95201 0.96851 0.98102 1.00939 1.03747 1.06054 1.13589 1.15874 1.20564 1.20621 1.23930 1.25096 1.26578 1.27406 1.30397 1.31293 1.32636 1.32969 1.34641 1.35405 1.36758 1.37578 1.40029 1.42126 1.45953 1.49573 1.50288 1.53793 1.55388 1.57459 1.57905 1.58980 1.60737 1.62462 1.64089 1.64721 1.65629 1.68303 1.69112 1.73357 1.73915 1.74764 1.75214 1.76244 1.76293 1.79076 1.79955 1.80730 1.81303 1.81711 1.83479 1.84175 1.85176 1.86246 1.86551 1.88491 1.88954 1.90093 1.91809 1.93119 1.93423 1.95147 1.96786 1.97235 1.98099 1.98607 2.00656 2.03132 2.04967 2.05425 2.07189 2.08025 2.11334 2.13121 2.14868 2.16198 2.16851 2.19421 2.21129 2.22266 2.23191 2.23705 2.24553 2.26196 2.28190 2.29021 2.30117 2.33717 2.34161 2.37970 2.38210 2.41355 2.42392 2.43451 2.44022 2.44637 2.46592 2.47778 2.54053 2.57442 2.61032 2.63804 2.65422 2.67299 2.68619 2.70066 2.70915 2.71654 2.76006 2.78383 2.80469 2.81845 2.84595 2.87059 2.89433 2.91428 2.92350 2.95020 2.95468 2.96493 2.98719 3.00099 3.01837 3.05617 3.10185 3.15681 3.15972 3.18742 3.20531 3.22671 3.24729 3.25548 3.40231 3.42180 3.58210 3.59369 3.65328 3.97536 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 C C C H H C H H C H H C H H O C H H C C C C H C H C H H F -0.300334 -0.163156 0.123360 0.128208 0.115915 0.113650 0.121580 0.128217 0.108275 0.122654 0.122827 0.335155 0.108648 0.078939 -0.420249 0.297246 0.067453 0.044720 -0.173297 -0.024977 -0.015844 -0.093492 0.044232 -0.093741 0.043476 0.291085 0.053133 0.051117 -0.214800 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 6 9 12 15 16 19 20 21 22 24 26 29 C C C C C C O C C C C C C C F -0.300334 -0.163156 0.367484 0.363447 0.353755 0.522742 -0.420249 0.409419 -0.173297 0.019255 0.027632 -0.040359 -0.042624 0.291085 -0.214800 1.00000 0.000 0.000 0.000 0.000 0.000 0.000 143.121 -0.848 155.867 -36.898 -4.171 158.270 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.9732 -5.5290 -0.1320 6.8098 -75.9243 -64.8159 -76.5691 -7.5251 2.5573 8.4423 -3.4878 7.6205 -4.1327 -7.5251 2.5573 8.4423 310.5075 473.8798 38.1502 107.1647 204.7627 8.7710 91.9758 170.4811 -27.1883 -17.4417 -2509.8626 -3321.0201 -971.9437 -1305.4701 109.7698 -1123.3488 62.6618 103.9247 -42.1933 -1128.1586 -584.6029 -779.1890 24.6155 100.0381 -422.9246 0 -677.8796075 6.183E-9 1.825E-6 -2.593119,5.6656911,-3.0725721,-5.5947362,1.9012771,6.276653 C01 [X(C13H14F1O1)] 3.5657346 2.00024 0.2311367 0.|0.|0.|0.|0.|0. 0.000000325 0.000001106 -0.000002081 -0.000000857 0.000001033 -0.000002646 -0.000001451 0.000000832 -0.000002590 -0.000001669 0.000001270 -0.000003657 -0.000002222 0.000000187 -0.000001770 0.000000645 0.000001774 -0.000003208 0.000001576 0.000001917 -0.000002976 0.000000573 0.000002298 -0.000004360 0.000001289 0.000000809 -0.000000852 0.000000798 0.000000286 -0.000000097 0.000002497 0.000001063 -0.000000624 -0.000001300 0.000000448 -0.000001737 -0.000001758 0.000000673 -0.000002505 -0.000000151 0.000000492 -0.000001111 -0.000002316 -0.000000372 -0.000000720 -0.000002159 -0.000000937 0.000000625 -0.000003189 -0.000001545 0.000001183 -0.000002360 -0.000000908 0.000000404 -0.000000644 -0.000000952 0.000001575 -0.000000205 -0.000001014 0.000001983 0.000000379 -0.000000913 0.000002088 0.000001238 -0.000001007 0.000002824 -0.000000987 -0.000001084 0.000001605 0.000001822 -0.000000887 0.000002949 0.000000057 -0.000000853 0.000001777 0.000002227 -0.000000922 0.000003309 0.000001601 -0.000001050 0.000003143 0.000002631 -0.000000828 0.000003337 0.000003611 -0.000000919 0.000004132 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6874,-.3552,.9232;1.3664,-.9324,-.5018;.9077,.449,-.3698;1.6781,1.2178,-.2281;.0463,.7479,-.9718;2.0055,-1.1487,.7939;2.0636,-2.1692,1.1821;2.8657,-.5117,1.0346;-.4142,-.575,1.6597;-1.3074,.0369,1.5173;-.4133,-1.3149,2.4631;.7955,-1.9723,-1.3838;1.6532,-2.286,-2.0196;.5269,-2.8558,-.7777;-.2603,-1.4714,-2.1289;-1.2392,-2.4336,-2.4884;-1.9178,-1.9062,-3.1724;-.7793,-3.2669,-3.0467;-1.9894,-2.9538,-1.2834;-2.6273,-2.0491,-.4234;-2.0389,-4.3174,-.9842;-3.3001,-2.4915,.7113;-2.5995,-.9804,-.6495;-2.7147,-4.7807,.1452;-1.5399,-5.0357,-1.6395;-3.3319,-3.8571,.9772;-3.8025,-1.7969,1.3866;-2.7586,-5.8433,.3881;-3.9757,-4.2891,2.0649; Gaussian 16 GINC-EXP-2-53 TVU3 Template file ES64L-G16RevC.01 RwB97XD def2SVP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6874,-.3552,.9232;1.3664,-.9324,-.5018;.9077,.449,-.3698;1.6781,1.2178,-.2281;.0463,.7479,-.9718;2.0055,-1.1487,.7939;2.0636,-2.1692,1.1821;2.8657,-.5117,1.0346;-.4142,-.575,1.6597;-1.3074,.0369,1.5173;-.4133,-1.3149,2.4631;.7955,-1.9723,-1.3838;1.6532,-2.286,-2.0196;.5269,-2.8558,-.7777;-.2603,-1.4714,-2.1289;-1.2392,-2.4336,-2.4884;-1.9178,-1.9062,-3.1724;-.7793,-3.2669,-3.0467;-1.9894,-2.9538,-1.2834;-2.6273,-2.0491,-.4234;-2.0389,-4.3174,-.9842;-3.3001,-2.4915,.7113;-2.5995,-.9804,-.6495;-2.7147,-4.7807,.1452;-1.5399,-5.0357,-1.6395;-3.3319,-3.8571,.9772;-3.8025,-1.7969,1.3866;-2.7586,-5.8433,.3881;-3.9757,-4.2891,2.0649; Template file Redundant internal coordinates found in file. (old form). Charge = 1 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 1 1 1 1 2 2 2 3 3 6 6 9 9 12 12 12 15 16 16 16 19 19 20 20 21 21 22 22 24 24 26 2 3 6 9 3 6 12 4 5 7 8 10 11 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 1.6808 1.5385 1.5439 1.3433 1.4615 1.4609 1.4782 1.0976 1.0926 1.0934 1.0971 1.092 1.0922 1.1127 1.1046 1.386 1.4189 1.0984 1.1034 1.5117 1.4017 1.397 1.3913 1.0927 1.3953 1.0928 1.3916 1.0912 1.3878 1.091 1.3358 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 3 3 6 1 3 3 6 1 1 2 2 4 1 1 2 2 7 1 1 10 2 2 2 13 13 14 12 15 15 15 17 17 18 16 16 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 1 1 2 2 2 2 3 3 3 3 3 6 6 6 6 6 9 9 9 12 12 12 12 12 12 15 16 16 16 16 16 16 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 9 6 9 9 12 6 12 12 4 5 4 5 5 7 8 7 8 8 10 11 11 13 14 15 14 15 15 16 17 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 137.7263 94.3618 131.5819 131.4515 126.2648 101.3681 126.6982 126.4425 110.98 119.55 116.9625 117.1437 115.655 119.695 110.6418 118.4438 116.8479 114.9861 120.5104 120.8917 118.4363 103.9782 109.2178 111.1438 105.9914 112.4533 113.5035 114.6224 104.9703 110.6545 111.949 107.7572 110.792 110.5095 119.5276 121.61 118.8455 121.0136 119.5128 119.4731 120.9687 119.802 119.229 118.6102 121.6626 119.7263 118.6655 121.5381 119.7943 121.8949 118.9455 119.1596 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 6 6 9 9 3 3 9 9 2 2 3 3 6 6 6 6 12 12 3 3 12 12 1 1 1 3 3 3 6 6 6 2 13 14 12 12 12 15 15 17 17 18 18 16 16 21 21 16 16 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 12 12 12 15 15 15 16 16 16 16 16 16 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 3 3 3 3 6 6 6 6 9 9 9 9 9 9 3 3 3 3 6 6 6 6 12 12 12 12 12 12 12 12 12 15 15 15 16 16 16 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 12 4 5 4 5 7 8 7 8 10 11 10 11 10 11 4 5 4 5 7 8 7 8 13 14 15 13 14 15 13 14 15 16 16 16 17 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 0.0428 -74.0619 147.3113 123.1446 -15.4822 -148.8017 73.9383 14.0276 -123.2324 -93.6265 91.0669 -15.066 169.6274 -171.8916 12.8019 62.2171 -154.0107 -142.8873 0.885 153.7175 -61.9298 -1.2668 143.0859 -163.3717 -50.5773 75.4124 122.2867 -124.9189 1.0707 -88.8481 23.9463 149.936 -151.3872 92.5052 -27.8115 -172.8196 -56.8317 66.9206 54.9624 -123.5247 -61.8406 119.6723 178.796 0.3089 -178.4971 1.7558 0.032 -179.7152 178.8071 -0.9991 0.31 -179.4963 -0.1772 -179.8343 179.5701 -0.087 -0.4945 -179.9531 179.3128 -0.1457 -0.0154 179.9857 179.6485 -0.3504 0.3468 -179.6543 179.815 -0.186 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00120 0.00295 0.00520 0.00607 0.00780 0.01168 0.01589 0.01833 0.01854 0.02051 0.02326 0.02405 0.02490 0.02572 0.02814 0.03034 0.03139 0.03192 0.03616 0.03707 0.04041 0.04068 0.04315 0.04616 0.05202 0.05649 0.05721 0.05841 0.06370 0.07902 0.09006 0.10256 0.10434 0.10462 0.10733 0.10897 0.11399 0.11768 0.12287 0.12418 0.13419 0.14121 0.15924 0.17361 0.17533 0.18127 0.18924 0.19496 0.19859 0.22431 0.23871 0.24153 0.27484 0.28611 0.30470 0.31553 0.31956 0.33078 0.33392 0.33686 0.34734 0.35051 0.35316 0.35649 0.36285 0.36464 0.36469 0.36805 0.36886 0.36907 0.37032 0.37314 0.39365 0.40885 0.43151 0.46594 0.48372 0.49485 0.50054 0.53783 0.61417 Angle between quadratic step and forces= 71.36 degrees. 1 2 0.00000236 0.00000000 0.00000000 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 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 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 3.17617 2.90741 2.91759 2.53838 2.76191 2.76073 2.79337 2.07420 2.06464 2.06618 2.07331 2.06350 2.06396 2.10270 2.08736 2.61911 2.68138 2.07566 2.08521 2.85676 2.64891 2.63994 2.62925 2.06493 2.63681 2.06519 2.62975 2.06213 2.62261 2.06161 2.52423 2.40378 1.64692 2.29654 2.29426 2.20374 1.76921 2.21130 2.20684 1.93697 2.08654 2.04138 2.04454 2.01856 2.08907 1.93106 2.06723 2.03938 2.00689 2.10330 2.10996 2.06710 1.81476 1.90621 1.93982 1.84990 1.96268 1.98101 2.00054 1.83208 1.93129 1.95388 1.88072 1.93369 1.92876 2.08615 2.12249 2.07424 2.11209 2.08589 2.08520 2.11130 2.09094 2.08094 2.07014 2.12341 2.08962 2.07110 2.12124 2.09080 2.12747 2.07599 2.07973 0.00075 -1.29262 2.57107 2.14928 -0.27022 -2.59708 1.29047 0.24483 -2.15081 -1.63409 1.58942 -0.26295 2.96056 -3.00007 0.22344 1.08589 -2.68799 -2.49385 0.01545 2.68288 -1.08088 -0.02211 2.49732 -2.85137 -0.88274 1.31619 2.13431 -2.18025 0.01869 -1.55069 0.41794 2.61688 -2.64220 1.61452 -0.48540 -3.01627 -0.99190 1.16799 0.95927 -2.15591 -1.07932 2.08867 3.12058 0.00539 -3.11536 0.03064 0.00056 -3.13662 3.12077 -0.01744 0.00541 -3.13280 -0.00309 -3.13870 3.13409 -0.00152 -0.00863 -3.14077 3.12960 -0.00254 -0.00027 3.14134 3.13546 -0.00612 0.00605 -3.13556 3.13836 -0.00325 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 3.17617 2.90741 2.91759 2.53838 2.76191 2.76073 2.79337 2.07420 2.06464 2.06618 2.07331 2.06350 2.06396 2.10270 2.08736 2.61911 2.68138 2.07566 2.08521 2.85676 2.64891 2.63994 2.62925 2.06493 2.63681 2.06519 2.62975 2.06213 2.62261 2.06161 2.52423 2.40378 1.64692 2.29654 2.29426 2.20374 1.76921 2.21130 2.20684 1.93697 2.08654 2.04138 2.04454 2.01856 2.08907 1.93106 2.06723 2.03938 2.00689 2.10330 2.10996 2.06710 1.81476 1.90621 1.93982 1.84990 1.96268 1.98101 2.00054 1.83208 1.93129 1.95388 1.88072 1.93369 1.92876 2.08615 2.12249 2.07424 2.11209 2.08589 2.08520 2.11130 2.09094 2.08094 2.07014 2.12341 2.08962 2.07110 2.12124 2.09080 2.12747 2.07599 2.07973 0.00075 -1.29262 2.57107 2.14928 -0.27022 -2.59708 1.29047 0.24483 -2.15081 -1.63409 1.58942 -0.26295 2.96056 -3.00007 0.22343 1.08589 -2.68799 -2.49385 0.01545 2.68288 -1.08088 -0.02211 2.49732 -2.85137 -0.88274 1.31620 2.13431 -2.18025 0.01869 -1.55069 0.41794 2.61688 -2.64220 1.61452 -0.48540 -3.01627 -0.99190 1.16799 0.95927 -2.15591 -1.07932 2.08867 3.12058 0.00539 -3.11536 0.03064 0.00056 -3.13662 3.12077 -0.01744 0.00541 -3.13280 -0.00309 -3.13870 3.13409 -0.00152 -0.00863 -3.14077 3.12960 -0.00254 -0.00027 3.14134 3.13546 -0.00612 0.00605 -3.13556 3.13836 -0.00325 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000009 0.000002 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -2.070969e-13 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 1 1 1 1 2 2 2 3 3 6 6 9 9 12 12 12 15 16 16 16 19 19 20 20 21 21 22 22 24 24 26 2 3 6 9 3 6 12 4 5 7 8 10 11 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 26 28 29 1.6808 1.5385 1.5439 1.3433 1.4615 1.4609 1.4782 1.0976 1.0926 1.0934 1.0971 1.092 1.0922 1.1127 1.1046 1.386 1.4189 1.0984 1.1034 1.5117 1.4017 1.397 1.3913 1.0927 1.3953 1.0928 1.3916 1.0912 1.3878 1.091 1.3358 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 3 3 6 1 3 3 6 1 1 2 2 4 1 1 2 2 7 1 1 10 2 2 2 13 13 14 12 15 15 15 17 17 18 16 16 20 19 19 22 19 19 24 20 20 26 21 21 26 22 22 24 1 1 1 1 2 2 2 2 3 3 3 3 3 6 6 6 6 6 9 9 9 12 12 12 12 12 12 15 16 16 16 16 16 16 19 19 19 20 20 20 21 21 21 22 22 22 24 24 24 26 26 26 9 6 9 9 12 6 12 12 4 5 4 5 5 7 8 7 8 8 10 11 11 13 14 15 14 15 15 16 17 18 19 18 19 19 20 21 21 22 23 23 24 25 25 26 27 27 26 28 28 24 29 29 137.7263 94.3618 131.5819 131.4515 126.2648 101.3681 126.6982 126.4425 110.98 119.55 116.9625 117.1437 115.655 119.695 110.6418 118.4438 116.8479 114.9861 120.5104 120.8917 118.4363 103.9782 109.2178 111.1438 105.9914 112.4533 113.5035 114.6224 104.9703 110.6545 111.949 107.7572 110.792 110.5095 119.5276 121.61 118.8455 121.0136 119.5128 119.4731 120.9687 119.802 119.229 118.6102 121.6626 119.7263 118.6655 121.5381 119.7943 121.8949 118.9455 119.1596 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 6 6 9 9 3 3 9 9 2 2 3 3 6 6 6 6 12 12 3 3 12 12 1 1 1 3 3 3 6 6 6 2 13 14 12 12 12 15 15 17 17 18 18 16 16 21 21 16 16 20 20 19 19 23 23 19 19 25 25 20 20 27 27 21 21 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 12 12 12 15 15 15 16 16 16 16 16 16 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 24 24 24 2 3 3 3 3 6 6 6 6 9 9 9 9 9 9 3 3 3 3 6 6 6 6 12 12 12 12 12 12 12 12 12 15 15 15 16 16 16 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 12 4 5 4 5 7 8 7 8 10 11 10 11 10 11 4 5 4 5 7 8 7 8 13 14 15 13 14 15 13 14 15 16 16 16 17 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 0.0428 -74.0619 147.3113 123.1446 -15.4822 -148.8017 73.9383 14.0276 -123.2324 -93.6265 91.0669 -15.066 169.6274 -171.8916 12.8019 62.2171 -154.0107 -142.8873 0.885 153.7175 -61.9298 -1.2668 143.0859 -163.3717 -50.5773 75.4124 122.2867 -124.9189 1.0707 -88.8481 23.9463 149.936 -151.3872 92.5052 -27.8115 -172.8196 -56.8317 66.9206 54.9624 -123.5247 -61.8406 119.6723 178.796 0.3089 -178.4971 1.7558 0.032 -179.7152 178.8071 -0.9991 0.31 -179.4963 -0.1772 -179.8343 179.5701 -0.087 -0.4945 -179.9531 179.3128 -0.1457 -0.0154 179.9857 179.6485 -0.3504 0.3468 -179.6543 179.815 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2SVP (5D, 7F) 29 29 29 1.00e+00 60 F 0.000000 1.680755 0.000000 1.538537 1.461537 0.000000 2.186582 2.189883 1.097621 0.000000 2.284470 2.187872 1.092558 1.853877 0.000000 1.543922 1.460915 2.260997 2.598454 3.248569 0.000000 2.291649 2.202575 3.255684 3.689024 4.149462 1.093373 0.000000 2.186713 2.187639 2.594048 2.448601 3.682537 1.097146 1.847323 0.000000 1.343255 2.823185 2.629573 3.339975 2.981017 2.633208 2.984891 3.339558 0.000000 2.118031 3.487918 2.938986 3.654349 2.921236 3.592248 4.042669 4.236586 1.091958 0.000000 2.122193 3.479077 3.589041 4.246234 4.032886 2.943490 2.916505 3.665703 1.092199 1.876457 0.000000 2.819434 1.478190 2.627410 3.505897 2.851367 2.623907 2.868904 3.502555 3.560748 4.108021 4.085581 0.000000 3.649724 2.053718 3.279824 3.935256 3.589419 3.055007 3.229917 3.734465 4.553943 5.164323 5.030617 1.112703 0.000000 3.028517 2.116611 3.351522 4.268644 3.640709 2.751423 2.583324 3.774838 3.468232 4.123027 3.709566 1.104582 1.770709 0.000000 3.385227 2.363040 2.854188 3.821309 2.521492 3.712291 4.104920 4.549840 3.896246 4.082457 4.597200 1.385972 2.082555 2.088563 0.000000 4.435180 3.603999 4.172133 5.191588 3.751574 4.790874 4.944751 5.740694 4.619677 4.706774 5.142987 2.360715 2.933859 2.494725 1.418927 0.000000 5.095752 4.343441 4.624324 5.599897 3.967897 5.630034 5.906069 6.521126 5.232727 5.112875 5.862686 3.250421 3.771598 3.551394 2.006243 1.098390 0.000000 5.137080 4.065678 4.880479 5.839158 4.594008 5.195383 5.212424 6.126521 5.434122 5.659000 5.856773 2.630808 2.816761 2.650179 2.082184 1.103444 1.778577 0.000000 4.334439 3.994728 4.561398 5.653886 4.235933 4.851063 4.808446 5.908406 4.098966 4.153696 4.382466 2.954552 3.775786 2.568501 2.429453 1.511733 2.161170 2.161439 0.000000 3.958597 4.147613 4.328932 5.408134 3.907962 4.873972 4.959519 5.887522 3.377876 3.140074 3.711136 3.555892 4.574573 3.274954 2.974143 2.517727 2.842688 3.432218 1.401743 0.000000 5.174050 4.825637 5.637241 6.710204 5.477718 5.436888 5.112562 6.528001 4.861672 5.074749 4.851980 3.700471 4.339404 2.960142 3.545972 2.539837 3.258318 2.635197 1.396998 2.409560 0.000000 4.528704 5.067365 5.245997 6.278845 4.952221 5.473496 5.393973 6.483926 3.591749 3.318617 3.575839 4.629626 5.659947 4.122595 4.283456 3.806400 4.163700 4.591148 2.431141 1.391337 2.792772 0.000000 3.697036 3.968865 3.797563 4.827799 3.176624 4.828811 5.148996 5.737942 3.204962 2.720187 3.818245 3.612356 4.654747 3.647944 2.810960 2.709919 2.772512 3.779911 2.160554 1.092713 3.400278 2.150788 0.000000 5.636022 5.646472 6.382475 7.444310 6.279759 5.991000 5.543191 7.082109 5.027286 5.203078 4.762398 4.748351 5.476170 3.881367 4.706103 3.823828 4.461399 4.028161 2.429951 2.791451 1.395339 2.429707 3.884146 0.000000 5.782435 5.155391 6.138812 7.173198 6.034227 5.796619 5.400368 6.857703 5.661311 5.979245 5.652022 3.860648 4.231062 3.125192 3.818601 2.753532 3.505158 2.384883 2.159511 3.403107 1.092850 3.885586 4.306762 2.151862 0.000000 5.331204 5.728444 6.191192 7.232411 6.034598 5.988080 5.657120 7.043153 4.444237 4.421956 4.145995 5.114963 6.024976 4.355783 4.977392 4.291357 4.798369 4.801674 2.780016 2.393043 2.393926 1.391602 3.384902 1.387827 3.383413 0.000000 4.738457 5.570511 5.505883 6.460104 5.181795 5.874039 5.881494 6.800060 3.612233 3.099289 3.588593 5.371020 6.450231 4.954694 5.001188 4.689464 4.934374 5.563694 3.428441 2.172679 3.883802 1.091232 2.501874 3.409826 4.976571 2.152515 0.000000 6.502410 6.474890 7.321824 8.362035 7.291126 6.700793 6.114176 7.776721 5.904969 6.161024 5.505703 5.545870 6.157573 4.591201 5.629487 4.712634 5.374470 4.728000 3.425682 3.882227 2.174771 3.410659 4.974908 1.090956 2.499735 2.149624 4.296523 0.000000 6.206805 6.811264 7.226680 8.218866 7.125248 6.874046 6.461201 7.882628 5.161730 5.112165 4.657857 6.326639 7.237410 5.514389 6.271542 5.627047 6.110832 6.114807 4.115779 3.609314 3.612364 2.349492 4.495464 2.348798 4.495905 1.335765 2.588660 2.590093 0.000000 0.9951385 0.3968980 0.3304383 1 -677.879607519 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 46.8260, EpsInf= 2.0079) 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=1576774751. There are 90 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 87 vectors produced by pass 0 Test12= 1.36D-14 1.11D-09 XBig12= 6.54D+01 3.76D+00. AX will form 87 AO Fock derivatives at one time. 87 vectors produced by pass 1 Test12= 1.36D-14 1.11D-09 XBig12= 5.43D+00 3.13D-01. 87 vectors produced by pass 2 Test12= 1.36D-14 1.11D-09 XBig12= 1.25D-01 7.82D-02. 87 vectors produced by pass 3 Test12= 1.36D-14 1.11D-09 XBig12= 1.08D-03 5.29D-03. 87 vectors produced by pass 4 Test12= 1.36D-14 1.11D-09 XBig12= 7.97D-06 3.32D-04. 87 vectors produced by pass 5 Test12= 1.36D-14 1.11D-09 XBig12= 4.38D-08 2.23D-05. 82 vectors produced by pass 6 Test12= 1.36D-14 1.11D-09 XBig12= 2.22D-10 1.48D-06. 19 vectors produced by pass 7 Test12= 1.36D-14 1.11D-09 XBig12= 9.23D-13 8.58D-08. 3 vectors produced by pass 8 Test12= 1.36D-14 1.11D-09 XBig12= 4.00D-15 7.96D-09. InvSVY: IOpt=1 It= 1 EMax= 6.22D-15 Solved reduced A of dimension 626 with 90 vectors. Isotropic polarizability for W= 0.000000 174.21 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT2993.400S 2026-02-25T23:49:03.000 -10.39261 -10.37955 -10.37141 -10.36713 -10.36673 -10.32453 -10.32428 -10.32225 -10.32037 -10.31897 -1.32510 -1.17330 -1.08765 -0.97538 -0.90239 -0.87963 -0.86271 -0.85372 -0.84332 -0.77420 -0.73050 -0.70354 -0.69113 -0.67508 -0.64893 -0.64043 -0.62452 -0.61505 -0.60145 -0.58798 -0.57356 -0.57320 -0.55492 -0.54849 -0.54280 -0.53639 -0.52630 -0.51076 -0.50227 -0.48733 -0.47999 -0.46516 -0.46065 -0.44192 -0.42805 -0.40596 -0.38003 -0.35279 -0.33478 -0.07613 0.03664 0.04539 0.09435 0.12383 0.13890 0.14870 0.15856 0.16000 0.16686 0.17534 0.18020 0.18829 0.19079 0.20417 0.21087 0.21562 0.22122 0.22954 0.23953 0.24577 0.25236 0.27226 0.27450 0.28082 0.29955 0.31423 0.33514 0.36198 0.36873 0.37350 0.38402 0.39394 0.41241 0.42286 0.44984 0.46696 0.48868 0.49719 0.51096 0.51853 0.52128 0.52408 0.53438 0.54436 0.54862 0.55368 0.57108 0.57400 0.58905 0.60225 0.60858 0.62293 0.63994 0.64569 0.65359 0.66252 0.67068 0.67798 0.68835 0.69233 0.70295 0.70552 0.70877 0.71311 0.72257 0.72939 0.73596 0.73792 0.74367 0.75020 0.76393 0.76832 0.76983 0.77686 0.78606 0.79776 0.81182 0.81891 0.82175 0.83065 0.84069 0.84548 0.85949 0.86178 0.88682 0.91329 0.94851 0.95201 0.96851 0.98102 1.00939 1.03747 1.06054 1.13589 1.15874 1.20564 1.20621 1.23930 1.25096 1.26578 1.27406 1.30397 1.31293 1.32636 1.32969 1.34641 1.35405 1.36758 1.37578 1.40029 1.42126 1.45953 1.49573 1.50288 1.53793 1.55388 1.57459 1.57905 1.58980 1.60737 1.62462 1.64089 1.64721 1.65629 1.68303 1.69112 1.73357 1.73915 1.74764 1.75214 1.76244 1.76293 1.79076 1.79955 1.80730 1.81303 1.81711 1.83479 1.84175 1.85176 1.86246 1.86551 1.88491 1.88954 1.90093 1.91809 1.93119 1.93423 1.95147 1.96786 1.97235 1.98099 1.98607 2.00656 2.03132 2.04967 2.05425 2.07189 2.08025 2.11334 2.13121 2.14868 2.16198 2.16851 2.19421 2.21129 2.22266 2.23191 2.23705 2.24553 2.26196 2.28190 2.29021 2.30117 2.33717 2.34161 2.37970 2.38210 2.41355 2.42392 2.43452 2.44022 2.44637 2.46592 2.47778 2.54053 2.57442 2.61032 2.63804 2.65422 2.67299 2.68619 2.70066 2.70915 2.71654 2.76006 2.78383 2.80469 2.81845 2.84595 2.87059 2.89433 2.91428 2.92350 2.95020 2.95468 2.96493 2.98719 3.00099 3.01837 3.05617 3.10185 3.15681 3.15972 3.18742 3.20531 3.22671 3.24729 3.25548 3.40231 3.42180 3.58210 3.59369 3.65328 3.97536 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 C C C H H C H H C H H C H H O C H H C C C C H C H C H H F -0.300334 -0.163156 0.123360 0.128208 0.115915 0.113650 0.121580 0.128217 0.108275 0.122654 0.122827 0.335155 0.108648 0.078939 -0.420249 0.297246 0.067453 0.044720 -0.173297 -0.024977 -0.015844 -0.093492 0.044232 -0.093741 0.043476 0.291085 0.053133 0.051117 -0.214800 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 6 9 12 15 16 19 20 21 22 24 26 29 C C C C C C O C C C C C C C F -0.300334 -0.163156 0.367484 0.363447 0.353755 0.522742 -0.420249 0.409419 -0.173297 0.019255 0.027632 -0.040359 -0.042624 0.291085 -0.214800 1.00000 165.286 3.603 177.629 -43.178 -2.530 179.727 143.121 -0.848 155.867 -36.898 -4.171 158.270 -10.3188 -5.8427 -0.0008 -0.0006 -0.0005 12.9886 22.0907 42.7088 56.5857 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 20.2130 41.4298 56.5307 83.6378 129.9804 141.0757 200.4868 240.2462 309.6506 330.1702 337.7364 357.3965 407.3016 432.8048 434.3411 450.0426 489.2836 514.0614 551.0379 601.4305 605.0267 649.5328 710.8943 728.1983 785.8188 794.4862 851.2694 863.3540 869.7388 879.1200 952.7943 964.8074 977.9247 980.1372 1007.2794 1010.6286 1029.2897 1031.6430 1036.3918 1050.6895 1057.1053 1084.6694 1121.2975 1150.7738 1155.0711 1173.8637 1193.0831 1241.8806 1266.5060 1293.3618 1294.0118 1314.9078 1327.8230 1365.8967 1368.5063 1406.2918 1417.2916 1422.6663 1454.2311 1460.2436 1469.5193 1483.7128 1515.8917 1569.3496 1682.0203 1704.6197 1712.8978 2980.9125 3058.3055 3079.7064 3122.1632 3129.3854 3148.4359 3184.1233 3209.1355 3210.7728 3234.3675 3237.2029 3244.4871 3255.7175 3303.5128 4.8202 3.6646 4.6661 4.1358 5.3109 3.5331 3.5679 4.4543 2.4764 3.2639 1.9471 3.4613 3.9175 3.2085 3.7167 2.9112 1.9490 2.9928 2.1920 3.1374 3.4943 6.9149 3.0271 3.7579 4.0006 2.3698 1.2477 2.3978 2.6482 3.0224 1.5313 1.7067 1.4138 1.0648 1.4586 1.8267 2.3375 1.2975 1.5091 1.5318 2.0270 1.8881 1.2273 1.4242 1.4828 1.1710 2.4950 2.2889 1.1556 1.7690 4.0187 1.4629 1.7432 2.8823 1.9071 1.4795 1.1837 1.1607 1.4332 1.6678 2.2069 1.1183 2.0831 3.2207 7.4782 6.8253 6.0919 1.0676 1.0671 1.0925 1.0613 1.0611 1.1030 1.0617 1.0917 1.0913 1.0970 1.0966 1.1161 1.1141 1.1213 0.0012 0.0037 0.0088 0.0170 0.0529 0.0414 0.0845 0.1515 0.1399 0.2096 0.1309 0.2605 0.3829 0.3541 0.4131 0.3474 0.2749 0.4660 0.3921 0.6686 0.7536 1.7188 0.9013 1.1741 1.4555 0.8813 0.5327 1.0530 1.1803 1.3763 0.8190 0.9360 0.7966 0.6027 0.8719 1.0992 1.4591 0.8136 0.9550 0.9964 1.3346 1.3088 0.9092 1.1112 1.1656 0.9507 2.0925 2.0799 1.0922 1.7435 3.9647 1.4902 1.8109 3.1683 2.1043 1.7239 1.4009 1.3841 1.7858 2.0953 2.8079 1.4505 2.8203 4.6735 12.4656 11.6850 10.5308 5.5894 5.8804 6.1049 6.0953 6.1227 6.4422 6.3421 6.6244 6.6283 6.7615 6.7711 6.9220 6.9576 7.2096 4.4939 2.5117 1.4531 1.2151 0.2032 5.0368 8.6518 14.0191 3.0972 7.4665 6.1077 16.9768 1.8860 2.3146 10.7215 24.4838 14.3894 21.8020 20.2743 12.3534 140.6136 0.1670 87.7199 4.5169 15.2923 4.1674 1.8957 54.4600 124.4223 53.7791 12.3029 5.6814 2.8975 2.5319 4.2407 10.7810 16.0171 35.1585 8.3300 10.8539 55.8565 9.4622 12.3638 0.8597 55.4815 20.8515 202.3686 19.0373 16.8358 108.2606 166.7988 16.0080 7.8562 8.0681 6.4613 42.8455 24.3649 47.3486 23.3507 24.3931 2.0457 22.7371 4.6966 139.9948 18.1956 69.0108 150.9909 41.0931 67.5757 5.6870 4.6921 8.7342 13.1748 0.0106 5.7701 5.1806 0.8067 1.2141 7.1057 10.0843 6.5891 0.10 0.15 -0.03 0.04 0.03 -0.01 0.09 0.06 -0.09 0.12 0.04 -0.17 0.08 0.04 -0.09 0.07 0.10 -0.01 0.04 0.12 0.06 0.10 0.09 -0.08 0.12 0.25 0.02 0.13 0.27 0.01 0.12 0.31 0.08 -0.02 -0.01 0.07 -0.04 -0.09 0.08 -0.04 0.05 0.14 -0.01 -0.01 0.06 0.01 -0.03 0.05 0.01 -0.04 0.04 0.03 -0.02 0.05 -0.01 -0.04 0.03 0.09 -0.05 0.11 -0.14 -0.06 -0.08 0.06 -0.07 0.08 0.19 -0.03 0.19 -0.18 -0.08 -0.11 -0.21 -0.06 -0.14 -0.08 -0.09 -0.03 0.14 -0.08 0.14 -0.28 -0.10 -0.20 -0.11 -0.11 -0.06 -0.06 0.03 -0.03 0.00 -0.10 0.05 0.16 -0.04 -0.04 0.25 -0.13 0.01 0.25 0.05 -0.12 -0.14 -0.14 0.11 -0.31 -0.13 0.15 -0.09 -0.23 0.17 -0.14 0.19 -0.12 -0.05 0.31 -0.19 -0.30 0.21 -0.10 -0.05 -0.06 0.04 -0.05 -0.11 0.06 -0.12 -0.04 0.03 0.00 0.01 0.01 -0.05 0.07 -0.02 -0.04 0.15 0.02 -0.09 0.09 -0.08 -0.04 0.04 -0.03 -0.02 0.02 0.01 -0.01 0.03 -0.05 0.04 -0.01 0.03 -0.04 0.02 0.02 0.05 0.00 -0.03 -0.02 0.05 -0.08 0.08 -0.02 0.01 0.06 -0.03 0.06 0.07 0.00 -0.04 0.14 -0.04 0.04 -0.11 -0.02 0.05 -0.09 0.00 0.03 -0.16 -0.02 0.04 -0.20 0.02 0.03 -0.18 -0.06 0.04 -0.08 0.03 0.03 -0.03 0.03 0.03 -0.11 0.07 0.03 -0.08 -0.05 0.09 -0.09 -0.07 0.12 -0.03 -0.04 0.10 -0.01 -0.02 0.01 0.04 -0.02 0.08 -0.04 -0.01 0.01 0.04 -0.06 -0.08 0.04 -0.07 -0.07 0.05 -0.09 -0.09 0.04 -0.09 -0.03 0.03 -0.03 -0.05 0.21 0.02 0.03 -0.15 -0.03 -0.12 0.24 0.06 0.06 0.33 0.03 0.07 -0.13 0.01 -0.09 -0.29 -0.07 -0.19 0.08 0.06 0.01 0.39 0.10 0.13 -0.26 0.00 -0.14 0.12 0.10 0.05 0.07 0.04 0.10 -0.06 -0.05 0.03 -0.06 -0.05 0.01 -0.05 -0.04 -0.10 -0.11 -0.08 0.07 0.04 0.01 -0.01 0.06 0.02 0.03 0.08 -0.00 -0.13 0.16 0.16 0.26 0.15 0.15 0.27 0.24 0.26 0.35 -0.11 -0.07 0.10 -0.10 -0.21 0.18 -0.21 0.00 0.17 -0.02 -0.05 -0.01 -0.03 -0.02 -0.08 0.01 0.02 -0.09 -0.03 -0.01 -0.08 -0.07 -0.02 -0.11 -0.12 -0.01 -0.14 0.01 -0.01 -0.05 -0.07 0.00 -0.11 -0.17 -0.02 -0.18 0.06 0.01 -0.01 0.04 -0.01 -0.02 0.03 0.01 -0.04 -0.10 0.00 -0.13 0.14 0.02 0.05 0.11 0.03 0.02 0.06 0.04 -0.02 0.07 0.04 0.05 0.06 0.05 -0.00 0.05 0.06 -0.02 0.05 0.02 -0.00 0.12 0.13 0.04 0.18 0.16 0.10 0.08 0.20 0.00 -0.02 -0.19 -0.20 -0.09 -0.30 -0.27 -0.04 -0.27 -0.27 0.01 -0.01 0.14 -0.06 -0.07 0.08 0.01 0.04 0.21 -0.04 0.01 0.21 0.05 -0.01 0.02 0.14 -0.01 -0.07 0.16 0.01 0.07 -0.10 -0.04 -0.09 -0.12 -0.03 -0.11 -0.15 -0.04 -0.10 -0.07 -0.01 -0.07 -0.12 -0.03 -0.13 -0.11 -0.02 -0.06 -0.18 -0.05 -0.10 -0.01 0.01 -0.01 -0.04 0.01 -0.06 -0.10 -0.01 -0.04 0.17 0.04 0.11 -0.04 0.00 -0.05 0.02 -0.07 0.01 -0.13 -0.10 -0.13 -0.22 0.00 -0.21 -0.16 -0.27 -0.16 0.05 0.13 0.03 0.16 0.18 0.13 -0.03 0.25 -0.03 -0.01 -0.06 -0.03 -0.08 -0.17 -0.07 0.08 0.01 0.04 0.05 -0.15 0.08 0.06 -0.28 0.17 -0.07 -0.07 0.14 0.15 -0.08 -0.03 -0.04 0.11 0.02 -0.02 0.28 0.13 -0.24 0.07 -0.09 -0.03 0.12 0.04 -0.04 0.07 0.08 0.01 0.11 -0.01 -0.03 0.01 0.06 -0.08 0.08 0.12 0.03 0.05 -0.03 0.02 0.15 -0.05 0.00 -0.01 0.00 -0.05 -0.03 0.09 0.06 0.03 -0.08 0.00 -0.08 -0.03 -0.05 -0.05 -0.02 0.07 0.02 -0.02 -0.02 -0.02 0.00 -0.08 0.03 0.09 0.00 -0.05 -0.05 -0.03 -0.02 0.02 -0.03 -0.04 -0.03 -0.07 -0.01 0.13 -0.00 0.10 0.10 0.03 0.15 0.11 0.02 0.18 0.17 0.21 0.05 -0.16 0.27 0.36 -0.24 0.42 -0.11 -0.31 0.10 -0.02 -0.04 0.07 -0.03 0.05 0.10 -0.05 -0.01 0.04 -0.08 0.11 -0.02 0.03 0.03 -0.11 0.00 -0.00 -0.09 0.02 -0.02 -0.14 -0.03 -0.03 -0.13 0.01 0.01 -0.12 -0.01 -0.05 -0.09 0.03 -0.03 -0.07 -0.02 0.00 -0.16 -0.04 -0.03 -0.11 -0.01 -0.07 0.10 -0.04 0.10 -0.10 -0.11 -0.10 0.08 -0.07 -0.02 -0.10 -0.14 -0.14 -0.25 -0.01 -0.07 -0.10 -0.31 -0.23 0.00 0.01 0.02 0.07 0.02 0.04 -0.10 0.11 0.11 -0.01 0.06 0.07 -0.00 0.06 0.06 0.08 0.24 0.23 0.06 -0.02 -0.05 -0.05 0.19 -0.31 0.24 -0.16 -0.17 -0.13 0.11 0.30 -0.00 0.08 0.04 0.00 0.13 0.07 0.11 0.20 -0.05 0.00 -0.05 -0.04 0.05 -0.02 -0.03 0.03 -0.04 -0.02 0.08 0.02 -0.02 0.09 -0.03 -0.06 0.05 -0.01 0.01 0.03 -0.05 -0.01 0.04 0.02 -0.02 0.10 0.03 -0.02 0.04 -0.00 0.04 -0.03 0.07 -0.04 -0.08 -0.10 -0.11 0.04 0.05 -0.07 -0.02 0.02 -0.04 -0.09 0.06 0.09 0.00 -0.00 -0.09 -0.03 -0.08 -0.09 -0.06 -0.13 -0.21 -0.09 -0.08 0.10 0.00 -0.00 0.03 0.05 0.10 0.18 0.05 -0.01 0.02 -0.08 0.01 0.10 -0.17 -0.36 0.16 -0.29 0.21 0.32 -0.00 0.05 0.03 0.12 -0.06 0.05 0.16 -0.26 -0.13 0.28 -0.12 0.26 0.06 0.05 0.05 0.02 0.05 0.03 0.02 0.05 0.02 -0.06 0.02 -0.01 0.03 0.05 0.06 -0.03 0.03 -0.04 0.06 0.06 0.03 -0.03 0.01 -0.03 -0.08 0.01 -0.02 -0.04 0.03 -0.05 0.06 -0.05 0.00 -0.02 -0.02 -0.03 0.02 0.01 -0.01 -0.00 0.00 -0.01 -0.03 0.02 0.03 0.01 -0.01 -0.04 -0.01 -0.01 -0.01 -0.01 -0.02 -0.03 -0.03 0.00 0.04 0.00 -0.01 0.01 0.00 0.00 0.05 0.03 -0.01 0.01 -0.03 0.00 0.03 -0.05 -0.21 0.12 -0.20 0.11 0.12 0.07 0.08 -0.06 -0.06 0.17 0.01 -0.24 0.37 0.35 -0.24 0.30 -0.33 0.15 -0.07 0.06 0.07 -0.09 0.01 0.05 -0.09 0.02 -0.08 -0.08 -0.09 0.07 -0.10 -0.01 -0.10 -0.09 -0.04 0.05 -0.11 0.04 -0.08 -0.06 -0.04 -0.13 -0.07 -0.14 -0.15 -0.09 -0.06 0.03 0.12 0.10 -0.10 0.13 -0.10 0.01 -0.01 0.01 0.07 0.07 -0.04 0.16 -0.00 -0.11 0.14 0.11 -0.12 -0.10 -0.01 0.00 -0.19 0.00 0.06 -0.15 0.00 0.14 0.07 -0.08 0.09 0.05 0.01 0.62 0.28 -0.44 -0.24 0.04 -0.03 0.01 0.04 0.03 -0.01 0.08 -0.05 -0.01 0.02 -0.04 0.03 -0.02 0.01 -0.00 -0.00 0.07 0.03 -0.06 0.02 -0.05 -0.03 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.01 -0.02 -0.01 -0.02 0.01 -0.00 0.00 0.01 -0.00 0.00 0.03 -0.00 0.02 -0.01 0.01 -0.01 0.06 0.16 0.06 -0.11 -0.16 0.07 -0.01 -0.10 -0.08 0.09 -0.14 -0.37 -0.04 -0.14 -0.05 -0.04 0.03 0.07 -0.09 0.10 0.28 0.06 -0.01 -0.18 0.04 -0.05 -0.01 -0.05 -0.19 0.01 0.12 -0.14 -0.09 -0.08 -0.01 -0.07 -0.04 0.20 -0.14 -0.02 -0.18 -0.30 -0.09 0.08 -0.01 0.05 -0.05 0.04 -0.01 -0.24 -0.05 0.17 -0.07 0.17 0.12 0.03 0.10 0.07 0.04 0.05 0.07 0.03 0.04 -0.09 0.03 -0.05 0.12 0.04 0.06 -0.07 0.02 -0.06 0.11 0.04 0.06 -0.07 0.02 -0.07 -0.13 0.02 -0.07 -0.10 0.02 -0.06 0.09 -0.02 -0.00 -0.02 -0.02 -0.02 0.06 -0.04 0.03 0.05 -0.08 -0.11 -0.01 -0.03 -0.01 0.12 -0.14 -0.23 -0.02 0.05 0.14 -0.04 0.09 0.23 -0.01 0.06 0.09 0.03 -0.06 0.04 -0.10 -0.27 -0.03 0.23 0.10 0.19 -0.06 0.08 -0.02 -0.09 -0.10 0.03 -0.27 0.14 -0.03 0.03 0.18 -0.13 0.12 0.03 -0.10 0.17 -0.17 -0.30 0.31 -0.01 0.11 -0.03 0.02 -0.11 -0.06 -0.06 -0.04 -0.06 0.02 -0.02 0.06 -0.08 0.05 -0.14 -0.04 0.02 0.02 -0.01 0.05 -0.09 -0.02 0.01 0.01 -0.07 0.12 0.10 -0.05 0.04 0.08 -0.03 -0.03 -0.11 -0.00 0.10 -0.01 -0.03 -0.01 0.02 0.01 0.00 0.03 0.00 -0.00 0.02 -0.01 0.08 0.06 0.03 -0.04 0.01 0.03 0.03 0.04 0.04 0.04 -0.02 0.06 0.03 -0.01 -0.01 0.01 -0.02 -0.04 -0.02 0.03 0.06 0.07 -0.00 0.01 -0.00 -0.02 -0.02 -0.00 -0.02 0.02 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.04 -0.04 0.06 0.02 -0.04 0.05 -0.12 0.02 -0.04 -0.03 0.19 -0.01 0.07 -0.17 -0.05 -0.08 -0.17 0.05 -0.10 0.41 -0.00 0.14 0.13 0.09 0.14 -0.39 -0.13 -0.17 -0.03 0.07 0.03 -0.30 0.12 -0.27 0.26 0.12 0.31 0.01 -0.11 -0.00 0.03 0.05 0.03 -0.04 -0.02 -0.01 -0.06 -0.01 0.02 -0.04 0.01 -0.15 -0.12 -0.05 0.09 -0.00 -0.05 -0.06 -0.03 -0.06 -0.08 0.03 -0.09 -0.07 -0.01 0.02 -0.03 0.05 0.11 0.01 -0.10 -0.09 -0.13 0.01 -0.02 0.00 0.03 0.03 -0.00 0.04 -0.05 -0.03 0.01 -0.01 0.03 0.05 -0.02 0.04 0.14 -0.12 -0.13 0.11 -0.10 0.21 -0.04 0.10 0.02 0.04 0.05 0.13 -0.09 0.07 -0.11 -0.07 -0.16 -0.05 0.09 0.09 0.31 0.17 -0.12 -0.01 -0.15 0.16 -0.26 0.05 -0.15 -0.04 -0.21 -0.31 -0.00 0.37 -0.14 -0.07 -0.05 0.19 0.03 -0.06 -0.12 -0.05 0.04 0.04 0.01 0.14 0.01 -0.04 0.14 -0.06 0.36 0.29 0.18 -0.17 0.01 0.11 0.11 0.10 0.14 0.17 -0.05 0.21 0.09 0.00 -0.04 0.06 -0.12 -0.26 -0.08 0.21 0.24 0.33 -0.04 0.03 -0.02 -0.06 0.00 -0.03 -0.02 0.06 0.03 -0.08 -0.06 -0.06 -0.11 -0.09 0.05 -0.13 -0.13 0.04 -0.15 -0.13 0.09 -0.04 0.02 0.08 0.00 0.06 0.06 0.02 0.00 -0.00 -0.02 -0.01 -0.01 0.03 0.06 0.06 0.03 -0.06 -0.04 0.06 0.08 -0.05 0.03 -0.02 -0.09 -0.06 -0.11 0.06 0.04 -0.06 -0.03 0.05 0.08 -0.06 -0.08 -0.05 -0.05 -0.03 -0.08 0.05 0.05 -0.01 0.10 0.19 -0.14 0.07 0.10 0.13 0.10 0.11 0.07 -0.06 0.45 0.15 0.07 -0.14 0.43 -0.11 -0.06 0.05 0.02 0.11 0.36 0.25 -0.21 -0.16 -0.17 -0.02 -0.06 -0.03 -0.04 -0.01 -0.06 -0.04 -0.10 -0.10 -0.02 0.02 -0.01 0.02 0.00 -0.06 0.04 -0.04 -0.11 0.06 -0.01 -0.01 0.00 0.02 -0.04 0.03 -0.00 0.00 0.04 0.03 0.02 0.00 -0.02 -0.01 0.05 0.01 0.06 -0.01 0.01 -0.01 0.10 0.03 0.07 -0.06 -0.02 -0.00 0.06 -0.00 0.01 0.05 0.00 -0.02 -0.01 -0.01 0.05 -0.03 0.00 -0.02 0.02 -0.06 0.03 -0.01 -0.03 0.04 0.01 -0.03 -0.10 -0.02 -0.09 0.03 0.06 0.01 -0.01 0.20 0.04 0.05 -0.06 0.17 -0.01 -0.02 0.02 -0.00 0.09 0.22 0.17 -0.13 -0.15 -0.17 -0.03 0.01 -0.02 -0.04 -0.07 0.01 -0.14 0.03 -0.04 0.02 0.07 -0.07 0.01 -0.00 0.12 -0.08 -0.09 0.15 0.02 -0.00 0.13 0.07 -0.04 0.14 -0.10 -0.00 -0.04 -0.10 -0.08 -0.05 -0.01 0.04 0.02 -0.32 -0.04 -0.25 0.01 -0.03 0.02 -0.35 -0.08 -0.23 0.22 0.05 0.07 -0.26 -0.02 -0.11 -0.26 -0.04 -0.04 -0.00 0.02 -0.11 0.02 0.04 -0.01 0.18 -0.00 0.03 -0.06 -0.03 0.04 -0.26 0.21 -0.19 -0.17 -0.38 0.01 0.06 -0.04 0.09 0.02 -0.04 0.10 -0.04 0.02 0.31 0.01 0.02 -0.04 0.15 0.28 0.18 -0.13 -0.23 -0.27 -0.01 0.07 -0.01 -0.07 -0.08 -0.01 -0.09 0.13 0.05 -0.03 0.02 -0.08 -0.07 -0.04 -0.00 -0.05 -0.07 -0.04 -0.06 -0.06 0.04 -0.10 -0.03 -0.01 0.01 0.01 0.03 0.01 -0.03 0.03 0.00 0.02 0.02 0.15 0.01 0.08 0.01 -0.03 0.02 0.13 -0.01 0.10 -0.08 0.00 -0.08 0.15 0.01 0.13 0.14 0.00 0.16 0.04 0.01 -0.03 0.02 -0.01 -0.03 0.10 0.03 0.02 -0.03 0.02 0.02 -0.18 0.18 -0.03 -0.10 -0.19 0.02 0.03 -0.01 0.09 -0.05 -0.03 0.08 -0.02 -0.02 0.27 0.03 0.01 -0.03 0.09 0.12 0.06 -0.02 -0.07 -0.10 -0.02 0.02 0.01 -0.06 0.08 -0.06 0.09 0.00 0.04 -0.11 -0.10 0.02 -0.07 -0.08 -0.13 -0.12 -0.02 -0.04 -0.13 -0.06 -0.20 0.14 0.07 0.00 0.06 0.05 -0.03 0.05 0.11 0.01 -0.01 -0.05 -0.09 -0.20 0.04 -0.10 -0.04 0.04 -0.06 -0.15 0.09 -0.12 0.10 -0.03 0.12 -0.29 -0.04 -0.30 -0.26 -0.02 -0.38 -0.06 -0.03 0.08 -0.01 -0.11 -0.14 -0.19 0.03 0.26 -0.00 0.05 -0.13 -0.10 0.13 -0.07 -0.04 -0.15 -0.18 0.13 -0.10 -0.01 0.04 -0.14 -0.09 0.06 -0.06 0.08 0.05 0.01 -0.04 0.10 0.10 0.02 0.07 0.05 -0.00 -0.04 0.11 0.15 0.20 0.66 0.20 0.14 -0.17 -0.21 0.03 -0.01 -0.04 -0.00 0.00 0.00 -0.01 0.03 0.03 -0.05 -0.01 -0.02 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.01 0.00 -0.01 0.02 0.01 0.02 0.03 0.00 0.03 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.01 0.03 -0.03 -0.00 0.02 0.03 -0.02 -0.00 -0.00 -0.02 0.01 -0.01 -0.03 0.01 -0.01 -0.05 -0.01 -0.00 0.01 -0.02 -0.03 -0.01 -0.00 0.01 0.02 0.01 0.00 0.00 0.02 -0.00 0.02 -0.02 -0.00 -0.01 0.03 0.04 0.01 -0.00 0.04 0.01 -0.03 0.12 0.10 -0.04 0.08 -0.08 -0.04 0.08 0.03 0.08 0.29 -0.18 -0.21 0.08 0.30 0.18 -0.06 -0.26 0.07 0.31 -0.11 -0.10 -0.27 0.21 -0.18 0.14 0.26 0.01 -0.08 -0.04 0.17 -0.14 -0.18 -0.02 -0.28 0.18 0.04 -0.09 -0.04 -0.07 0.08 0.20 0.07 0.03 -0.00 0.10 -0.08 -0.15 0.09 -0.05 -0.25 0.23 -0.23 -0.42 0.08 -0.04 -0.12 0.27 -0.11 -0.33 0.09 -0.03 -0.17 -0.18 -0.03 0.12 -0.20 -0.05 0.13 -0.28 -0.16 0.02 0.01 0.11 0.05 0.05 0.11 0.09 0.08 0.13 0.10 -0.01 -0.02 -0.00 -0.03 -0.03 -0.01 -0.03 0.02 0.02 -0.07 -0.03 -0.04 -0.01 0.00 -0.01 0.02 0.00 0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.01 0.02 0.00 0.01 -0.00 0.01 -0.02 0.02 0.01 -0.01 0.01 -0.00 0.02 -0.03 0.00 -0.04 -0.03 0.00 -0.06 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 0.02 -0.00 0.03 0.01 0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.01 -0.02 -0.01 0.00 0.00 -0.01 -0.01 -0.03 -0.02 0.02 0.03 0.02 0.02 -0.02 0.00 0.03 -0.00 0.01 -0.00 -0.02 -0.01 0.03 0.03 0.01 0.02 0.05 -0.13 0.20 0.06 -0.30 0.11 0.02 -0.02 -0.19 -0.02 -0.12 0.08 -0.02 0.15 0.08 -0.03 0.15 -0.15 -0.00 0.02 0.16 -0.01 0.24 -0.13 -0.07 0.01 0.15 -0.06 0.23 0.20 0.03 0.08 -0.43 -0.10 -0.09 -0.48 -0.08 -0.08 0.04 0.04 -0.10 0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.02 -0.04 0.00 -0.01 0.03 0.03 -0.02 0.01 0.00 -0.01 0.03 0.05 -0.03 0.03 -0.04 0.02 0.00 -0.01 0.04 0.03 -0.01 0.00 -0.00 -0.02 0.00 0.02 -0.01 0.01 -0.04 0.03 -0.05 0.04 -0.00 0.04 0.02 -0.04 -0.06 0.01 0.27 -0.04 -0.09 0.18 -0.08 -0.07 0.37 -0.19 -0.04 -0.05 0.10 0.07 -0.08 0.10 -0.04 -0.09 0.00 0.02 -0.16 0.48 0.07 -0.01 -0.02 0.03 -0.12 0.44 0.07 0.06 0.12 0.01 0.11 0.08 0.13 -0.21 0.06 0.02 -0.14 -0.09 -0.06 0.12 -0.11 0.17 -0.10 0.08 -0.06 0.07 -0.04 0.00 0.13 -0.08 0.04 0.22 0.05 -0.01 0.00 0.14 -0.08 -0.07 -0.01 -0.10 -0.07 0.20 -0.18 -0.03 -0.05 0.04 -0.02 -0.40 -0.47 -0.07 0.45 0.29 0.20 -0.00 -0.03 -0.01 -0.03 -0.03 -0.03 -0.04 -0.05 -0.06 -0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.03 -0.04 -0.01 -0.01 -0.02 0.03 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.02 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.03 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.00 0.04 -0.05 -0.00 -0.03 0.07 0.01 0.04 -0.36 -0.04 -0.21 -0.07 -0.01 -0.04 0.36 0.04 0.24 0.00 0.00 0.00 -0.46 -0.05 -0.30 0.47 0.05 0.30 0.00 0.00 -0.00 0.01 -0.01 0.02 -0.03 0.02 0.03 0.00 0.05 -0.04 -0.01 0.07 -0.04 -0.01 0.02 -0.03 0.03 0.00 0.02 -0.03 -0.04 -0.08 0.06 -0.07 0.10 -0.02 -0.01 0.02 0.01 0.02 0.00 -0.08 -0.01 0.02 0.04 -0.07 -0.04 -0.02 -0.16 -0.06 -0.07 -0.02 -0.01 0.01 0.03 0.00 -0.02 0.02 -0.03 0.09 -0.05 -0.19 0.08 -0.02 0.11 -0.07 -0.02 0.00 0.04 0.13 0.02 0.10 -0.11 -0.03 0.04 0.10 0.06 -0.27 0.07 -0.31 0.09 -0.09 0.02 -0.25 -0.07 -0.34 -0.09 -0.00 -0.08 -0.39 0.02 -0.17 -0.39 -0.12 -0.17 -0.02 -0.03 0.08 -0.01 0.01 -0.05 0.06 -0.06 -0.09 -0.02 -0.16 0.09 0.09 -0.27 0.11 0.04 -0.02 0.11 -0.12 0.01 -0.06 0.08 0.12 0.19 -0.19 0.19 -0.32 0.05 0.02 -0.06 0.02 -0.04 -0.03 0.19 0.02 -0.06 -0.05 0.18 0.14 0.14 0.41 0.23 0.21 0.05 0.06 0.03 -0.02 0.00 0.00 -0.02 -0.02 0.06 0.09 0.01 -0.04 -0.00 -0.07 -0.04 -0.01 -0.01 0.02 0.04 0.02 0.03 -0.03 -0.01 0.03 0.03 0.03 -0.18 0.02 -0.13 0.03 -0.03 0.01 -0.08 -0.02 -0.11 -0.04 -0.00 -0.03 -0.24 -0.01 -0.12 -0.12 -0.04 -0.06 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 -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 -0.01 0.00 0.01 -0.00 0.05 -0.00 0.02 -0.03 -0.01 -0.01 -0.01 0.02 0.06 -0.02 -0.14 -0.02 0.08 0.02 0.04 0.09 -0.32 0.08 -0.00 0.07 -0.08 0.18 -0.01 0.01 -0.12 -0.10 -0.12 0.13 0.04 0.27 0.20 0.09 -0.04 -0.15 -0.06 0.35 -0.00 0.02 0.10 0.01 0.03 0.25 0.04 0.42 0.33 -0.09 0.30 -0.06 -0.03 0.06 -0.00 0.01 0.01 0.08 0.00 -0.06 -0.06 -0.03 -0.02 0.16 -0.27 0.11 0.04 0.32 0.02 0.05 0.08 -0.00 -0.27 -0.03 -0.24 0.13 -0.20 0.44 -0.01 -0.02 0.02 0.07 0.09 -0.01 -0.15 -0.04 -0.01 -0.07 -0.07 0.09 0.01 0.33 -0.02 0.13 -0.32 -0.20 0.01 0.02 -0.04 -0.02 0.04 0.00 0.02 -0.08 -0.13 0.04 -0.03 0.15 0.01 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.02 -0.01 -0.01 -0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.04 0.02 -0.01 0.03 0.00 0.05 -0.00 -0.00 -0.00 0.01 -0.00 0.03 0.07 -0.00 -0.06 0.09 0.09 0.02 -0.32 0.52 0.00 -0.05 -0.32 0.00 -0.06 -0.03 -0.02 0.15 0.05 0.14 -0.14 0.15 -0.21 -0.02 -0.01 0.02 -0.04 -0.05 -0.03 -0.02 0.06 0.09 -0.11 -0.09 0.05 -0.04 0.31 -0.09 0.09 -0.33 -0.23 0.01 -0.02 -0.03 0.02 0.07 0.03 0.08 -0.01 -0.09 0.06 0.01 0.14 0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.03 -0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 0.07 0.02 0.05 -0.03 0.03 0.01 0.01 -0.10 0.02 0.04 0.10 -0.08 0.02 -0.01 -0.01 0.01 0.02 0.04 0.03 -0.06 -0.02 -0.00 -0.05 0.01 -0.02 -0.07 0.04 -0.06 -0.04 -0.03 -0.06 -0.01 -0.03 -0.01 0.09 -0.02 0.02 -0.04 0.10 0.25 -0.02 0.09 -0.23 -0.00 -0.01 -0.01 -0.06 0.01 -0.03 -0.06 0.01 -0.04 0.05 0.01 0.05 0.34 0.06 0.23 0.07 0.00 0.04 0.39 0.07 0.25 -0.02 -0.01 -0.02 -0.37 -0.06 -0.18 -0.37 -0.05 -0.27 0.01 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.02 0.01 -0.03 0.00 0.00 -0.19 0.08 0.43 0.18 -0.02 -0.31 0.02 0.02 -0.02 -0.29 0.12 0.29 0.29 -0.20 -0.41 0.01 -0.03 0.02 0.17 0.20 -0.02 -0.25 -0.09 -0.04 0.01 0.01 -0.00 0.01 -0.03 0.01 0.00 0.02 0.02 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.05 -0.01 -0.03 -0.01 -0.00 -0.01 -0.05 -0.01 -0.03 0.00 0.00 0.00 0.04 0.01 0.02 0.05 0.01 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.02 -0.00 0.06 0.03 -0.01 -0.04 -0.02 -0.01 -0.01 0.05 -0.01 -0.03 -0.06 0.05 -0.03 0.02 0.01 -0.01 0.00 -0.02 -0.03 0.01 -0.02 -0.03 0.04 -0.02 0.02 0.06 -0.03 0.05 0.04 0.01 0.05 0.00 0.03 0.00 -0.07 0.01 -0.03 -0.02 -0.10 -0.16 0.00 -0.06 0.13 0.03 0.01 0.03 -0.10 -0.03 -0.07 0.04 0.01 0.03 0.07 0.02 0.05 0.60 0.03 0.32 -0.04 -0.02 -0.03 -0.26 -0.01 -0.18 -0.00 0.00 -0.00 -0.39 0.01 -0.29 0.25 0.00 0.14 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 0.01 0.03 -0.00 -0.01 0.01 -0.03 -0.00 0.10 0.06 -0.04 -0.09 -0.05 -0.01 -0.03 0.08 -0.01 -0.06 -0.12 0.09 -0.06 0.03 0.01 -0.00 0.03 -0.03 -0.11 -0.01 -0.03 -0.04 0.09 -0.04 0.05 0.13 -0.04 0.10 0.09 -0.01 0.09 0.01 0.06 0.01 -0.15 0.02 -0.07 -0.04 -0.21 -0.36 0.01 -0.13 0.27 0.06 0.02 0.05 0.00 -0.02 -0.00 -0.09 -0.03 -0.07 -0.01 -0.01 -0.02 -0.01 -0.03 -0.03 0.06 0.00 0.04 0.52 0.03 0.34 -0.00 0.01 0.00 0.10 0.04 0.01 -0.34 -0.03 -0.16 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.02 0.01 0.02 0.03 -0.11 -0.04 -0.02 0.06 -0.01 0.01 -0.01 -0.06 0.02 0.03 0.02 -0.02 -0.05 -0.02 -0.04 -0.01 0.07 0.12 0.07 -0.00 0.15 0.16 0.02 -0.02 0.02 0.05 0.02 0.04 0.01 -0.04 -0.02 0.01 0.04 0.00 -0.02 -0.04 -0.03 -0.06 -0.03 0.02 0.01 0.01 -0.08 -0.01 -0.02 0.02 -0.04 0.15 0.01 0.05 -0.12 -0.05 0.06 -0.16 -0.05 -0.08 0.21 0.29 -0.03 0.18 0.01 -0.07 -0.33 0.09 -0.01 -0.01 0.02 -0.13 -0.49 0.14 -0.21 0.27 0.33 0.01 0.00 -0.01 -0.00 -0.02 -0.02 0.00 -0.01 -0.02 0.02 0.01 0.01 0.12 -0.01 -0.34 -0.13 -0.02 0.21 0.02 0.02 0.01 -0.17 0.06 0.15 0.21 -0.15 -0.19 -0.09 -0.08 -0.05 0.11 0.32 0.41 0.15 0.35 0.36 0.02 0.02 0.01 0.02 -0.01 0.03 0.05 0.05 0.06 0.00 -0.00 0.00 -0.03 0.02 -0.01 0.03 -0.03 -0.11 -0.01 -0.04 0.10 0.02 0.01 0.01 -0.00 -0.03 -0.01 -0.01 0.01 -0.00 -0.00 0.03 0.01 0.05 -0.04 -0.01 0.01 -0.03 0.00 0.06 0.05 0.01 0.00 0.00 -0.00 0.02 0.10 -0.05 0.01 -0.04 -0.04 -0.00 -0.00 0.00 0.03 -0.05 0.04 -0.03 0.03 -0.02 0.00 -0.05 -0.05 -0.13 0.00 0.33 -0.07 0.05 0.11 0.02 0.02 0.07 0.11 -0.04 -0.10 0.22 -0.14 -0.18 -0.05 0.09 -0.05 -0.25 -0.08 0.46 0.39 -0.22 -0.34 -0.02 0.01 -0.02 -0.04 0.01 -0.04 0.02 0.03 0.03 -0.01 -0.05 0.00 0.00 0.07 0.01 0.11 0.01 -0.15 0.03 -0.01 0.16 0.02 0.02 0.01 -0.01 0.01 -0.00 0.00 -0.03 -0.02 0.01 -0.02 -0.01 -0.01 0.02 0.05 -0.01 0.01 0.01 0.04 -0.06 0.03 -0.00 0.01 0.00 0.01 -0.04 0.00 -0.08 0.03 0.11 0.00 -0.00 -0.00 0.04 0.05 0.07 -0.01 0.02 0.03 -0.00 -0.04 -0.02 -0.18 0.05 0.44 0.12 -0.03 -0.18 -0.05 0.01 -0.01 0.19 -0.08 -0.30 -0.16 0.11 0.09 -0.01 -0.05 -0.11 0.16 0.29 0.31 0.28 0.22 0.14 0.01 -0.06 0.01 0.03 0.01 -0.00 -0.05 -0.11 -0.09 0.00 0.06 -0.01 0.01 -0.07 0.00 -0.14 -0.03 0.19 -0.01 0.04 -0.18 -0.03 -0.02 -0.01 0.01 0.00 0.01 -0.00 0.03 0.02 -0.01 0.01 0.01 -0.04 -0.01 -0.06 0.01 0.00 -0.01 -0.04 0.04 -0.02 0.00 -0.01 -0.00 -0.00 0.01 0.03 0.08 -0.02 -0.11 -0.00 0.00 0.00 -0.00 -0.08 -0.02 0.02 -0.01 -0.04 0.04 0.03 -0.03 -0.04 0.13 -0.11 -0.21 0.02 0.33 -0.01 0.03 0.02 -0.09 0.03 0.02 0.24 -0.17 -0.30 -0.04 0.07 0.04 -0.23 -0.21 0.07 0.01 -0.22 -0.22 0.05 -0.06 0.08 0.13 0.07 0.11 0.06 -0.16 -0.06 0.03 0.14 -0.00 -0.04 -0.14 -0.03 -0.26 -0.11 0.23 -0.04 0.01 -0.25 -0.03 -0.04 -0.01 0.01 0.00 0.01 -0.01 0.04 0.02 -0.02 0.02 0.02 0.02 -0.02 -0.08 0.01 0.01 -0.02 -0.04 0.06 -0.01 0.00 -0.01 -0.00 -0.02 -0.00 0.04 0.13 -0.03 -0.20 -0.00 0.00 0.00 0.01 0.04 0.03 0.06 -0.01 -0.05 -0.12 0.09 -0.12 0.07 -0.14 0.12 -0.07 0.62 0.07 0.04 -0.17 0.07 0.41 -0.00 0.47 -0.14 0.17 -0.17 -0.02 -0.02 0.00 0.01 0.03 0.04 -0.03 0.05 0.06 -0.00 0.00 0.02 0.00 0.03 0.00 0.07 -0.03 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 -0.02 0.02 0.03 -0.03 0.02 0.06 -0.01 0.00 0.00 0.01 -0.01 -0.04 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.00 0.00 0.01 -0.01 0.01 0.02 -0.01 0.02 -0.01 -0.01 -0.01 -0.00 0.02 0.00 0.01 -0.04 -0.00 -0.05 -0.00 0.09 -0.03 -0.00 -0.09 -0.01 0.03 -0.00 -0.03 -0.03 0.05 0.04 0.01 -0.06 0.03 -0.00 -0.05 -0.24 0.04 0.38 -0.02 -0.04 0.04 0.14 0.29 -0.29 -0.00 0.01 0.00 0.18 0.36 -0.33 -0.28 0.05 0.44 0.00 -0.00 -0.00 0.05 -0.06 0.06 -0.05 0.05 -0.05 -0.03 0.01 0.05 0.07 -0.06 -0.12 0.21 -0.14 -0.38 0.06 -0.03 -0.08 -0.30 0.19 0.55 -0.17 0.12 0.32 -0.04 0.04 -0.03 -0.17 -0.10 0.19 0.22 -0.02 -0.09 0.01 -0.03 0.01 0.03 0.02 0.02 0.06 -0.03 0.04 0.01 0.02 -0.00 -0.00 -0.02 -0.00 -0.06 -0.04 0.04 0.03 0.02 -0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.02 -0.00 -0.00 0.00 0.02 0.05 -0.04 0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.02 0.01 0.03 -0.00 -0.00 0.00 0.00 0.04 0.02 -0.03 -0.04 -0.00 0.08 -0.05 -0.08 -0.24 0.18 0.37 -0.27 0.08 0.49 0.04 0.00 -0.09 -0.25 0.11 0.24 -0.16 0.10 0.37 -0.02 -0.02 0.02 -0.02 -0.01 0.02 -0.11 0.01 0.04 -0.02 0.05 -0.05 0.09 -0.01 0.12 -0.11 0.09 -0.02 0.04 -0.00 0.04 -0.03 -0.02 -0.02 0.09 0.07 -0.06 -0.04 -0.05 0.02 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 0.04 0.00 0.00 -0.01 -0.01 -0.06 0.05 -0.00 -0.00 0.01 0.03 0.06 -0.05 0.06 -0.02 -0.09 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.02 -0.04 0.02 0.07 -0.07 0.02 0.12 0.00 -0.00 -0.02 -0.05 0.02 0.04 -0.03 0.02 0.04 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.03 0.00 0.01 0.02 -0.00 0.01 0.01 -0.01 0.00 0.04 0.02 0.05 -0.02 -0.00 -0.02 0.01 0.01 0.01 -0.05 -0.04 0.03 0.01 0.02 0.00 0.00 0.00 -0.02 0.03 -0.04 -0.04 0.00 0.06 -0.01 -0.01 -0.01 0.02 0.24 -0.11 -0.38 -0.02 -0.01 0.03 0.12 0.35 -0.25 0.02 0.01 -0.03 -0.16 -0.39 0.31 -0.27 0.09 0.42 -0.01 -0.01 0.02 0.01 -0.03 0.01 0.01 -0.02 -0.03 -0.04 0.05 0.03 0.04 0.01 -0.14 0.15 0.01 -0.27 -0.00 0.01 0.05 0.11 -0.05 -0.14 0.07 -0.05 -0.02 -0.00 0.01 -0.01 -0.01 0.00 0.03 0.07 -0.00 -0.02 -0.14 0.06 -0.10 0.03 0.05 0.08 -0.37 -0.04 -0.35 0.17 0.02 0.12 -0.08 -0.11 -0.06 0.31 0.28 -0.14 -0.17 -0.18 -0.01 -0.02 -0.01 0.08 0.00 -0.03 -0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.01 0.18 -0.09 -0.24 0.00 0.02 -0.01 0.11 0.22 -0.13 -0.00 0.00 0.00 -0.00 -0.07 0.02 -0.07 0.05 0.10 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.01 -0.02 -0.00 0.00 -0.02 0.02 -0.03 -0.02 0.06 0.00 -0.01 0.00 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 0.00 0.01 0.02 -0.01 0.02 -0.05 -0.00 -0.07 0.14 0.02 0.13 -0.03 -0.02 -0.04 0.06 0.06 -0.09 0.10 0.03 -0.16 0.34 0.29 -0.22 -0.12 -0.10 0.22 -0.02 0.01 0.03 -0.02 -0.03 0.03 0.04 -0.06 -0.05 0.18 -0.07 -0.29 0.00 0.09 -0.02 0.15 0.39 -0.28 -0.03 -0.01 0.05 0.13 0.15 -0.22 0.15 0.04 -0.25 0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.02 -0.02 -0.04 -0.01 0.02 0.01 -0.02 0.05 -0.03 0.04 0.02 -0.06 0.01 0.01 0.02 0.05 -0.01 -0.03 0.03 -0.03 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.04 0.55 0.01 0.62 -0.29 -0.01 -0.20 -0.05 -0.04 0.01 0.00 0.04 0.01 -0.14 -0.16 -0.00 0.24 0.19 0.00 0.00 -0.02 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.00 -0.04 0.02 0.05 -0.01 0.00 0.01 0.01 0.05 -0.04 -0.00 -0.00 0.00 -0.02 -0.03 0.03 0.02 -0.01 -0.04 0.00 -0.00 -0.00 -0.02 0.03 -0.02 -0.06 0.02 -0.05 0.02 -0.02 0.01 -0.01 -0.00 0.04 0.01 -0.10 -0.01 0.02 -0.01 0.04 0.15 -0.02 0.01 0.06 -0.07 0.08 0.01 -0.01 0.01 0.04 0.03 -0.03 -0.06 0.00 0.02 -0.08 0.01 -0.04 -0.15 0.07 -0.17 0.26 0.08 0.23 0.11 -0.02 0.03 -0.09 -0.00 0.01 -0.34 -0.32 0.03 0.43 0.27 0.05 0.04 -0.06 -0.07 0.01 0.03 -0.02 0.01 0.01 -0.02 -0.01 0.03 0.01 -0.12 0.08 0.18 -0.03 -0.01 0.05 0.10 0.22 -0.19 -0.04 -0.01 0.06 -0.07 -0.12 0.12 0.10 -0.06 -0.15 0.02 0.01 -0.03 0.01 -0.02 0.01 0.03 -0.01 0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.06 0.01 -0.01 0.01 -0.02 -0.08 0.01 -0.01 -0.03 0.04 -0.04 -0.01 0.01 -0.00 -0.02 -0.01 0.02 0.03 -0.00 -0.01 0.03 -0.00 0.02 0.05 -0.03 0.06 -0.13 -0.04 -0.11 -0.05 0.01 -0.01 0.01 -0.01 0.04 0.10 0.10 0.04 -0.28 -0.19 0.06 0.05 0.06 -0.08 0.02 0.11 -0.04 0.08 -0.04 -0.11 -0.06 -0.06 0.10 0.32 0.02 -0.52 -0.06 -0.02 0.10 0.12 0.03 -0.19 -0.17 -0.15 0.29 0.07 0.29 -0.14 0.05 -0.09 -0.06 0.08 0.06 -0.14 0.02 -0.04 0.03 0.07 -0.01 0.08 -0.02 0.02 -0.02 0.04 -0.03 -0.04 -0.03 0.11 0.03 -0.03 0.01 -0.05 -0.20 0.02 -0.04 -0.08 0.11 -0.13 -0.01 0.01 -0.01 -0.04 -0.03 0.03 0.06 -0.00 -0.02 0.03 0.02 0.02 -0.10 -0.09 -0.09 -0.18 -0.07 -0.20 -0.02 -0.01 -0.01 -0.01 0.01 0.01 0.12 0.06 -0.08 -0.08 -0.05 0.03 0.02 -0.04 -0.01 0.02 -0.02 -0.04 -0.01 -0.04 0.01 0.01 0.01 -0.02 -0.23 0.07 0.38 -0.02 -0.01 0.03 0.16 0.34 -0.29 -0.03 0.09 0.03 -0.11 -0.30 0.21 0.21 -0.10 -0.31 0.00 -0.01 -0.01 0.03 -0.05 0.03 0.09 -0.01 0.12 -0.03 0.02 -0.03 0.05 -0.05 -0.06 -0.04 0.16 0.06 -0.04 0.02 -0.07 -0.29 0.02 -0.06 -0.12 0.16 -0.19 -0.01 0.02 -0.01 -0.05 -0.03 0.03 0.09 -0.00 -0.03 -0.01 0.05 0.00 -0.21 -0.11 -0.19 -0.20 -0.06 -0.25 0.05 -0.06 0.02 -0.04 0.03 -0.01 -0.30 -0.29 0.00 0.34 0.23 -0.00 0.00 -0.03 -0.01 -0.03 0.03 0.04 0.00 0.06 -0.01 -0.00 0.02 0.00 0.10 -0.02 -0.16 -0.00 0.02 0.00 -0.09 -0.16 0.16 0.03 -0.09 -0.03 0.05 0.16 -0.10 -0.11 0.06 0.16 -0.00 0.00 0.01 -0.02 0.02 -0.01 0.02 0.11 0.02 0.01 -0.03 -0.01 0.15 -0.19 0.07 -0.10 -0.18 0.09 0.00 -0.02 0.00 -0.02 0.02 0.10 -0.00 0.03 -0.11 0.00 -0.01 0.00 0.03 0.03 -0.04 -0.00 -0.02 -0.01 -0.02 -0.01 -0.02 -0.04 0.06 -0.08 -0.27 -0.03 -0.17 0.04 -0.03 0.05 0.04 0.02 -0.06 -0.57 -0.43 0.21 -0.02 -0.04 -0.02 -0.07 0.19 0.04 0.07 -0.04 -0.10 -0.02 -0.12 0.06 -0.03 -0.12 0.07 0.02 -0.03 -0.04 0.07 -0.05 -0.10 0.02 -0.02 -0.03 -0.05 0.16 0.05 0.04 0.07 -0.08 -0.04 -0.02 0.05 0.00 0.00 -0.01 -0.04 0.05 -0.03 0.00 0.21 -0.01 0.02 -0.06 -0.01 0.29 -0.38 0.18 -0.21 -0.42 0.16 0.01 -0.05 0.01 0.07 0.03 0.23 0.03 -0.01 -0.15 0.01 -0.01 0.01 0.06 0.04 -0.06 -0.05 -0.02 0.00 0.01 -0.06 0.00 0.02 0.07 -0.05 -0.41 -0.12 -0.29 -0.00 0.00 0.00 -0.00 0.00 0.01 0.12 0.06 -0.07 -0.09 -0.06 0.03 0.02 -0.08 -0.02 -0.03 0.01 0.04 0.01 0.04 -0.02 0.01 0.05 -0.03 0.00 0.01 0.01 -0.03 0.02 0.04 -0.00 0.02 0.00 0.02 -0.06 -0.02 -0.02 -0.03 0.03 0.02 0.01 -0.03 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.03 0.02 0.00 0.01 -0.01 0.10 -0.10 0.06 -0.07 -0.12 0.04 -0.00 -0.01 -0.00 -0.02 0.00 0.02 -0.01 0.02 -0.05 0.00 -0.00 0.00 0.02 0.02 -0.03 0.03 -0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.23 0.10 0.20 -0.15 -0.12 -0.02 0.00 -0.03 -0.09 -0.08 0.08 0.42 0.31 -0.13 0.45 0.43 -0.22 0.02 0.05 -0.01 0.03 0.00 -0.06 -0.02 -0.01 0.02 -0.03 -0.04 0.05 -0.03 0.03 0.06 0.04 -0.02 -0.05 -0.02 -0.03 0.06 -0.01 0.02 0.02 0.01 0.07 -0.02 -0.08 0.02 0.13 0.00 0.00 -0.00 0.01 -0.01 0.01 0.04 0.00 0.04 -0.01 -0.00 -0.00 0.01 -0.01 -0.05 0.00 0.09 0.02 -0.00 0.00 -0.01 -0.13 -0.02 -0.04 -0.05 0.09 -0.11 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.09 -0.04 0.16 0.61 -0.15 -0.34 0.36 0.45 -0.00 0.00 -0.01 -0.02 -0.02 0.02 0.12 0.11 -0.02 0.13 0.10 -0.04 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.02 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.02 0.01 0.04 -0.00 0.00 0.00 -0.09 -0.02 0.06 0.01 0.02 0.01 0.02 -0.01 -0.01 -0.07 0.09 -0.12 0.02 0.13 0.06 0.01 -0.00 -0.01 -0.00 0.04 0.09 0.07 -0.08 0.01 -0.03 -0.01 0.02 0.30 0.33 -0.51 0.63 -0.17 -0.15 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -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 -0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.01 -0.02 0.01 0.01 -0.10 0.01 -0.02 0.09 -0.02 0.17 -0.14 0.18 -0.15 -0.26 -0.02 -0.07 0.04 -0.07 0.48 0.18 0.20 0.20 -0.47 0.33 -0.01 0.00 0.00 -0.00 0.01 -0.03 0.07 -0.01 -0.01 0.04 0.03 0.03 -0.07 0.12 -0.16 -0.22 0.10 0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.05 -0.05 0.00 0.04 -0.04 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.02 0.02 0.01 0.01 -0.01 0.00 0.03 -0.01 0.00 -0.01 -0.00 0.00 0.03 -0.01 -0.02 0.02 0.03 -0.00 0.00 0.00 0.00 -0.02 0.02 0.06 -0.04 0.05 -0.02 0.10 -0.03 0.30 -0.28 0.23 -0.23 -0.36 0.03 -0.01 0.01 -0.02 -0.13 -0.02 -0.08 -0.05 0.08 -0.07 -0.01 0.00 -0.00 0.01 0.02 -0.03 0.08 -0.01 -0.01 -0.07 -0.02 -0.07 0.14 -0.05 0.22 0.38 0.03 0.22 -0.00 0.01 -0.00 0.02 -0.02 -0.03 -0.09 0.16 0.22 0.12 -0.07 0.16 -0.02 0.05 0.02 -0.03 -0.04 0.05 0.04 0.01 -0.06 0.04 0.02 -0.06 0.08 -0.08 -0.11 -0.04 -0.03 0.06 -0.02 -0.14 0.05 -0.01 0.05 0.01 -0.01 -0.14 0.04 0.08 -0.08 -0.11 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.03 0.02 -0.02 0.01 -0.05 0.02 -0.16 0.15 -0.13 0.12 0.20 -0.01 -0.01 0.00 -0.01 0.16 0.05 0.09 0.06 -0.13 0.09 0.01 -0.00 -0.00 -0.01 -0.02 0.04 -0.06 0.01 0.01 0.05 0.01 0.04 -0.10 0.05 -0.17 -0.28 -0.00 -0.13 0.00 -0.01 -0.00 -0.03 -0.05 0.03 0.08 -0.10 -0.13 0.16 0.30 -0.33 -0.03 0.13 0.03 -0.05 -0.07 0.09 0.07 0.02 -0.11 0.06 0.02 -0.10 0.13 -0.15 -0.18 -0.05 -0.07 0.10 -0.05 -0.31 0.13 -0.03 0.10 0.02 -0.02 -0.24 0.07 0.11 -0.15 -0.15 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.02 0.00 0.01 -0.03 0.01 -0.09 0.08 -0.08 0.07 0.12 0.00 -0.01 0.00 -0.01 0.11 0.04 0.07 0.04 -0.10 0.05 0.01 0.00 -0.00 -0.01 -0.02 0.03 -0.04 0.01 0.01 0.03 0.00 0.02 -0.04 -0.01 -0.06 -0.12 -0.03 -0.10 -0.01 -0.01 -0.01 -0.02 -0.02 -0.07 -0.11 0.48 0.43 0.43 -0.14 0.50 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -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 -0.02 -0.01 0.08 0.12 0.15 0.00 -0.09 0.00 -0.11 0.06 -0.24 0.10 0.32 0.07 -0.09 0.02 -0.09 0.34 0.19 0.25 0.15 -0.37 0.07 0.04 0.01 -0.03 -0.07 -0.11 0.14 -0.17 0.07 0.02 -0.10 -0.06 -0.10 0.14 -0.10 0.24 0.36 -0.05 0.13 0.01 0.02 0.01 0.02 0.01 0.01 0.02 -0.07 -0.05 -0.13 -0.03 -0.06 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 0.03 0.02 -0.04 -0.02 -0.03 -0.04 -0.03 -0.02 -0.05 -0.10 -0.06 0.16 0.08 -0.08 -0.12 0.02 0.13 -0.06 0.02 0.16 -0.06 -0.26 0.03 0.41 0.08 -0.07 -0.11 -0.16 -0.29 0.29 -0.11 -0.09 0.18 -0.16 -0.28 0.30 -0.22 0.02 0.35 0.02 0.02 -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 0.01 0.00 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.00 0.05 0.01 -0.06 -0.11 -0.12 0.13 0.09 -0.35 -0.08 -0.11 0.16 0.15 -0.00 0.25 -0.04 0.02 -0.24 0.00 0.15 0.09 -0.24 0.12 -0.20 -0.15 -0.16 -0.10 0.26 -0.12 0.39 0.12 0.14 -0.00 -0.22 -0.14 -0.15 0.24 0.01 -0.02 -0.01 -0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.01 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.03 -0.02 -0.01 0.04 0.03 0.02 0.02 0.11 0.10 -0.18 -0.17 -0.02 0.28 -0.13 -0.20 0.23 0.13 0.19 -0.23 0.18 -0.16 -0.27 0.16 0.02 -0.26 0.07 0.30 -0.16 -0.10 -0.08 0.18 -0.06 -0.31 0.13 -0.16 0.15 0.22 0.01 0.01 -0.02 0.42 0.07 -0.30 0.01 0.05 0.06 -0.04 -0.06 0.04 -0.06 -0.06 0.11 0.10 0.07 -0.09 -0.07 -0.00 -0.01 0.14 0.00 -0.05 -0.12 0.04 0.04 -0.34 -0.06 0.24 -0.08 0.30 -0.35 0.33 -0.32 0.09 -0.02 -0.01 -0.02 0.04 -0.01 0.08 0.07 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 0.04 0.04 0.72 -0.27 -0.57 -0.07 -0.20 0.15 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.04 0.02 0.02 -0.03 -0.10 0.06 -0.00 -0.00 -0.00 0.01 -0.04 -0.06 0.25 -0.19 0.23 -0.39 0.69 0.45 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.06 0.05 0.18 -0.08 -0.14 0.24 0.77 -0.52 0.00 0.00 0.00 0.00 -0.01 -0.01 0.03 -0.03 0.03 -0.05 0.09 0.06 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.05 -0.01 -0.44 -0.44 -0.08 0.26 -0.08 0.18 -0.04 -0.00 -0.02 0.01 -0.33 0.12 0.48 0.36 0.13 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.05 0.01 0.43 0.43 0.09 -0.27 0.09 -0.18 -0.04 0.00 -0.02 0.02 -0.35 0.13 0.47 0.35 0.13 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.06 0.06 -0.03 0.57 -0.45 0.57 0.16 -0.28 -0.19 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.06 -0.01 0.04 0.57 -0.39 0.10 -0.01 0.48 -0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 0.04 -0.06 -0.05 0.00 -0.01 -0.00 -0.00 -0.18 0.04 -0.00 0.02 -0.00 -0.43 0.62 0.57 0.00 0.00 -0.00 -0.04 0.05 0.05 -0.01 -0.23 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.08 0.02 0.01 -0.01 -0.01 -0.01 0.02 0.01 0.02 0.92 -0.19 -0.00 0.00 0.00 -0.09 0.13 0.12 -0.00 -0.00 0.00 0.12 -0.17 -0.16 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.04 -0.05 -0.05 0.01 0.27 -0.06 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.44 0.61 0.59 0.00 0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.04 0.01 -0.00 -0.08 0.02 -0.10 0.15 0.14 -0.00 0.00 0.00 0.01 -0.02 -0.01 0.04 0.94 -0.21 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.02 0.01 -0.02 -0.03 -0.09 0.02 -0.05 0.80 -0.31 0.39 0.29 0.11 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.09 -0.00 -0.05 0.31 0.32 0.06 0.70 -0.24 0.49 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.02 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.05 0.07 -0.05 0.58 -0.40 0.09 -0.00 -0.47 0.51 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 6 6 6 1 1 6 1 1 6 1 1 6 1 1 8 6 1 1 6 6 6 6 1 6 1 6 1 1 9 298.150 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 6 6 6 1 1 6 1 1 6 1 1 6 1 1 8 6 1 1 6 6 6 6 1 6 1 6 1 1 9 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 15.99491 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 18.99840 205.10287 1813.55773 4547.11618 5461.65878 0.78113 0.00721 -0.62432 0.59647 0.28694 0.74959 -0.18455 0.95792 -0.21984 asymmetric 1 0.04776 0.01905 0.01586 0.99514 0.39690 0.33044 628120.8 29.08 59.61 81.34 120.34 187.01 202.98 288.46 345.66 445.52 475.04 485.93 514.21 586.02 622.71 624.92 647.51 703.97 739.62 792.82 865.32 870.50 934.53 1022.82 1047.71 1130.62 1143.09 1224.79 1242.17 1251.36 1264.86 1370.86 1388.14 1407.02 1410.20 1449.25 1454.07 1480.92 1484.30 1491.14 1511.71 1520.94 1560.60 1613.30 1655.71 1661.89 1688.93 1716.58 1786.79 1822.22 1860.86 1861.79 1891.86 1910.44 1965.22 1968.98 2023.34 2039.17 2046.90 2092.31 2100.96 2114.31 2134.73 2181.03 2257.94 2420.05 2452.57 2464.48 4288.87 4400.22 4431.01 4492.10 4502.49 4529.90 4581.24 4617.23 4619.59 4653.53 4657.61 4668.09 4684.25 4753.02 0.239239 0.252822 0.253766 0.197365 -677.640369 -677.626786 -677.625841 -677.682242 158.648 52.638 118.706 0.000 0.000 0.000 0.889 2.981 41.859 0.889 2.981 32.177 156.871 46.676 44.670 1 0.593 1.986 6.613 2 0.594 1.981 5.190 3 0.596 1.975 4.575 4 0.601 1.960 3.804 5 0.612 1.923 2.946 6 0.615 1.912 2.789 7 0.638 1.839 2.129 8 0.657 1.779 1.801 9 0.699 1.655 1.364 10 0.713 1.615 1.259 11 0.718 1.600 1.223 12 0.733 1.560 1.133 13 0.772 1.454 0.936 14 0.794 1.399 0.850 15 0.795 1.395 0.845 16 0.809 1.361 0.796 17 0.845 1.274 0.685 18 0.869 1.219 0.624 19 0.906 1.137 0.542 20 0.960 1.029 0.447 21 0.964 1.021 0.441 0.165320e-90 -90.781675 -209.032533 0.182113e+20 19.260341 44.348575 0.656581e+05 4.817288 11.092217 0.100000e+01 0.000000 0.000000 0.115455e+09 8.062411 18.564388 0.240238e+07 6.380642 14.691970 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.9732 -5.5290 -0.1320 6.8098 -75.9243 -64.8159 -76.5691 -7.5251 2.5573 8.4423 -3.4878 7.6205 -4.1327 -7.5251 2.5573 8.4423 310.5075 473.8798 38.1502 107.1647 204.7627 8.7710 91.9758 170.4811 -27.1883 -17.4417 -2509.8626 -3321.0201 -971.9437 -1305.4700 109.7698 -1123.3488 62.6617 103.9247 -42.1933 -1128.1586 -584.6029 -779.1890 24.6155 100.0381 -422.9246 0 -677.8796075 2.556E-9 1.824E-6 0.2392386 0.252822 -677.6267855 -677.6258414 -677.6822422 -2.5931183,5.6656885,-3.0725702,-5.5947352,1.9012791,6.2766512 C01 [X(C13H14F1O1)] 3.5657339 2.0002405 0.2311376 -0.5865491 0.1173896 0.5824059 0.2690893 -0.2217785 -0.3839927 0.8074927 -0.2533631 -1.2056918 0.7532131 -0.14626 -0.5715714 -0.0913081 0.7064812 0.2331938 -0.3995926 0.3626592 1.2389745 -0.1715206 0.1059635 0.1859271 -0.3077361 -0.0857463 0.4524411 0.017758 -0.158536 0.0255181 0.1013127 -0.0354036 -0.0437844 -0.0318621 0.1348005 0.0333293 0.0137358 0.0497479 0.0361876 0.0946666 0.0266221 -0.0309263 0.0112792 0.1439347 0.0151732 -0.0092887 0.0287282 0.1446913 -0.2912074 0.0230852 0.3427251 -0.1812376 0.0474096 0.0741225 -0.2942208 0.0516328 0.0697851 0.1271239 -0.0319624 -0.0083298 0.0241765 0.0482604 0.0257228 -0.0217427 0.0210684 0.1235931 0.0443931 -0.0005574 0.0085558 0.058065 0.050456 -0.031552 0.0154719 -0.0017623 0.1520156 0.514443 -0.0171327 -0.4100089 0.1564115 0.0355769 -0.2089 -0.1550395 -0.0032606 0.2238132 0.1009209 0.011158 0.020836 0.0345833 0.1156922 0.0644446 -0.00873 0.0227405 0.1391553 0.1049825 0.0457527 -0.0070902 -0.0060828 0.1343057 0.0280081 -0.0088955 0.0562502 0.1173967 0.7935628 0.2032948 0.4748793 -0.2099056 -0.1682012 -0.4180539 0.3865478 -0.0926233 0.3105433 -0.0502743 -0.0939367 -0.1509165 0.0574802 0.1200251 -0.0342242 0.060017 -0.0697026 -0.0107337 0.1293795 -0.0866637 -0.0892624 0.0587287 0.0814835 0.0753695 -0.0361146 0.0388045 -0.0021917 -1.3487371 -0.4928959 -0.3238032 -0.2156412 -0.7124681 0.0248372 -0.3985374 -0.0962094 -0.8168393 0.995111 0.4421998 0.0039187 0.4535413 0.7020836 0.1908937 0.0046981 0.0585513 0.6501927 -0.0504975 -0.0218362 -0.0460399 0.0001084 -0.0065264 0.1325626 -0.0192702 0.0471602 -0.0341753 -0.0460016 0.0446793 0.0865029 -0.0069256 -0.098296 -0.1656314 0.0315621 -0.0420281 -0.0154188 -0.2474521 -0.0204314 -0.0458094 0.0420104 -0.1965061 -0.1599844 0.0314194 -0.0314438 -0.1648729 -0.0862151 -0.0757272 -0.0955141 -0.0707932 0.0613334 -0.0424252 -0.1289011 0.0361476 0.0067206 -0.0881868 -0.0023537 -0.0845058 -0.0325969 0.1413366 0.0639385 -0.0795343 -0.0374303 0.047676 -0.1752342 -0.0071336 -0.0101247 -0.1632421 -0.1639328 0.2314269 -0.0412219 -0.0260516 -0.1909651 0.1678589 -0.0070227 0.0103767 -0.0054531 -0.0538987 0.0338548 0.0304865 0.0366758 0.0969519 -0.2050293 -0.0668958 0.065639 0.0656845 -0.035389 -0.148273 0.0494285 0.0771887 -0.254506 0.094313 0.0639213 0.0729333 0.0440048 0.0519592 -0.0558641 0.0687773 -0.0752667 0.0425466 0.6046673 0.2245495 -0.6382475 0.2676228 0.5255717 -0.4092789 -0.6950027 -0.4048116 1.2690133 0.128551 0.0386615 0.0698856 0.0404174 0.0694938 -0.0501665 0.0785898 -0.044702 0.0665283 0.1532299 -0.010472 0.0304543 -0.014662 -0.011169 0.0450557 0.0378187 0.0485102 0.1157051 -0.5608242 -0.2305921 0.6008947 -0.245757 -0.4162921 0.3839717 0.6622883 0.4013262 -1.1816138 165.2860708|3.6031667|177.6288898|-43.178198|-2.5302825|179.7271464 0.000000276 0.000001104 -0.000002086 -0.000000854 0.000001037 -0.000002619 -0.000001479 0.000000867 -0.000002535 -0.000001663 0.000001264 -0.000003670 -0.000002218 0.000000185 -0.000001768 0.000000646 0.000001782 -0.000003162 0.000001580 0.000001918 -0.000002981 0.000000578 0.000002300 -0.000004362 0.000001340 0.000000804 -0.000000881 0.000000814 0.000000282 -0.000000090 0.000002491 0.000001069 -0.000000651 -0.000001342 0.000000437 -0.000001814 -0.000001742 0.000000655 -0.000002516 -0.000000148 0.000000481 -0.000001095 -0.000002331 -0.000000390 -0.000000712 -0.000002119 -0.000000904 0.000000622 -0.000003186 -0.000001550 0.000001187 -0.000002362 -0.000000911 0.000000404 -0.000000649 -0.000000938 0.000001569 -0.000000217 -0.000001001 0.000002011 0.000000378 -0.000000927 0.000002093 0.000001245 -0.000001001 0.000002814 -0.000000987 -0.000001096 0.000001604 0.000001816 -0.000000894 0.000002958 0.000000061 -0.000000859 0.000001771 0.000002233 -0.000000904 0.000003300 0.000001605 -0.000001056 0.000003137 0.000002631 -0.000000830 0.000003337 0.000003607 -0.000000925 0.000004134 191.13690319999995 AuxInfo=1/0/N:1;2;3;6;9;12;16;19;20;21;22;24;26;29;15;4;5;7;8;10;11;13;14;17;18;23;25;27;28/rA:29nC0C0C0H0H0C0H0H0C0H0H0C0H0H0O0C0H0H0C0C0C0C0H0C0H0C0H0H0F0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6874,-.3552,.9232;1.3664,-.9324,-.5018;.9077,.449,-.3698;1.6781,1.2178,-.2281;.0463,.7479,-.9718;2.0055,-1.1487,.7939;2.0636,-2.1692,1.1821;2.8657,-.5117,1.0346;-.4142,-.575,1.6597;-1.3074,.0369,1.5173;-.4133,-1.3149,2.4631;.7955,-1.9723,-1.3838;1.6532,-2.286,-2.0196;.5269,-2.8558,-.7777;-.2603,-1.4714,-2.1289;-1.2392,-2.4336,-2.4884;-1.9178,-1.9062,-3.1724;-.7793,-3.2669,-3.0467;-1.9894,-2.9538,-1.2834;-2.6273,-2.0491,-.4234;-2.0389,-4.3174,-.9842;-3.3001,-2.4915,.7113;-2.5995,-.9804,-.6495;-2.7147,-4.7807,.1452;-1.5399,-5.0357,-1.6395;-3.3319,-3.8571,.9772;-3.8025,-1.7969,1.3866;-2.7586,-5.8433,.3881;-3.9757,-4.2891,2.0649;