Gaussian 16 GINC-NODE06 ERICK_004 1ac EM64L-G16RevC.01 11-Oct-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 33 33 63 63 318 (5D, 7F) def2SVP 93 93 C1[X(C13H16FNO2)] C1[X(C13H16FNO2)] RM06L def2SVP FOpt #p opt freq scrf=(smd,solvent=acetonitrile) def2svp gfinput iop(6/7=3) m06l scf=(tight,save) 221.1430031999999 0 1 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /opt/ohpc/pub/apps/gaussian/Gaussian16/g16/l1.exe "/scratch/local/Gau-1843700.inp" -scrdir="/scratch/local/" chk=R2F_1ac.chk mem=14GB nprocshared=8 #p opt freq scrf=(smd,solvent=acetonitrile) def2svp gfinput iop(6/7=3) 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=10,25=1,30=1,70=32201,71=1,72=2,74=-53/1,2,3 4//1 5/5=2,32=2,36=1,38=5,53=2/2 6/7=3,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,70=32205,71=1,72=2,74=-53/1,2,3 4/5=5,16=3,69=1/1 5/5=2,32=2,36=1,38=5,53=2/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=3,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 1ac 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 12 12 12 12 12 12 1 12 16 14 16 12 1 1 12 12 12 12 1 1 12 1 1 1 1 1 1 1 1 1 1 1 19 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 18.9984033 0 0 0 0 0 0 1 0 0 2 0 0 1 1 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/ohpc/pub/apps/gaussian/Gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 1 1 2 2 3 3 4 4 5 5 6 8 8 8 10 10 11 12 12 12 15 15 16 16 16 17 17 17 18 18 18 21 21 2 6 15 3 32 4 33 5 30 6 31 7 9 10 15 11 28 12 13 14 29 16 17 18 19 20 21 22 23 21 24 25 26 27 1.4068 1.4024 1.5167 1.3868 1.07 1.395 1.35 1.3928 1.07 1.3903 1.07 1.0916 1.2183 1.3621 1.5389 1.3745 1.0205 1.4227 1.1022 1.101 1.0962 1.5586 1.5567 1.5204 1.1031 1.0991 1.5215 1.1008 1.0982 1.5202 1.1036 1.0997 1.0996 1.1033 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 9 9 10 8 8 11 10 11 11 11 13 13 14 1 1 1 8 8 16 15 15 15 18 18 19 15 15 15 21 21 22 16 16 16 21 21 24 17 17 17 18 18 26 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 10 10 10 11 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 21 21 21 21 21 21 6 15 15 3 32 32 4 33 33 5 30 30 6 31 31 5 7 7 10 15 15 11 28 28 12 13 14 29 14 29 29 8 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 21 24 25 24 25 25 18 26 27 26 27 27 118.3058 118.9902 122.5711 121.4236 119.6393 118.9371 118.6902 121.3649 119.945 121.4746 119.2627 119.2627 118.9984 119.8423 121.1592 121.1031 120.3401 118.5556 123.1231 124.3609 112.4656 120.1434 122.429 114.735 111.0431 111.4713 111.5778 105.9319 109.5913 109.0575 109.101 111.3009 115.1856 109.1241 106.6743 110.1446 104.1322 105.6294 108.771 112.9431 108.8205 114.8651 105.6791 105.6609 109.1351 110.9422 109.5694 114.0989 107.3715 102.4064 110.4499 112.8646 109.8767 114.104 107.13 103.0064 112.8428 110.1211 114.0304 109.6546 107.1594 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 6 6 15 15 2 2 15 15 2 2 2 6 6 6 1 1 32 32 2 2 33 33 3 3 30 30 4 4 31 31 9 9 15 15 9 9 9 10 10 10 8 28 10 10 10 1 1 1 8 8 8 17 17 17 1 1 1 8 8 8 16 16 16 15 15 15 19 19 19 20 20 20 15 15 15 22 22 22 23 23 23 16 16 16 24 24 24 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 11 11 11 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 2 2 2 2 6 6 6 6 15 15 15 15 15 15 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 10 10 10 10 15 15 15 15 15 15 11 11 12 12 12 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 3 32 3 32 5 7 5 7 8 16 17 8 16 17 4 33 4 33 5 30 5 30 6 31 6 31 1 7 1 7 11 28 11 28 1 16 17 1 16 17 12 12 13 14 29 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 21 24 25 21 24 25 21 24 25 18 26 27 18 26 27 18 26 27 17 26 27 17 26 27 17 26 27 -0.7276 179.1887 -176.6471 3.2691 0.5752 -179.0087 176.3397 -3.2442 -43.5204 -165.0997 78.2444 140.743 19.1637 -97.4923 0.3222 -179.7018 -179.5946 0.3814 0.2533 -179.7467 -179.7231 0.2769 -0.3996 179.5659 179.6004 -0.4341 -0.0267 179.5644 -179.9917 -0.4006 6.5304 166.9511 -170.9871 -10.5665 130.3511 -103.2367 9.1812 -52.1675 74.2447 -173.3374 78.8848 -82.97 61.0579 -61.8318 179.5582 -104.4422 138.8853 21.8965 131.5087 14.8362 -102.1526 15.0123 -101.6602 141.351 135.734 17.9928 -100.1173 -101.8042 140.4546 22.3445 12.2454 -105.4959 136.394 -36.5815 80.3915 -159.7142 80.0574 -162.9696 -43.0753 -161.7367 -44.7637 75.1306 -34.9558 -158.3785 81.9335 82.4936 -40.9291 -160.617 -157.1 79.4773 -40.2106 44.159 166.7898 -73.0608 -73.2239 49.4068 169.5563 166.4534 -70.9158 49.2336 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 335 A 318 A 537 335 1255.6536326018 33 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 8 out of a maximum of 195 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00332 0.00375 0.00675 0.00753 0.00995 0.01425 0.01526 0.01844 0.02049 0.02081 0.02127 0.02157 0.02169 0.02181 0.02194 0.02202 0.02212 0.02220 0.02428 0.04074 0.04354 0.04450 0.04964 0.05204 0.05267 0.05372 0.05651 0.06262 0.06433 0.06827 0.06891 0.07243 0.07307 0.08449 0.09236 0.09492 0.10020 0.10636 0.11131 0.11972 0.14163 0.15572 0.15953 0.16000 0.16001 0.16004 0.16071 0.16241 0.18361 0.20387 0.20597 0.21901 0.22641 0.23648 0.24727 0.25041 0.25129 0.25498 0.25947 0.26544 0.28554 0.28909 0.29054 0.29506 0.31891 0.33265 0.33315 0.33335 0.33362 0.33436 0.33583 0.33597 0.33719 0.33750 0.33891 0.34110 0.34249 0.36765 0.37153 0.37278 0.38992 0.42050 0.42269 0.43772 0.44339 0.45650 0.47203 0.47753 0.49588 0.50555 0.51022 0.53384 0.95521 -6.31683402e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 2.65192 2.64715 2.87399 2.62060 2.06611 2.62647 2.54062 2.63199 2.06227 2.63875 2.06458 2.06308 2.30379 2.57415 2.90540 2.59809 1.92805 2.68774 2.08298 2.08057 2.07167 2.94756 2.93942 2.87345 2.08484 2.07664 2.87530 2.08031 2.07561 2.87318 2.08566 2.07841 2.07832 2.08510 2.06593 2.06994 2.14465 2.08988 2.11860 2.07470 2.13738 2.07091 2.07490 2.05432 2.09494 2.13393 2.11079 2.08395 2.08844 2.10801 2.09952 2.07562 2.14599 2.16929 1.96672 2.09735 2.13794 2.00345 1.93802 1.94568 1.94775 1.84941 1.91236 1.90302 1.90389 1.94715 2.00811 1.91130 1.85533 1.92110 1.81544 1.84414 1.90064 1.97037 1.89794 2.00399 1.84477 1.84717 1.90198 1.93971 1.91137 1.98928 1.87330 1.78766 1.92750 1.97047 1.91717 1.99154 1.86951 1.79627 1.97115 1.92285 1.98981 1.91384 1.86970 -0.01074 3.12969 -3.07631 0.06412 0.00902 -3.12311 3.07113 -0.06100 -0.77743 -2.89268 1.35374 2.44382 0.32857 -1.70820 0.00447 -3.13648 -3.13599 0.00625 0.00378 -3.13870 -3.13846 0.00225 -0.00559 3.13575 3.13691 -0.00493 -0.00081 3.13144 3.14103 -0.00990 0.11512 2.92427 -2.97629 -0.16714 2.31565 -1.76563 0.19014 -0.87691 1.32499 -3.00242 1.37335 -1.46020 1.06364 -1.08107 3.13180 -1.82869 2.41835 0.37518 2.28998 0.25384 -1.78933 0.26186 -1.77428 2.46574 2.36896 0.31488 -1.74599 -1.76754 2.46157 0.40071 0.21395 -1.84012 2.38220 -0.63845 1.40258 -2.78812 1.39952 -2.84263 -0.75015 -2.82162 -0.78059 1.31189 -0.61004 -2.76360 1.42966 1.43774 -0.71582 -2.80575 -2.74697 1.38266 -0.70727 0.76965 2.91075 -1.27644 -1.27877 0.86233 2.95833 2.90508 -1.23700 0.85900 0.00001 -0.00000 0.00002 0.00001 -0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 0.00001 -0.00002 0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00002 0.00000 0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00018 -0.00005 -0.00000 -0.00010 0.00019 0.00001 0.00002 0.00006 -0.00011 0.00005 0.00004 -0.00010 -0.00010 -0.00003 -0.00001 -0.00000 -0.00001 -0.00002 -0.00000 0.00010 -0.00003 -0.00001 -0.00001 -0.00000 0.00003 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00008 -0.00008 0.00016 0.00000 0.00005 -0.00005 0.00006 0.00003 -0.00009 0.00003 0.00001 -0.00004 -0.00013 0.00013 -0.00000 0.00012 -0.00001 -0.00011 0.00006 -0.00009 0.00003 0.00011 0.00010 0.00002 0.00003 0.00001 0.00002 -0.00004 0.00003 -0.00000 -0.00002 0.00014 -0.00006 0.00005 -0.00016 -0.00001 0.00001 -0.00002 0.00008 -0.00009 0.00006 -0.00002 0.00000 -0.00001 -0.00003 0.00005 -0.00001 -0.00000 -0.00000 0.00001 -0.00005 0.00002 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00004 -0.00001 -0.00000 0.00005 -0.00000 0.00004 -0.00006 -0.00002 -0.00000 -0.00002 0.00005 0.00003 -0.00036 -0.00022 -0.00023 -0.00040 -0.00027 -0.00028 0.00000 -0.00002 -0.00004 -0.00006 0.00000 -0.00002 0.00002 -0.00001 -0.00001 -0.00002 0.00002 0.00001 0.00000 0.00002 0.00002 0.00004 -0.00022 0.00064 -0.00012 0.00074 0.00048 0.00039 0.00032 0.00038 0.00029 0.00022 -0.00027 -0.00108 -0.00023 -0.00030 -0.00026 -0.00008 -0.00018 -0.00018 -0.00011 -0.00020 -0.00021 -0.00004 -0.00013 -0.00014 0.00000 0.00003 0.00002 0.00021 0.00024 0.00023 0.00003 0.00006 0.00005 0.00003 0.00003 0.00001 0.00014 0.00014 0.00013 0.00017 0.00017 0.00016 -0.00002 -0.00001 -0.00004 -0.00007 -0.00006 -0.00009 -0.00008 -0.00007 -0.00010 0.00001 0.00000 0.00006 0.00005 0.00004 0.00010 0.00004 0.00003 0.00009 0.00005 -0.00000 0.00015 0.00004 0.00002 0.00009 -0.00012 -0.00001 -0.00000 -0.00004 0.00012 -0.00005 -0.00001 0.00002 0.00014 0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00004 0.00005 0.00002 -0.00000 0.00000 -0.00004 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 0.00005 0.00003 -0.00008 -0.00002 -0.00004 0.00006 -0.00000 -0.00005 0.00005 -0.00007 0.00001 0.00006 0.00012 -0.00010 -0.00003 -0.00008 0.00000 0.00008 -0.00011 0.00006 0.00005 0.00001 0.00005 0.00002 -0.00003 -0.00001 -0.00005 0.00005 -0.00002 0.00001 0.00003 -0.00004 0.00004 -0.00004 0.00005 0.00003 -0.00004 0.00002 -0.00010 0.00005 -0.00001 0.00003 0.00000 0.00004 0.00005 -0.00005 -0.00001 -0.00003 0.00001 0.00002 0.00004 -0.00001 -0.00002 -0.00002 -0.00000 -0.00004 0.00001 0.00002 0.00002 0.00000 -0.00002 0.00003 -0.00002 0.00006 0.00000 -0.00002 0.00001 -0.00004 -0.00001 -0.00000 -0.00007 -0.00002 0.00002 -0.00005 0.00001 -0.00003 0.00002 0.00003 0.00008 0.00000 0.00004 -0.00005 -0.00001 0.00002 0.00002 -0.00003 -0.00002 -0.00001 -0.00004 -0.00001 -0.00004 -0.00014 0.00014 -0.00011 0.00017 -0.00001 0.00005 0.00005 -0.00005 0.00001 0.00001 0.00017 -0.00009 -0.00000 0.00006 0.00003 0.00000 0.00006 0.00009 -0.00001 0.00005 0.00008 -0.00005 0.00000 0.00004 0.00007 0.00003 0.00002 0.00001 -0.00003 -0.00004 0.00006 0.00003 0.00002 0.00001 0.00002 0.00003 -0.00010 -0.00010 -0.00008 -0.00009 -0.00008 -0.00006 -0.00004 -0.00005 -0.00005 0.00003 0.00002 0.00002 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00004 -0.00004 -0.00005 -0.00001 -0.00001 -0.00002 0.00004 -0.00002 -0.00003 -0.00002 0.00002 -0.00001 0.00007 -0.00000 0.00002 0.00002 0.00001 0.00000 0.00003 -0.00008 0.00004 -0.00003 -0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00006 0.00002 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00003 -0.00005 0.00008 -0.00002 0.00001 0.00001 0.00006 -0.00002 -0.00004 -0.00004 0.00002 0.00001 -0.00001 0.00004 -0.00003 0.00004 -0.00001 -0.00004 -0.00005 -0.00004 0.00008 0.00011 0.00015 0.00004 0.00000 -0.00000 -0.00003 0.00000 0.00002 0.00001 0.00000 0.00010 -0.00002 0.00002 -0.00010 0.00003 -0.00003 -0.00000 -0.00002 -0.00004 0.00005 0.00001 0.00001 0.00002 0.00001 0.00001 -0.00001 -0.00003 0.00000 0.00003 -0.00001 0.00001 -0.00000 -0.00002 -0.00000 -0.00003 0.00001 -0.00002 0.00001 0.00000 0.00003 0.00003 0.00001 0.00000 -0.00002 -0.00002 -0.00001 0.00001 0.00002 -0.00036 -0.00029 -0.00025 -0.00039 -0.00031 -0.00028 -0.00002 0.00001 -0.00001 0.00002 0.00000 0.00002 -0.00003 -0.00002 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00036 0.00078 -0.00022 0.00091 0.00047 0.00044 0.00036 0.00033 0.00030 0.00023 -0.00010 -0.00117 -0.00023 -0.00024 -0.00022 -0.00008 -0.00012 -0.00009 -0.00011 -0.00016 -0.00013 -0.00009 -0.00013 -0.00010 0.00007 0.00006 0.00005 0.00022 0.00021 0.00019 0.00009 0.00009 0.00007 0.00004 0.00005 0.00005 0.00004 0.00005 0.00004 0.00009 0.00009 0.00009 -0.00007 -0.00006 -0.00009 -0.00004 -0.00004 -0.00007 -0.00007 -0.00007 -0.00010 0.00001 0.00001 0.00005 0.00001 0.00000 0.00005 0.00003 0.00002 0.00007 2.65196 2.64713 2.87397 2.62059 2.06613 2.62646 2.54068 2.63199 2.06229 2.63877 2.06459 2.06308 2.30382 2.57407 2.90544 2.59806 1.92803 2.68775 2.08297 2.08057 2.07167 2.94762 2.93944 2.87346 2.08483 2.07664 2.87530 2.08031 2.07560 2.87317 2.08566 2.07841 2.07832 2.08510 2.06590 2.06989 2.14474 2.08986 2.11861 2.07471 2.13744 2.07089 2.07486 2.05428 2.09496 2.13394 2.11078 2.08398 2.08842 2.10806 2.09951 2.07558 2.14594 2.16926 1.96680 2.09746 2.13810 2.00349 1.93802 1.94568 1.94773 1.84941 1.91238 1.90303 1.90389 1.94725 2.00809 1.91131 1.85523 1.92113 1.81541 1.84414 1.90063 1.97033 1.89799 2.00400 1.84477 1.84720 1.90199 1.93971 1.91136 1.98925 1.87330 1.78769 1.92750 1.97048 1.91717 1.99151 1.86951 1.79624 1.97115 1.92283 1.98982 1.91384 1.86973 -0.01071 3.12971 -3.07631 0.06410 0.00900 -3.12312 3.07113 -0.06098 -0.77779 -2.89297 1.35349 2.44343 0.32826 -1.70847 0.00444 -3.13647 -3.13600 0.00627 0.00379 -3.13868 -3.13849 0.00223 -0.00558 3.13576 3.13691 -0.00494 -0.00082 3.13143 3.14103 -0.00991 0.11476 2.92504 -2.97651 -0.16623 2.31612 -1.76519 0.19050 -0.87658 1.32530 -3.00219 1.37324 -1.46137 1.06341 -1.08131 3.13157 -1.82877 2.41823 0.37509 2.28987 0.25368 -1.78946 0.26177 -1.77441 2.46564 2.36902 0.31494 -1.74594 -1.76732 2.46178 0.40090 0.21405 -1.84003 2.38227 -0.63841 1.40262 -2.78808 1.39956 -2.84259 -0.75011 -2.82154 -0.78050 1.31198 -0.61010 -2.76366 1.42957 1.43770 -0.71586 -2.80581 -2.74704 1.38259 -0.70737 0.76966 2.91076 -1.27639 -1.27876 0.86234 2.95838 2.90511 -1.23698 0.85906 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000024 0.000005 0.001444 0.000287 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.061768e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 1 1 2 2 3 3 4 4 5 5 6 8 8 8 10 10 11 12 12 12 15 15 16 16 16 17 17 17 18 18 18 21 21 2 6 15 3 32 4 33 5 30 6 31 7 9 10 15 11 28 12 13 14 29 16 17 18 19 20 21 22 23 21 24 25 26 27 1.4033 1.4008 1.5209 1.3868 1.0933 1.3899 1.3444 1.3928 1.0913 1.3964 1.0925 1.0917 1.2191 1.3622 1.5375 1.3748 1.0203 1.4223 1.1023 1.101 1.0963 1.5598 1.5555 1.5206 1.1032 1.0989 1.5215 1.1009 1.0984 1.5204 1.1037 1.0998 1.0998 1.1034 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 9 9 10 8 8 11 10 11 11 11 13 13 14 1 1 1 8 8 16 15 15 15 18 18 19 15 15 15 21 21 22 16 16 16 21 21 24 17 17 17 18 18 26 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 10 10 10 11 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 21 21 21 21 21 21 6 15 15 3 32 32 4 33 33 5 30 30 6 31 31 5 7 7 10 15 15 11 28 28 12 13 14 29 14 29 29 8 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 21 24 25 24 25 25 18 26 27 26 27 27 118.3692 118.5988 122.8796 119.7412 121.3871 118.8716 122.4628 118.6541 118.883 117.7037 120.0312 122.265 120.9396 119.4014 119.659 120.7803 120.2935 118.924 122.9562 124.2913 112.6849 120.1691 122.4951 114.7891 111.0403 111.4793 111.5981 105.9632 109.5704 109.0351 109.0847 111.5638 115.056 109.5092 106.3027 110.071 104.0169 105.6617 108.8989 112.8941 108.744 114.8199 105.6973 105.8352 108.9754 111.137 109.5135 113.9775 107.3321 102.4255 110.4379 112.8994 109.8459 114.1067 107.1153 102.9186 112.9383 110.1713 114.0076 109.6552 107.1262 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 6 6 15 15 2 2 15 15 2 2 2 6 6 6 1 1 32 32 2 2 33 33 3 3 30 30 4 4 31 31 9 9 15 15 9 9 9 10 10 10 8 28 10 10 10 1 1 1 8 8 8 17 17 17 1 1 1 8 8 8 16 16 16 15 15 15 19 19 19 20 20 20 15 15 15 22 22 22 23 23 23 16 16 16 24 24 24 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 11 11 11 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 2 2 2 2 6 6 6 6 15 15 15 15 15 15 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 10 10 10 10 15 15 15 15 15 15 11 11 12 12 12 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 3 32 3 32 5 7 5 7 8 16 17 8 16 17 4 33 4 33 5 30 5 30 6 31 6 31 1 7 1 7 11 28 11 28 1 16 17 1 16 17 12 12 13 14 29 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 21 24 25 21 24 25 21 24 25 18 26 27 18 26 27 18 26 27 17 26 27 17 26 27 17 26 -0.6154 179.3181 -176.2598 3.6737 0.5165 -178.9409 175.9625 -3.4949 -44.5436 -165.7383 77.5637 140.0203 18.8257 -97.8724 0.2559 -179.7068 -179.6793 0.358 0.2167 -179.834 -179.8206 0.1286 -0.3201 179.6654 179.7318 -0.2826 -0.0467 179.4181 179.9678 -0.5674 6.5958 167.5482 -170.5288 -9.5765 132.6772 -101.1631 10.8942 -50.2431 75.9166 -172.0261 78.6869 -83.6634 60.9422 -61.9409 179.4387 -104.7764 138.5613 21.4964 131.2063 14.544 -102.5209 15.0037 -101.6587 141.2764 135.7312 18.0413 -100.0377 -101.2724 141.0377 22.9588 12.2587 -105.4312 136.4899 -36.5806 80.3618 -159.7478 80.1867 -162.871 -42.9805 -161.6672 -44.7248 75.1657 -34.9525 -158.3426 81.9135 82.3766 -41.0135 -160.7574 -157.3896 79.2203 -40.5236 44.0977 166.7737 -73.1344 -73.268 49.408 169.4999 166.4489 -70.8751 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 PCM SMD-Coulomb. Total charges None On-the-fly selection Acetonitrile 35.688000 1.806874 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.406767 0.000000 2.436507 1.386826 0.000000 2.790079 2.393102 1.395025 0.000000 2.431961 2.788162 2.432059 1.392792 0.000000 1.402438 2.411812 2.795322 2.398016 1.390349 0.000000 2.169127 3.409420 3.886791 3.381383 2.139087 1.091621 0.000000 2.522788 2.935177 4.281338 5.079004 4.884753 3.753650 4.102340 0.000000 3.544468 3.736566 5.090211 6.043470 5.959043 4.844381 5.190730 1.218326 0.000000 2.865893 3.171752 4.300632 5.008398 4.852253 3.879693 4.255891 1.362074 2.270053 0.000000 4.207995 4.299535 5.330664 6.134693 6.102648 5.216696 5.585946 2.371642 2.726122 1.374478 0.000000 5.091978 5.459205 6.571666 7.265352 7.028562 5.994045 6.131267 3.024712 3.185729 2.305990 1.422707 0.000000 5.164735 5.728751 6.773559 7.269348 6.868350 5.836330 5.825134 3.467540 3.900581 2.608669 2.094501 1.102210 0.000000 5.135901 5.601279 6.842669 7.574623 7.273833 6.113378 6.179676 2.813871 2.680035 2.615624 2.094827 1.100961 1.800214 0.000000 1.516694 2.519431 3.808244 4.304812 3.835997 2.560741 2.791354 1.538930 2.443163 2.413617 3.707529 4.281692 4.429681 4.050379 0.000000 2.596424 3.879085 5.025087 5.199812 4.360177 2.975042 2.605894 2.484730 3.328256 3.012654 4.184966 4.305797 4.124474 4.009300 1.558572 0.000000 2.504122 3.205586 4.428005 4.986046 4.592309 3.427981 3.606596 2.538036 2.806717 3.756484 4.908148 5.404619 5.689480 4.926450 1.556682 2.457064 0.000000 3.443949 4.718493 5.809637 5.890145 4.956407 3.626514 3.070391 3.603448 4.151372 4.422166 5.572565 5.609522 5.471024 5.113916 2.453040 1.520350 2.380594 0.000000 3.417998 4.549560 5.775818 6.078061 5.319426 3.957116 3.624479 2.415340 3.051835 2.837749 3.733203 3.532577 3.339699 3.112950 2.179987 1.103068 3.044251 2.147155 0.000000 2.694462 4.036022 4.980381 4.912744 3.916617 2.626115 2.056420 3.118353 4.144349 3.214135 4.385109 4.529306 4.119100 4.465794 2.229969 1.099118 3.360517 2.219192 1.755028 0.000000 3.644062 4.610962 5.813091 6.185297 5.530099 4.251675 4.034603 3.366994 3.511864 4.535554 5.598328 5.729707 5.878311 5.068810 2.452944 2.369753 1.521499 1.520238 2.758927 3.367946 0.000000 2.475808 3.076073 4.056681 4.471913 4.100147 3.135203 3.394123 3.387722 3.769253 4.474640 5.710440 6.337837 6.573139 5.949077 2.181395 3.080084 1.100813 2.802126 3.891053 3.772018 2.156096 0.000000 3.099239 3.380644 4.631145 5.442922 5.297984 4.242570 4.582763 2.558254 2.384620 3.879727 4.838590 5.400276 5.886741 4.862796 2.202600 3.317997 1.098221 3.358647 3.668207 4.263072 2.210335 1.771940 0.000000 3.398856 4.691086 5.584737 5.451351 4.410357 3.220536 2.552548 4.265371 4.932934 5.014865 6.273471 6.458991 6.271075 6.067882 2.865914 2.168371 2.719338 1.103595 3.056084 2.491440 2.160993 2.695459 3.794349 0.000000 4.466724 5.770132 6.859666 6.879324 5.857984 4.544420 3.831067 4.375308 4.835296 5.099232 6.123678 5.916248 5.664713 5.351847 3.426055 2.195452 3.382746 1.099681 2.424325 2.703646 2.210410 3.850698 4.268343 1.772606 0.000000 4.422789 5.311076 6.414733 6.733616 6.081468 4.907374 4.662015 4.388662 4.426703 5.597329 6.661554 6.800343 6.964769 6.094346 3.421715 3.373818 2.196176 2.209493 3.810095 4.285856 1.099643 2.425589 2.721321 2.494030 2.683210 0.000000 4.287193 5.170554 6.471459 6.974429 6.378571 5.053800 4.852340 3.300052 3.150409 4.482564 5.330703 5.259122 5.489568 4.445557 2.876195 2.702750 2.165024 2.157975 2.636009 3.776708 1.103348 3.054235 2.451947 3.068415 2.490553 1.772711 0.000000 2.695186 3.212103 4.161816 4.606474 4.292595 3.376518 3.670090 2.094666 3.182243 1.020550 2.025975 2.769114 2.665753 3.235169 2.567698 2.864329 4.089638 4.365011 2.846457 2.706602 4.796028 4.670779 4.444181 4.821455 5.008484 5.857081 4.892055 0.000000 6.073332 6.297619 7.348958 8.106946 7.968410 7.001819 7.184626 3.970485 3.951806 3.221297 2.020378 1.096197 1.790401 1.789867 5.317646 5.400124 6.389739 6.682860 4.602937 5.610512 6.735664 7.331397 6.278386 7.549168 6.957579 7.787043 6.193486 3.696865 0.000000 3.860063 3.361362 2.133138 1.070000 2.131131 3.365649 4.258764 6.113200 7.059940 5.971540 7.026465 8.195844 8.182719 8.565050 5.374700 6.240474 6.011825 6.898377 7.123516 5.892165 7.210387 5.429253 6.439017 6.389495 7.871210 7.706788 8.024777 5.538016 8.992229 0.000000 3.405884 3.858026 3.395154 2.137276 1.070000 2.148829 2.466180 5.826040 6.929524 5.740151 6.977341 7.824398 7.550022 8.092584 4.706428 4.981071 5.427558 5.453662 5.960020 4.387790 6.199444 4.880610 6.217719 4.768776 6.248524 6.680176 7.095192 5.076415 8.772044 2.448288 0.000000 2.147717 1.070000 2.122300 3.360517 3.858123 3.383889 4.299324 2.634227 3.140829 3.012866 3.936821 5.149505 5.617562 5.228771 2.701040 4.208110 3.203549 5.054601 4.688676 4.565530 4.672764 3.280131 3.028756 5.209647 6.089854 5.382794 5.054304 3.376815 5.895893 4.241797 4.927938 0.000000 3.675081 2.386360 1.350000 2.376709 3.657421 4.145185 5.236539 5.113084 5.736489 5.089922 5.898194 7.247275 7.575746 7.565924 4.904525 6.235843 5.397669 7.029551 6.904042 6.255209 6.865696 5.034798 5.374115 6.849036 8.095442 7.425982 7.454919 5.088150 7.891542 2.602690 4.512096 2.616169 0.000000 C13H16FNO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5837106 0.3647740 0.2781794 -24.52054 -19.01353 -18.94164 -14.24602 -10.15429 -10.14745 -10.09953 -10.08005 -10.07991 -10.06769 -10.06495 -10.06308 -10.06183 -10.05791 -10.05099 -10.05031 -10.04862 -1.18906 -1.06252 -0.98441 -0.83730 -0.81564 -0.79507 -0.72703 -0.71026 -0.67343 -0.66641 -0.63862 -0.58018 -0.57806 -0.56186 -0.53169 -0.52978 -0.50399 -0.48642 -0.46837 -0.45855 -0.44250 -0.43710 -0.43212 -0.42884 -0.41176 -0.39988 -0.39608 -0.38274 -0.38033 -0.36727 -0.35539 -0.34244 -0.33879 -0.32721 -0.32410 -0.31179 -0.30690 -0.30380 -0.30249 -0.29417 -0.28405 -0.25122 -0.24157 -0.23100 -0.22880 -0.21343 -0.04030 -0.02877 -0.00064 0.06172 0.07293 0.07443 0.07984 0.08871 0.10645 0.11090 0.11928 0.12462 0.13007 0.13695 0.14042 0.14420 0.15295 0.15615 0.15800 0.16157 0.16901 0.17980 0.18204 0.19245 0.20046 0.21076 0.23785 0.25578 0.25914 0.27022 0.28137 0.30530 0.31812 0.32553 0.33934 0.34948 0.37315 0.39548 0.40542 0.42239 0.43789 0.43932 0.45097 0.45554 0.46221 0.46675 0.46861 0.48155 0.49251 0.49774 0.50353 0.52893 0.53683 0.54058 0.55893 0.56114 0.56921 0.58491 0.58618 0.59379 0.60307 0.61165 0.61578 0.61902 0.62111 0.62794 0.63353 0.63937 0.64560 0.65160 0.65753 0.65934 0.66428 0.67350 0.67976 0.68525 0.69315 0.69757 0.70755 0.72000 0.72135 0.73206 0.73443 0.73860 0.76051 0.76562 0.78236 0.79212 0.80187 0.80730 0.81077 0.82053 0.86116 0.88377 0.89692 0.91393 0.93321 0.93537 0.95139 0.99303 0.99972 1.04764 1.05850 1.07121 1.08995 1.10407 1.12282 1.13287 1.15047 1.15838 1.18201 1.18735 1.20490 1.20943 1.22374 1.24702 1.24970 1.26749 1.28373 1.28700 1.29763 1.30825 1.31785 1.33214 1.36572 1.38985 1.43374 1.44128 1.45529 1.48552 1.49423 1.50596 1.52430 1.54130 1.55910 1.59330 1.60890 1.64147 1.64804 1.67341 1.68319 1.68934 1.70426 1.71021 1.71275 1.72515 1.73751 1.74345 1.76158 1.76757 1.77168 1.78013 1.78460 1.78961 1.79482 1.79914 1.82109 1.82580 1.82951 1.83939 1.85616 1.86260 1.87524 1.88543 1.89065 1.89511 1.90277 1.93014 1.95309 1.95861 1.97264 1.97581 1.98307 1.99335 1.99711 2.01859 2.03674 2.04138 2.06440 2.07384 2.10200 2.10807 2.12673 2.13582 2.18894 2.19904 2.20206 2.20769 2.21931 2.25420 2.26489 2.28413 2.29526 2.30010 2.31275 2.33913 2.34716 2.36185 2.36433 2.38918 2.41447 2.42784 2.43131 2.47875 2.48509 2.51048 2.52199 2.52728 2.56712 2.61271 2.63146 2.64239 2.64934 2.66030 2.66607 2.69294 2.71477 2.72326 2.73782 2.74958 2.76562 2.76971 2.77748 2.79888 2.82435 2.85405 2.88262 2.90246 2.91299 2.92087 2.93949 2.94641 2.98911 2.99799 3.00016 3.02332 3.03214 3.07014 3.07768 3.07910 3.08942 3.10024 3.11934 3.14256 3.18962 3.20283 3.27110 3.31951 3.35082 3.51427 3.56276 3.58647 3.64775 3.76161 3.90443 1-A. -0.7015 2.8774 -5.6557 6.3843 -96.7472 -101.4676 -98.7741 3.9964 4.7075 3.8162 2.2491 -2.4713 0.2222 3.9964 4.7075 3.8162 -18.1870 -10.8067 -6.9234 -14.9763 -10.3390 -44.5095 6.5919 -5.0507 -8.0284 -12.2205 -2742.7634 -1761.7458 -654.4561 109.8059 3.0354 18.7311 4.7761 41.4170 -9.8952 -752.1794 -603.0353 -387.9292 34.2249 19.5459 17.0126 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.403335 0.000000 2.413154 1.386763 0.000000 2.829325 2.433913 1.389867 0.000000 2.431898 2.782441 2.381490 1.392792 0.000000 1.400814 2.408266 2.757063 2.426836 1.396367 0.000000 2.167265 3.405366 3.848537 3.405166 2.148567 1.091737 0.000000 2.528953 2.942121 4.287607 5.127523 4.890600 3.756111 4.101343 0.000000 3.562739 3.766255 5.126677 6.111294 5.977098 4.855331 5.191941 1.219114 0.000000 2.860096 3.160528 4.287534 5.037587 4.845587 3.873308 4.251807 1.362184 2.269046 0.000000 4.206611 4.300091 5.335271 6.169208 6.097859 5.210718 5.577981 2.372365 2.724317 1.374849 0.000000 5.079708 5.452986 6.562615 7.285431 7.006792 5.970571 6.102703 3.023393 3.181063 2.305909 1.422291 0.000000 5.139379 5.706733 6.739430 7.266736 6.828540 5.797267 5.782990 3.464075 3.894394 2.607728 2.094280 1.102266 0.000000 5.126945 5.601784 6.840729 7.602915 7.255957 6.091424 6.149310 2.813016 2.674539 2.616588 2.094736 1.100993 1.800054 0.000000 1.520852 2.515069 3.793411 4.347833 3.844101 2.566786 2.798033 1.537471 2.441736 2.415526 3.708495 4.277501 4.422771 4.044992 0.000000 2.599074 3.876839 5.005680 5.241781 4.373452 2.981369 2.612358 2.478528 3.305554 3.026288 4.189768 4.297324 4.119797 3.988246 1.559782 0.000000 2.512479 3.200772 4.416368 5.029906 4.606641 3.442457 3.624719 2.534713 2.804688 3.754129 4.905771 5.405591 5.690850 4.929998 1.555475 2.455140 0.000000 3.450443 4.715730 5.788582 5.933089 4.978237 3.642397 3.092385 3.596757 4.125693 4.433496 5.575996 5.604849 5.473657 5.097875 2.454706 1.520565 2.379322 0.000000 3.421038 4.549302 5.761866 6.120638 5.329991 3.960645 3.626385 2.408666 3.019490 2.856455 3.739771 3.527477 3.346387 3.089489 2.182848 1.103248 3.043932 2.146489 0.000000 2.692897 4.034316 4.956534 4.949736 3.927248 2.625543 2.050553 3.114658 4.126503 3.231267 4.393565 4.515525 4.103693 4.437087 2.230285 1.098912 3.357823 2.218685 1.755218 0.000000 3.653252 4.607514 5.798612 6.230243 5.550515 4.269625 4.058630 3.360959 3.489809 4.541336 5.598778 5.732848 5.889685 5.068200 2.454837 2.370381 1.521545 1.520421 2.759924 3.367871 0.000000 2.482672 3.069941 4.040831 4.511981 4.115332 3.150907 3.413652 3.386126 3.775473 4.469861 5.707767 6.335688 6.567305 5.950343 2.178293 3.076039 1.100852 2.798936 3.888920 3.766272 2.155451 0.000000 3.108919 3.377507 4.628636 5.486317 5.309269 4.255907 4.599365 2.560626 2.396616 3.876852 4.838174 5.411192 5.897897 4.881950 2.204100 3.318787 1.098365 3.357854 3.671522 4.263342 2.209025 1.771640 0.000000 3.405361 4.688293 5.559596 5.491688 4.436617 3.240220 2.581744 4.260688 4.914968 5.024928 6.277505 6.451898 6.266715 6.050760 2.867088 2.168473 2.717922 1.103682 3.055475 2.490480 2.160827 2.691369 3.792562 0.000000 4.472558 5.767821 6.838173 6.921313 5.880247 4.558794 3.850616 4.367687 4.802265 5.113978 6.128388 5.912048 5.672849 5.331817 3.428164 2.196198 3.381903 1.099847 2.423483 2.703907 2.210734 3.847983 4.267974 1.772641 0.000000 4.432979 5.307630 6.400089 6.777388 6.105045 4.928451 4.690589 4.383698 4.408303 5.602184 6.661777 6.804912 6.977542 6.096516 3.423645 3.374362 2.197508 2.209503 3.810885 4.285428 1.099801 2.426759 2.719587 2.493484 2.683037 0.000000 4.296143 5.168080 6.461230 7.020522 6.396626 5.069158 4.872454 3.293109 3.118626 4.489992 5.331181 5.267507 5.511417 4.450342 2.878970 2.704118 2.165732 2.158173 2.638001 3.777729 1.103388 3.054563 2.452454 3.068329 2.490786 1.772492 0.000000 2.668802 3.169674 4.105696 4.600354 4.262500 3.353040 3.660269 2.095187 3.182612 1.020281 2.026686 2.774875 2.672954 3.243430 2.571314 2.900376 4.090070 4.397588 2.895531 2.747841 4.817315 4.662448 4.440611 4.847456 5.051074 5.876084 4.919311 0.000000 6.065301 6.297917 7.350822 8.131942 7.950290 6.981859 7.158085 3.970710 3.949101 3.221673 2.020491 1.096281 1.790266 1.789779 5.314839 5.391007 6.390801 6.675878 4.594724 5.597682 6.736027 7.330876 6.289396 7.541166 6.949257 7.788864 6.197004 3.700937 0.000000 3.920351 3.414251 2.154270 1.091306 2.180284 3.427855 4.319293 6.177992 7.142508 6.017120 7.074992 8.232067 8.198100 8.610484 5.438377 6.309833 6.074092 6.969832 7.191878 5.960799 7.277891 5.488526 6.495609 6.461034 7.943420 7.772945 8.091933 5.551302 9.031575 0.000000 3.417286 3.874947 3.375609 2.151171 1.092530 2.157147 2.465035 5.840614 6.955469 5.744084 6.981940 7.804082 7.506984 8.074069 4.721246 4.991337 5.450752 5.471650 5.967372 4.390205 6.222908 4.906052 6.241844 4.789777 6.263627 6.707349 7.116483 5.057616 8.755831 2.511892 0.000000 2.182416 1.093338 2.140722 3.408328 3.875134 3.413510 4.331221 2.669722 3.195860 3.023532 3.952767 5.170179 5.628604 5.260533 2.731440 4.241885 3.222992 5.084557 4.722930 4.601602 4.695224 3.296072 3.040055 5.239085 6.120674 5.401691 5.076094 3.362261 5.918366 4.290973 4.967644 0.000000 3.632016 2.349185 1.344436 2.354650 3.609484 4.101465 5.192965 5.089110 5.745224 5.047174 5.876148 7.217488 7.523349 7.543954 4.862962 6.196463 5.355140 6.987790 6.868315 6.217831 6.823437 4.990923 5.335026 6.807033 8.054316 7.383604 7.414829 5.005755 7.874320 2.595853 4.499568 2.569014 0.000000 C13H16FNO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5862264 0.3642121 0.2784691 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 334 334 334 334 334 MxSgAt= 33 MxSgA2= 33. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 334 334 334 334 334 MxSgAt= 33 MxSgA2= 33. 1 -2.76005785e-01 1.13207094e+00 -2.22513404e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 6 6 6 6 6 6 1 6 8 7 8 6 1 1 6 6 6 6 1 1 6 1 1 1 1 1 1 1 1 1 1 1 9 -0.008252825 0.001144147 -0.002820199 -0.002714973 -0.002117962 -0.003499617 0.001215207 -0.010433864 -0.012963703 -0.001931537 0.002365923 0.002613613 0.012126887 0.012753404 0.019679886 0.006247387 -0.003005484 -0.002346839 0.001174330 -0.000234690 0.000066148 -0.000695167 -0.001233128 -0.000781673 0.000689270 0.000530261 0.000551058 0.000055702 0.000141523 -0.000104469 0.000376454 0.000221176 -0.000114712 -0.000209826 0.000101275 0.000198042 0.000006753 -0.000014306 -0.000016269 0.000029232 -0.000031298 -0.000017880 0.000364692 0.000213116 0.002505081 -0.000121947 0.000160730 -0.000041463 0.000920068 0.000335357 -0.000811491 0.000062330 0.000104145 -0.000028310 0.000210852 -0.000113555 -0.000040547 -0.000003792 -0.000077235 0.000120860 -0.000003365 -0.000163362 0.000532046 0.000009764 0.000142476 -0.000167385 0.000121713 -0.000220567 0.000151941 -0.000022022 -0.000021621 0.000009399 0.000063268 -0.000100568 -0.000032195 0.000163017 -0.000171704 -0.000051145 0.000123358 -0.000089725 -0.000035901 -0.000131959 0.000017540 0.000307247 0.000069008 0.000016306 -0.000044525 -0.016670021 0.004086441 0.001080403 -0.008794344 -0.006521439 -0.010725084 0.009500957 0.008011943 0.012935254 0.006021527 -0.005795255 -0.006107567 0.019679886 0.004628101 (Enter /opt/ohpc/pub/apps/gaussian/Gaussian16/g16/l716.exe) Closed 1 1 1 -809.331499514612 -809.331500031193 -0.000000516581 -809.331500031688 -0.000000000495 -809.331500033097 -0.000000001409 -809.331500033740 -0.000000000643 -809.331500033778 -0.000000000038 -809.331500033774 0.000000000005 -809.331500034 7 8.020036610589e+02 -4.398575807800e+03 1.531366993579e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1879048192 LenX= 1878816636 LenY= 1878703970 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /opt/ohpc/pub/apps/gaussian/Gaussian16/g16/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -24.516414 -19.013561 -18.941069 -14.245936 -10.154153 -10.145445 -10.099472 -10.080269 -10.080151 -10.070740 -10.065931 -10.065873 -10.062613 -10.057844 -10.051174 -10.050262 -10.048571 -1.188799 -1.062343 -0.983730 -0.837137 -0.815645 -0.795096 -0.727874 -0.707158 -0.674544 -0.666352 -0.638674 -0.579293 -0.577484 -0.561553 -0.531120 -0.529365 -0.502018 -0.486108 -0.467788 -0.456255 -0.442234 -0.437012 -0.431901 -0.428774 -0.411219 -0.397415 -0.394412 -0.382451 -0.380420 -0.365298 -0.354695 -0.344484 -0.340380 -0.327095 -0.323819 -0.311370 -0.306709 -0.303490 -0.302327 -0.293453 -0.283700 -0.251276 -0.241745 -0.231413 -0.227313 -0.213978 -0.041197 -0.027933 -0.000602 0.061428 0.072353 0.073609 0.078604 0.088574 0.105830 0.110850 0.119091 0.121160 0.129732 0.138704 0.139774 0.145766 0.151654 0.153016 0.158071 0.162364 0.167798 0.179358 0.181931 0.192178 0.199270 0.209702 0.237293 0.256211 0.260150 0.265780 0.278893 0.301487 0.317887 0.328225 0.343167 0.351003 0.371359 0.390822 0.410444 0.419729 0.426629 0.438786 0.448899 0.455426 0.461764 0.462939 0.468473 0.481125 0.490870 0.498039 0.501748 0.530228 0.537312 0.540131 0.560205 0.562285 0.567965 0.584505 0.585064 0.593578 0.603615 0.612079 0.613761 0.617326 0.618212 0.628319 0.632365 0.638497 0.644958 0.651396 0.654710 0.657424 0.663447 0.672590 0.678850 0.683289 0.691879 0.697994 0.707155 0.716972 0.719620 0.731283 0.732490 0.738603 0.760479 0.767363 0.783206 0.794788 0.798433 0.806893 0.809760 0.821212 0.860322 0.884172 0.902334 0.913963 0.934376 0.934540 0.952161 0.992521 1.000652 1.047983 1.061560 1.071414 1.088749 1.104099 1.121999 1.132004 1.148627 1.156431 1.184542 1.189238 1.204471 1.208886 1.219448 1.243462 1.244950 1.267628 1.285093 1.289158 1.296891 1.309950 1.314279 1.334229 1.367313 1.393461 1.431612 1.450712 1.456149 1.484172 1.495823 1.504910 1.521592 1.537593 1.559083 1.593916 1.607847 1.638938 1.644633 1.671673 1.681566 1.689227 1.696794 1.707087 1.707237 1.720537 1.730757 1.742823 1.760385 1.766048 1.768721 1.777164 1.783493 1.785680 1.789940 1.795960 1.818584 1.824991 1.827849 1.838685 1.852507 1.861573 1.872212 1.884274 1.890516 1.894071 1.902682 1.926417 1.951495 1.957334 1.964286 1.973862 1.979660 1.988504 1.991972 2.016042 2.036314 2.041060 2.055445 2.072436 2.095704 2.107375 2.126163 2.129779 2.183343 2.193343 2.200293 2.206392 2.215649 2.240040 2.257870 2.275503 2.289900 2.312445 2.318100 2.335668 2.345208 2.354524 2.363740 2.387628 2.407370 2.415131 2.428128 2.474928 2.482645 2.504879 2.522418 2.528214 2.568312 2.612406 2.635187 2.646232 2.650987 2.659249 2.668636 2.692886 2.702740 2.718976 2.723052 2.737918 2.759313 2.768005 2.770402 2.798438 2.824593 2.853845 2.879229 2.895568 2.906620 2.913278 2.933921 2.946887 2.957855 2.996417 2.999859 3.014781 3.033928 3.059417 3.071926 3.077904 3.081778 3.095476 3.122013 3.142881 3.192510 3.203114 3.270365 3.324754 3.351277 3.511341 3.563008 3.592987 3.647557 3.761083 3.908178 36.728498 28.777755 28.768544 21.778149 15.755424 15.761356 15.758583 15.760279 15.748324 15.763122 15.760468 15.757833 15.759622 15.753209 15.753787 15.756264 15.755584 4.041184 2.668356 2.926362 1.859285 2.081927 1.632426 1.719499 1.913840 1.735906 1.527707 1.769688 1.626776 1.885481 1.881729 1.652185 1.458716 1.670440 1.654932 1.515710 1.558653 1.501176 1.440970 1.387436 2.370445 1.483424 1.338159 1.284723 1.865081 1.118130 2.156366 1.481284 1.603126 1.422953 1.657876 1.598790 1.500273 1.356400 1.301020 1.480653 1.442432 1.157519 2.201739 1.492312 1.926469 1.726556 2.028915 1.404500 1.611272 2.145962 1.250216 1.354644 1.530084 1.592045 1.042721 1.134047 1.346658 1.292654 1.031194 1.215917 1.154316 0.999581 1.244654 1.150646 1.416043 1.094496 1.466285 1.266577 1.485182 1.264568 1.996568 1.275202 1.496977 1.662678 1.671246 1.836738 1.526250 1.648230 1.812577 1.834581 1.652403 1.688622 1.857692 1.610416 1.897122 1.770411 1.627321 1.868640 2.039411 1.839792 1.617746 1.793736 1.792288 1.568498 1.881178 2.058802 2.016383 2.117096 2.265517 2.138160 2.233262 2.992098 2.223896 2.207197 2.271029 2.397591 2.294237 2.429623 2.705695 2.744501 2.266919 2.352449 2.361873 2.373244 2.252737 2.363955 2.193194 2.361932 2.287417 2.106430 2.329206 2.271497 2.320665 2.272825 2.450411 2.185508 2.441878 2.307425 2.206397 2.325253 2.376660 2.273393 2.682415 2.348995 2.634806 2.491960 2.550923 2.419941 2.648429 2.682281 2.730609 2.782280 2.445354 2.327135 2.439886 2.480255 2.617439 2.578226 2.699928 2.875942 2.603060 2.506650 2.453259 2.775384 2.720721 2.843518 2.710447 2.557259 2.929583 2.684163 2.814013 2.798231 2.412956 2.540674 2.784853 2.814782 2.716070 2.560181 2.717215 2.596528 2.791195 2.961292 2.832649 2.700974 2.774960 2.786539 3.601190 2.797956 2.750575 2.637583 2.885300 2.847312 2.894421 3.053646 2.952013 2.710228 2.905510 2.736946 2.737923 3.051063 2.852395 2.823450 2.978571 3.106762 2.811535 2.970179 3.071163 3.002424 3.055734 3.047019 2.889212 3.222617 3.020856 3.067933 2.884802 3.015463 3.001978 3.051661 3.028724 3.166762 3.026009 3.081096 3.180665 3.182220 3.091065 3.033080 3.366668 4.228109 3.158468 3.206686 3.131281 3.266895 3.628065 3.298168 3.507666 3.503913 3.457897 3.507726 3.761290 3.421229 3.596287 3.632438 3.460779 3.486476 3.803706 3.455793 3.436203 3.502202 3.790856 3.691714 3.571394 3.618365 3.728906 3.633378 3.621595 3.481300 3.634102 3.795408 3.734586 3.578054 3.948133 3.628718 3.828377 3.757190 3.922112 4.205725 4.235791 4.189932 4.173689 4.164412 4.101348 4.233069 4.680756 4.358177 4.445881 4.313867 4.372668 4.505393 4.543476 4.511619 4.459735 4.548834 4.464906 4.581542 4.659057 4.683282 4.574112 4.572021 4.618995 4.684061 4.639019 4.601165 4.715057 4.703657 4.783432 4.811943 4.743452 4.906215 4.726883 4.966073 4.912870 4.961203 4.891504 5.075162 5.204970 5.255445 5.470587 5.407818 5.506363 5.802021 5.848811 6.119202 8.020036610589D+02 PT21087.900S 2023-10-11T22:57:59.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 C C C C C C H C O N O C H H C C C C H H C H H H H H H H H H H H F 0.055758 -0.135397 0.345514 -0.129210 -0.023118 -0.093139 0.051484 0.281718 -0.331714 -0.042323 -0.362705 0.098080 0.059386 0.061643 -0.410896 0.044116 0.100581 -0.062737 0.049170 0.055982 -0.084750 0.045587 0.043862 0.045976 0.057497 0.056414 0.042274 0.200080 0.078812 0.056607 0.057360 0.045964 -0.257879 -0.00000 -24.51641 -19.01356 -18.94107 -14.24594 -10.15415 -10.14545 -10.09947 -10.08027 -10.08015 -10.07074 -10.06593 -10.06587 -10.06261 -10.05784 -10.05117 -10.05026 -10.04857 -1.18880 -1.06234 -0.98373 -0.83714 -0.81564 -0.79510 -0.72787 -0.70716 -0.67454 -0.66635 -0.63867 -0.57929 -0.57748 -0.56155 -0.53112 -0.52937 -0.50202 -0.48611 -0.46779 -0.45625 -0.44223 -0.43701 -0.43190 -0.42877 -0.41122 -0.39742 -0.39441 -0.38245 -0.38042 -0.36530 -0.35470 -0.34448 -0.34038 -0.32710 -0.32382 -0.31137 -0.30671 -0.30349 -0.30233 -0.29345 -0.28370 -0.25128 -0.24175 -0.23141 -0.22731 -0.21398 -0.04120 -0.02793 -0.00060 0.06143 0.07235 0.07361 0.07860 0.08857 0.10583 0.11085 0.11909 0.12116 0.12973 0.13870 0.13977 0.14577 0.15165 0.15302 0.15807 0.16236 0.16780 0.17936 0.18193 0.19218 0.19927 0.20970 0.23729 0.25621 0.26015 0.26578 0.27889 0.30149 0.31789 0.32823 0.34317 0.35100 0.37136 0.39082 0.41044 0.41973 0.42663 0.43879 0.44890 0.45543 0.46176 0.46294 0.46847 0.48113 0.49087 0.49804 0.50175 0.53023 0.53731 0.54013 0.56021 0.56228 0.56797 0.58451 0.58506 0.59358 0.60361 0.61208 0.61376 0.61733 0.61821 0.62832 0.63236 0.63850 0.64496 0.65140 0.65471 0.65742 0.66345 0.67259 0.67885 0.68329 0.69188 0.69799 0.70716 0.71697 0.71962 0.73128 0.73249 0.73860 0.76048 0.76736 0.78321 0.79479 0.79843 0.80689 0.80976 0.82121 0.86032 0.88417 0.90233 0.91396 0.93438 0.93454 0.95216 0.99252 1.00065 1.04798 1.06156 1.07141 1.08875 1.10410 1.12200 1.13200 1.14863 1.15643 1.18454 1.18924 1.20447 1.20889 1.21945 1.24346 1.24495 1.26763 1.28509 1.28916 1.29689 1.30995 1.31428 1.33423 1.36731 1.39346 1.43161 1.45071 1.45615 1.48417 1.49582 1.50491 1.52159 1.53759 1.55908 1.59392 1.60785 1.63894 1.64463 1.67167 1.68157 1.68923 1.69679 1.70709 1.70724 1.72054 1.73076 1.74282 1.76038 1.76605 1.76872 1.77716 1.78349 1.78568 1.78994 1.79596 1.81858 1.82499 1.82785 1.83868 1.85251 1.86157 1.87221 1.88427 1.89052 1.89407 1.90268 1.92642 1.95149 1.95733 1.96429 1.97386 1.97966 1.98850 1.99197 2.01604 2.03631 2.04106 2.05544 2.07244 2.09570 2.10737 2.12616 2.12978 2.18334 2.19334 2.20029 2.20639 2.21565 2.24004 2.25787 2.27550 2.28990 2.31245 2.31810 2.33567 2.34521 2.35452 2.36374 2.38763 2.40737 2.41513 2.42813 2.47493 2.48265 2.50488 2.52242 2.52821 2.56831 2.61241 2.63519 2.64623 2.65099 2.65925 2.66864 2.69289 2.70274 2.71898 2.72305 2.73792 2.75931 2.76801 2.77040 2.79844 2.82459 2.85384 2.87923 2.89557 2.90662 2.91328 2.93392 2.94689 2.95785 2.99642 2.99986 3.01478 3.03393 3.05942 3.07193 3.07790 3.08178 3.09548 3.12201 3.14288 3.19251 3.20311 3.27037 3.32475 3.35128 3.51134 3.56301 3.59299 3.64756 3.76108 3.90818 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 C C C C C C H C O N O C H H C C C C H H C H H H H H H H H H H H F 0.045599 -0.140177 0.340025 -0.135166 -0.041168 -0.086872 0.052488 0.282174 -0.333556 -0.042104 -0.362326 0.098258 0.059115 0.061587 -0.408325 0.043325 0.100266 -0.063083 0.049584 0.055503 -0.084414 0.045243 0.043649 0.045737 0.057528 0.056460 0.042345 0.199732 0.078757 0.071208 0.067960 0.060142 -0.259492 -0.00000 -1.80001083e-01 1.07008729e+00 -2.22376014e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4575 2.7199 -5.6522 6.2893 -96.7918 -101.4046 -98.8410 3.6564 4.7415 3.9931 2.2207 -2.3921 0.1714 3.6564 4.7415 3.9931 -12.1854 -11.0470 -5.7895 -15.3282 -11.3915 -45.2376 5.9478 -5.4033 -8.1604 -11.7507 -2731.8853 -1754.8860 -655.3833 100.8518 3.9643 18.3712 6.9304 41.3536 -10.5199 -753.4560 -607.9898 -386.4858 36.6596 20.9422 17.6386 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -809.3315 3.477E-9 9.375E-6 0.6683497,-1.2052824,0.5369327,2.6331017,-3.3534612,-3.508658 C01 [X(C13H16F1N1O2)] -0.0579963 -0.9251434 -2.2941976 -0.000012284 -0.000013753 -0.000015034 0.000000897 0.000011229 0.000016643 0.000003224 -0.000003421 0.000005823 -0.000025500 -0.000011483 -0.000018138 0.000019072 0.000015362 0.000023722 0.000001483 -0.000003244 -0.000010632 -0.000001199 0.000006658 0.000003942 -0.000015203 0.000020032 -0.000020801 0.000006144 0.000008158 0.000006823 0.000041615 -0.000019694 -0.000000173 -0.000013883 0.000000594 0.000005921 0.000004655 0.000004443 0.000001263 -0.000001170 0.000002459 0.000005767 -0.000002227 -0.000000047 0.000006288 0.000006017 -0.000004812 0.000003547 0.000003926 -0.000002507 -0.000007362 -0.000000208 -0.000010362 -0.000007203 -0.000001431 0.000004037 0.000002406 -0.000003574 0.000005442 0.000004134 -0.000001395 0.000004301 -0.000001613 -0.000000395 -0.000004993 0.000000435 0.000000565 -0.000005417 -0.000001357 0.000000744 -0.000004911 -0.000005054 0.000001417 -0.000000279 -0.000003054 0.000001163 0.000002355 -0.000001441 0.000001668 -0.000002477 -0.000002923 0.000000943 0.000000108 -0.000002550 -0.000012403 0.000013325 0.000016423 -0.000000091 0.000002980 0.000004439 0.000004631 -0.000001175 0.000001030 -0.000007625 -0.000005705 -0.000013287 -0.000000391 -0.000004947 -0.000000212 0.000000818 -0.000002253 0.000002228 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-NODE06 ERICK_004 1ac EM64L-G16RevC.01 93 C1[X(C13H16FNO2)] RM06L def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RM06L/def2SVPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1ac Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 12 12 12 12 12 12 1 12 16 14 16 12 1 1 12 12 12 12 1 1 12 1 1 1 1 1 1 1 1 1 1 1 19 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 15.9949146 14.0030740 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 18.9984033 0 0 0 0 0 0 1 0 0 2 0 0 1 1 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 5.6000000 4.5500000 5.6000000 3.6000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 6.7500000 (Enter /opt/ohpc/pub/apps/gaussian/Gaussian16/g16/l101.exe) Structure from the checkpoint file: "R2F_1ac.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 1 1 2 2 3 3 4 4 5 5 6 8 8 8 10 10 11 12 12 12 15 15 16 16 16 17 17 17 18 18 18 21 21 2 6 15 3 32 4 33 5 30 6 31 7 9 10 15 11 28 12 13 14 29 16 17 18 19 20 21 22 23 21 24 25 26 27 1.4033 1.4008 1.5209 1.3868 1.0933 1.3899 1.3444 1.3928 1.0913 1.3964 1.0925 1.0917 1.2191 1.3622 1.5375 1.3748 1.0203 1.4223 1.1023 1.101 1.0963 1.5598 1.5555 1.5206 1.1032 1.0989 1.5215 1.1009 1.0984 1.5204 1.1037 1.0998 1.0998 1.1034 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 9 9 10 8 8 11 10 11 11 11 13 13 14 1 1 1 8 8 16 15 15 15 18 18 19 15 15 15 21 21 22 16 16 16 21 21 24 17 17 17 18 18 26 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 10 10 10 11 12 12 12 12 12 12 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 21 21 21 21 21 21 6 15 15 3 32 32 4 33 33 5 30 30 6 31 31 5 7 7 10 15 15 11 28 28 12 13 14 29 14 29 29 8 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 21 24 25 24 25 25 18 26 27 26 27 27 118.3692 118.5988 122.8796 119.7412 121.3871 118.8716 122.4628 118.6541 118.883 117.7037 120.0312 122.265 120.9396 119.4014 119.659 120.7803 120.2935 118.924 122.9562 124.2913 112.6849 120.1691 122.4951 114.7891 111.0403 111.4793 111.5981 105.9632 109.5704 109.0351 109.0847 111.5638 115.056 109.5092 106.3027 110.071 104.0169 105.6617 108.8989 112.8941 108.744 114.8199 105.6973 105.8352 108.9754 111.137 109.5135 113.9775 107.3321 102.4255 110.4379 112.8994 109.8459 114.1067 107.1153 102.9186 112.9383 110.1713 114.0076 109.6552 107.1262 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 6 6 15 15 2 2 15 15 2 2 2 6 6 6 1 1 32 32 2 2 33 33 3 3 30 30 4 4 31 31 9 9 15 15 9 9 9 10 10 10 8 28 10 10 10 1 1 1 8 8 8 17 17 17 1 1 1 8 8 8 16 16 16 15 15 15 19 19 19 20 20 20 15 15 15 22 22 22 23 23 23 16 16 16 24 24 24 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 8 8 8 8 8 8 8 8 8 8 10 10 11 11 11 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 2 2 2 2 6 6 6 6 15 15 15 15 15 15 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 10 10 10 10 15 15 15 15 15 15 11 11 12 12 12 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 3 32 3 32 5 7 5 7 8 16 17 8 16 17 4 33 4 33 5 30 5 30 6 31 6 31 1 7 1 7 11 28 11 28 1 16 17 1 16 17 12 12 13 14 29 18 19 20 18 19 20 18 19 20 21 22 23 21 22 23 21 22 23 21 24 25 21 24 25 21 24 25 18 26 27 18 26 27 18 26 27 17 26 27 17 26 27 17 26 27 -0.6154 179.3181 -176.2598 3.6737 0.5165 -178.9409 175.9625 -3.4949 -44.5436 -165.7383 77.5637 140.0203 18.8257 -97.8724 0.2559 -179.7068 -179.6793 0.358 0.2167 -179.834 -179.8206 0.1286 -0.3201 179.6654 179.7318 -0.2826 -0.0467 179.4181 179.9678 -0.5674 6.5958 167.5482 -170.5288 -9.5765 132.6772 -101.1631 10.8942 -50.2431 75.9166 -172.0261 78.6869 -83.6634 60.9422 -61.9409 179.4387 -104.7764 138.5613 21.4964 131.2063 14.544 -102.5209 15.0037 -101.6587 141.2764 135.7312 18.0413 -100.0377 -101.2724 141.0377 22.9588 12.2587 -105.4312 136.4899 -36.5806 80.3618 -159.7478 80.1867 -162.871 -42.9805 -161.6672 -44.7248 75.1657 -34.9525 -158.3426 81.9135 82.3766 -41.0135 -160.7574 -157.3896 79.2203 -40.5236 44.0977 166.7737 -73.1344 -73.268 49.408 169.4999 166.4489 -70.8751 49.2168 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00076 0.00226 0.00298 0.00381 0.00479 0.00541 0.00726 0.01428 0.01628 0.01720 0.01740 0.01772 0.02096 0.02208 0.02307 0.02431 0.02476 0.02914 0.03424 0.03499 0.03682 0.03796 0.03829 0.04082 0.04424 0.04597 0.04891 0.05645 0.05793 0.05923 0.06120 0.06267 0.06688 0.07202 0.07910 0.07976 0.08985 0.09093 0.09141 0.10082 0.10912 0.11296 0.11697 0.11972 0.12891 0.13722 0.16631 0.17602 0.17917 0.18487 0.18773 0.19091 0.19637 0.21304 0.21650 0.22059 0.23543 0.24141 0.24568 0.25476 0.27306 0.27521 0.29211 0.30008 0.31044 0.32082 0.33109 0.33121 0.33195 0.33257 0.33629 0.33670 0.34009 0.34094 0.34267 0.34604 0.34889 0.35140 0.35707 0.35770 0.35906 0.36294 0.36947 0.38372 0.42963 0.43852 0.44831 0.45577 0.45763 0.48684 0.48805 0.52944 0.85465 Angle between quadratic step and forces= 68.95 degrees. 1 2 3 0.00082868 0.00000174 0.00000000 0.00000105 0.00000058 0.00000058 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 2.65192 2.64715 2.87399 2.62060 2.06611 2.62647 2.54062 2.63199 2.06227 2.63875 2.06458 2.06308 2.30379 2.57415 2.90540 2.59809 1.92805 2.68774 2.08298 2.08057 2.07167 2.94756 2.93942 2.87345 2.08484 2.07664 2.87530 2.08031 2.07561 2.87318 2.08566 2.07841 2.07832 2.08510 2.06593 2.06994 2.14465 2.08988 2.11860 2.07470 2.13738 2.07091 2.07490 2.05432 2.09494 2.13393 2.11079 2.08395 2.08844 2.10801 2.09952 2.07562 2.14599 2.16929 1.96672 2.09735 2.13794 2.00345 1.93802 1.94568 1.94775 1.84941 1.91236 1.90302 1.90389 1.94715 2.00811 1.91130 1.85533 1.92110 1.81544 1.84414 1.90064 1.97037 1.89794 2.00399 1.84477 1.84717 1.90198 1.93971 1.91137 1.98928 1.87330 1.78766 1.92750 1.97047 1.91717 1.99154 1.86951 1.79627 1.97115 1.92285 1.98981 1.91384 1.86970 -0.01074 3.12969 -3.07631 0.06412 0.00902 -3.12311 3.07113 -0.06100 -0.77743 -2.89268 1.35374 2.44382 0.32857 -1.70820 0.00447 -3.13648 -3.13599 0.00625 0.00378 -3.13870 -3.13846 0.00225 -0.00559 3.13575 3.13691 -0.00493 -0.00081 3.13144 3.14103 -0.00990 0.11512 2.92427 -2.97629 -0.16714 2.31565 -1.76563 0.19014 -0.87691 1.32499 -3.00242 1.37335 -1.46020 1.06364 -1.08107 3.13180 -1.82869 2.41835 0.37518 2.28998 0.25384 -1.78933 0.26186 -1.77428 2.46574 2.36896 0.31488 -1.74599 -1.76754 2.46157 0.40071 0.21395 -1.84012 2.38220 -0.63845 1.40258 -2.78812 1.39952 -2.84263 -0.75015 -2.82162 -0.78059 1.31189 -0.61004 -2.76360 1.42966 1.43774 -0.71582 -2.80575 -2.74697 1.38266 -0.70727 0.76965 2.91075 -1.27644 -1.27877 0.86233 2.95833 2.90508 -1.23700 0.85900 0.00001 -0.00000 0.00002 0.00001 -0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 0.00002 -0.00001 0.00001 -0.00002 0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00002 0.00000 0.00002 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 -0.00002 0.00004 0.00001 -0.00000 0.00004 0.00000 -0.00002 -0.00002 -0.00000 0.00005 -0.00003 0.00007 -0.00029 0.00010 -0.00013 -0.00008 0.00005 -0.00003 -0.00001 -0.00000 -0.00003 0.00004 -0.00000 -0.00002 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00008 0.00009 -0.00001 -0.00002 0.00003 0.00002 -0.00001 -0.00001 -0.00004 0.00000 0.00004 0.00005 -0.00002 -0.00004 -0.00001 0.00001 0.00001 -0.00003 -0.00004 0.00005 0.00038 0.00086 0.00028 -0.00006 0.00000 -0.00007 -0.00001 0.00002 0.00004 0.00003 -0.00002 0.00001 -0.00001 0.00003 0.00002 -0.00003 -0.00001 -0.00007 0.00002 0.00001 0.00004 0.00001 0.00003 0.00003 -0.00001 -0.00001 -0.00004 0.00000 -0.00001 0.00002 0.00001 0.00000 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00001 0.00000 0.00007 0.00002 -0.00008 -0.00012 -0.00006 -0.00005 0.00008 0.00009 -0.00043 -0.00046 -0.00043 -0.00058 -0.00061 -0.00057 -0.00003 0.00000 0.00002 0.00005 -0.00001 0.00002 -0.00005 -0.00002 0.00002 0.00003 -0.00001 -0.00000 0.00002 0.00001 0.00001 -0.00000 -0.00206 0.00352 -0.00154 0.00403 0.00028 0.00030 0.00030 -0.00024 -0.00022 -0.00023 0.00104 -0.00423 -0.00023 -0.00020 -0.00019 0.00021 0.00025 0.00027 0.00021 0.00025 0.00027 0.00019 0.00022 0.00025 -0.00018 -0.00020 -0.00022 -0.00020 -0.00023 -0.00024 -0.00017 -0.00020 -0.00021 -0.00014 -0.00013 -0.00011 -0.00023 -0.00022 -0.00020 -0.00018 -0.00018 -0.00015 0.00010 0.00008 0.00008 0.00015 0.00013 0.00012 0.00012 0.00010 0.00010 0.00002 0.00003 0.00003 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00005 -0.00002 0.00004 0.00001 -0.00000 0.00004 0.00000 -0.00002 -0.00002 -0.00000 0.00005 -0.00003 0.00007 -0.00029 0.00010 -0.00013 -0.00008 0.00005 -0.00003 -0.00001 -0.00000 -0.00003 0.00004 -0.00000 -0.00002 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00008 0.00009 -0.00001 -0.00002 0.00003 0.00002 -0.00001 -0.00001 -0.00004 0.00000 0.00004 0.00005 -0.00002 -0.00004 -0.00001 0.00001 0.00001 -0.00003 -0.00004 0.00005 0.00038 0.00086 0.00027 -0.00006 0.00000 -0.00007 -0.00001 0.00002 0.00004 0.00003 -0.00002 0.00001 -0.00001 0.00003 0.00002 -0.00003 -0.00001 -0.00007 0.00002 0.00001 0.00004 0.00001 0.00003 0.00003 -0.00001 -0.00001 -0.00004 0.00000 -0.00001 0.00002 0.00001 0.00000 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00002 -0.00001 0.00000 0.00007 0.00002 -0.00008 -0.00012 -0.00006 -0.00005 0.00008 0.00009 -0.00043 -0.00046 -0.00043 -0.00058 -0.00061 -0.00057 -0.00003 0.00000 0.00002 0.00005 -0.00001 0.00002 -0.00005 -0.00002 0.00002 0.00003 -0.00001 -0.00000 0.00002 0.00001 0.00001 -0.00000 -0.00206 0.00352 -0.00154 0.00403 0.00028 0.00030 0.00030 -0.00024 -0.00022 -0.00023 0.00104 -0.00423 -0.00023 -0.00020 -0.00019 0.00021 0.00025 0.00027 0.00021 0.00025 0.00027 0.00019 0.00022 0.00025 -0.00018 -0.00020 -0.00022 -0.00020 -0.00023 -0.00024 -0.00017 -0.00020 -0.00021 -0.00014 -0.00013 -0.00011 -0.00023 -0.00022 -0.00020 -0.00018 -0.00018 -0.00015 0.00010 0.00008 0.00008 0.00015 0.00013 0.00012 0.00012 0.00010 0.00010 0.00002 0.00003 0.00003 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 2.65197 2.64714 2.87404 2.62061 2.06611 2.62651 2.54062 2.63197 2.06225 2.63875 2.06463 2.06306 2.30386 2.57387 2.90550 2.59795 1.92797 2.68779 2.08296 2.08057 2.07167 2.94753 2.93946 2.87345 2.08482 2.07664 2.87530 2.08031 2.07560 2.87317 2.08566 2.07841 2.07833 2.08510 2.06593 2.06986 2.14474 2.08987 2.11858 2.07474 2.13740 2.07089 2.07489 2.05427 2.09494 2.13397 2.11085 2.08393 2.08841 2.10800 2.09953 2.07562 2.14596 2.16926 1.96677 2.09773 2.13880 2.00372 1.93796 1.94568 1.94768 1.84940 1.91238 1.90306 1.90392 1.94713 2.00812 1.91129 1.85536 1.92112 1.81541 1.84414 1.90057 1.97039 1.89795 2.00403 1.84478 1.84720 1.90201 1.93969 1.91137 1.98924 1.87330 1.78765 1.92753 1.97048 1.91718 1.99152 1.86951 1.79626 1.97115 1.92285 1.98983 1.91383 1.86971 -0.01067 3.12971 -3.07639 0.06399 0.00895 -3.12316 3.07121 -0.06091 -0.77787 -2.89314 1.35331 2.44324 0.32796 -1.70877 0.00444 -3.13648 -3.13598 0.00630 0.00377 -3.13868 -3.13851 0.00223 -0.00557 3.13578 3.13690 -0.00493 -0.00080 3.13144 3.14104 -0.00990 0.11306 2.92779 -2.97783 -0.16311 2.31594 -1.76533 0.19043 -0.87715 1.32477 -3.00265 1.37438 -1.46443 1.06342 -1.08127 3.13161 -1.82848 2.41860 0.37545 2.29020 0.25409 -1.78905 0.26205 -1.77406 2.46599 2.36877 0.31468 -1.74621 -1.76774 2.46135 0.40047 0.21378 -1.84032 2.38199 -0.63859 1.40244 -2.78824 1.39930 -2.84285 -0.75035 -2.82181 -0.78077 1.31173 -0.60994 -2.76352 1.42973 1.43789 -0.71570 -2.80562 -2.74685 1.38275 -0.70717 0.76967 2.91078 -1.27640 -1.27877 0.86234 2.95834 2.90509 -1.23698 0.85902 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000024 0.000005 0.003915 0.000828 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -9.222666e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 335 A 318 A 318 537 335 63 63 1255.8763347270 33 33 33 1.00e+00 60 F IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 PCM SMD-Coulomb. Total charges None Matrix inversion Acetonitrile 35.688000 1.806874 0.000000 1.403335 0.000000 2.413154 1.386763 0.000000 2.829325 2.433913 1.389867 0.000000 2.431898 2.782441 2.381490 1.392792 0.000000 1.400814 2.408266 2.757063 2.426836 1.396367 0.000000 2.167265 3.405366 3.848537 3.405166 2.148567 1.091737 0.000000 2.528953 2.942121 4.287607 5.127523 4.890600 3.756111 4.101343 0.000000 3.562739 3.766255 5.126677 6.111294 5.977098 4.855331 5.191941 1.219114 0.000000 2.860096 3.160528 4.287534 5.037587 4.845587 3.873308 4.251807 1.362184 2.269046 0.000000 4.206611 4.300091 5.335271 6.169208 6.097859 5.210718 5.577981 2.372365 2.724317 1.374849 0.000000 5.079708 5.452986 6.562615 7.285431 7.006792 5.970571 6.102703 3.023393 3.181063 2.305909 1.422291 0.000000 5.139379 5.706733 6.739430 7.266736 6.828540 5.797267 5.782990 3.464075 3.894394 2.607728 2.094280 1.102266 0.000000 5.126945 5.601784 6.840729 7.602915 7.255957 6.091424 6.149310 2.813016 2.674539 2.616588 2.094736 1.100993 1.800054 0.000000 1.520852 2.515069 3.793411 4.347833 3.844101 2.566786 2.798033 1.537471 2.441736 2.415526 3.708495 4.277501 4.422771 4.044992 0.000000 2.599074 3.876839 5.005680 5.241781 4.373452 2.981369 2.612358 2.478528 3.305554 3.026288 4.189768 4.297324 4.119797 3.988246 1.559782 0.000000 2.512479 3.200772 4.416368 5.029906 4.606641 3.442457 3.624719 2.534713 2.804688 3.754129 4.905771 5.405591 5.690850 4.929998 1.555475 2.455140 0.000000 3.450443 4.715730 5.788582 5.933089 4.978237 3.642397 3.092385 3.596757 4.125693 4.433496 5.575996 5.604849 5.473657 5.097875 2.454706 1.520565 2.379322 0.000000 3.421038 4.549302 5.761866 6.120638 5.329991 3.960645 3.626385 2.408666 3.019490 2.856455 3.739771 3.527477 3.346387 3.089489 2.182848 1.103248 3.043932 2.146489 0.000000 2.692897 4.034316 4.956534 4.949736 3.927248 2.625543 2.050553 3.114658 4.126503 3.231267 4.393565 4.515525 4.103693 4.437087 2.230285 1.098912 3.357823 2.218685 1.755218 0.000000 3.653252 4.607514 5.798612 6.230243 5.550515 4.269625 4.058630 3.360959 3.489809 4.541336 5.598778 5.732848 5.889685 5.068200 2.454837 2.370381 1.521545 1.520421 2.759924 3.367871 0.000000 2.482672 3.069941 4.040831 4.511981 4.115332 3.150907 3.413652 3.386126 3.775473 4.469861 5.707767 6.335688 6.567305 5.950343 2.178293 3.076039 1.100852 2.798936 3.888920 3.766272 2.155451 0.000000 3.108919 3.377507 4.628636 5.486317 5.309269 4.255907 4.599365 2.560626 2.396616 3.876852 4.838174 5.411192 5.897897 4.881950 2.204100 3.318787 1.098365 3.357854 3.671522 4.263342 2.209025 1.771640 0.000000 3.405361 4.688293 5.559596 5.491688 4.436617 3.240220 2.581744 4.260688 4.914968 5.024928 6.277505 6.451898 6.266715 6.050760 2.867088 2.168473 2.717922 1.103682 3.055475 2.490480 2.160827 2.691369 3.792562 0.000000 4.472558 5.767821 6.838173 6.921313 5.880247 4.558794 3.850616 4.367687 4.802265 5.113978 6.128388 5.912048 5.672849 5.331817 3.428164 2.196198 3.381903 1.099847 2.423483 2.703907 2.210734 3.847983 4.267974 1.772641 0.000000 4.432979 5.307630 6.400089 6.777388 6.105045 4.928451 4.690589 4.383698 4.408303 5.602184 6.661777 6.804912 6.977542 6.096516 3.423645 3.374362 2.197508 2.209503 3.810885 4.285428 1.099801 2.426759 2.719587 2.493484 2.683037 0.000000 4.296143 5.168080 6.461230 7.020522 6.396626 5.069158 4.872454 3.293109 3.118626 4.489992 5.331181 5.267507 5.511417 4.450342 2.878970 2.704118 2.165732 2.158173 2.638001 3.777729 1.103388 3.054563 2.452454 3.068329 2.490786 1.772492 0.000000 2.668802 3.169674 4.105696 4.600354 4.262500 3.353040 3.660269 2.095187 3.182612 1.020281 2.026686 2.774875 2.672954 3.243430 2.571314 2.900376 4.090070 4.397588 2.895531 2.747841 4.817315 4.662448 4.440611 4.847456 5.051074 5.876084 4.919311 0.000000 6.065301 6.297917 7.350822 8.131942 7.950290 6.981859 7.158085 3.970710 3.949101 3.221673 2.020491 1.096281 1.790266 1.789779 5.314839 5.391007 6.390801 6.675878 4.594724 5.597682 6.736027 7.330876 6.289396 7.541166 6.949257 7.788864 6.197004 3.700937 0.000000 3.920351 3.414251 2.154270 1.091306 2.180284 3.427855 4.319293 6.177992 7.142508 6.017120 7.074992 8.232067 8.198100 8.610484 5.438377 6.309833 6.074092 6.969832 7.191878 5.960799 7.277891 5.488526 6.495609 6.461034 7.943420 7.772945 8.091933 5.551302 9.031575 0.000000 3.417286 3.874947 3.375609 2.151171 1.092530 2.157147 2.465035 5.840614 6.955469 5.744084 6.981940 7.804082 7.506984 8.074069 4.721246 4.991337 5.450752 5.471650 5.967372 4.390205 6.222908 4.906052 6.241844 4.789777 6.263627 6.707349 7.116483 5.057616 8.755831 2.511892 0.000000 2.182416 1.093338 2.140722 3.408328 3.875134 3.413510 4.331221 2.669722 3.195860 3.023532 3.952767 5.170179 5.628604 5.260533 2.731440 4.241885 3.222992 5.084557 4.722930 4.601602 4.695224 3.296072 3.040055 5.239085 6.120674 5.401691 5.076094 3.362261 5.918366 4.290973 4.967644 0.000000 3.632016 2.349185 1.344436 2.354650 3.609484 4.101465 5.192965 5.089110 5.745224 5.047174 5.876148 7.217488 7.523349 7.543954 4.862962 6.196463 5.355140 6.987790 6.868315 6.217831 6.823437 4.990923 5.335026 6.807033 8.054316 7.383604 7.414829 5.005755 7.874320 2.595853 4.499568 2.569014 0.000000 C13H16FNO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5862264 0.3642121 0.2784691 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 334 334 334 334 334 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 1 1 -809.331500033790 -809.331500034 1 8.020036623876e+02 -4.398575814469e+03 1.531366998919e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1879048192 LenX= 1878816636 LenY= 1878703970 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 33. Will process 34 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 35.6880, EpsInf= 1.8069) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9954 words used for storage of precomputed grid. Keep J ints in memory in canonical form, NReq=1305318487. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 50721 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 1879048192 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 102 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 99 vectors produced by pass 0 Test12= 1.61D-14 1.00D-09 XBig12= 2.13D+02 5.50D+00. AX will form 99 AO Fock derivatives at one time. 99 vectors produced by pass 1 Test12= 1.61D-14 1.00D-09 XBig12= 3.94D+01 1.07D+00. 99 vectors produced by pass 2 Test12= 1.61D-14 1.00D-09 XBig12= 2.85D-01 5.73D-02. 99 vectors produced by pass 3 Test12= 1.61D-14 1.00D-09 XBig12= 1.61D-03 2.70D-03. 99 vectors produced by pass 4 Test12= 1.61D-14 1.00D-09 XBig12= 3.17D-06 1.29D-04. 62 vectors produced by pass 5 Test12= 1.61D-14 1.00D-09 XBig12= 2.60D-09 3.25D-06. 10 vectors produced by pass 6 Test12= 1.61D-14 1.00D-09 XBig12= 1.71D-12 1.47D-07. 3 vectors produced by pass 7 Test12= 1.61D-14 1.00D-09 XBig12= 1.41D-15 3.38D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 570 with 102 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 201.86 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 230.679 -7.450 186.623 -15.289 -19.075 188.271 279.378 -14.635 225.584 -26.568 -35.727 242.398 (Enter /opt/ohpc/pub/apps/gaussian/Gaussian16/g16/l716.exe) PT30506.800S 2023-10-12T00:02:18.000 -24.51641 -19.01356 -18.94107 -14.24594 -10.15415 -10.14545 -10.09947 -10.08027 -10.08015 -10.07074 -10.06593 -10.06587 -10.06261 -10.05784 -10.05117 -10.05026 -10.04857 -1.18880 -1.06234 -0.98373 -0.83714 -0.81564 -0.79510 -0.72787 -0.70716 -0.67454 -0.66635 -0.63867 -0.57929 -0.57748 -0.56155 -0.53112 -0.52937 -0.50202 -0.48611 -0.46779 -0.45625 -0.44223 -0.43701 -0.43190 -0.42877 -0.41122 -0.39742 -0.39441 -0.38245 -0.38042 -0.36530 -0.35470 -0.34448 -0.34038 -0.32710 -0.32382 -0.31137 -0.30671 -0.30349 -0.30233 -0.29345 -0.28370 -0.25128 -0.24175 -0.23141 -0.22731 -0.21398 -0.04120 -0.02793 -0.00060 0.06143 0.07235 0.07361 0.07860 0.08857 0.10583 0.11085 0.11909 0.12116 0.12973 0.13870 0.13977 0.14577 0.15165 0.15302 0.15807 0.16236 0.16780 0.17936 0.18193 0.19218 0.19927 0.20970 0.23729 0.25621 0.26015 0.26578 0.27889 0.30149 0.31789 0.32823 0.34317 0.35100 0.37136 0.39082 0.41044 0.41973 0.42663 0.43879 0.44890 0.45543 0.46176 0.46294 0.46847 0.48113 0.49087 0.49804 0.50175 0.53023 0.53731 0.54013 0.56021 0.56228 0.56797 0.58451 0.58506 0.59358 0.60361 0.61208 0.61376 0.61733 0.61821 0.62832 0.63236 0.63850 0.64496 0.65140 0.65471 0.65742 0.66345 0.67259 0.67885 0.68329 0.69188 0.69799 0.70716 0.71697 0.71962 0.73128 0.73249 0.73860 0.76048 0.76736 0.78321 0.79479 0.79843 0.80689 0.80976 0.82121 0.86032 0.88417 0.90233 0.91396 0.93438 0.93454 0.95216 0.99252 1.00065 1.04798 1.06156 1.07141 1.08875 1.10410 1.12200 1.13200 1.14863 1.15643 1.18454 1.18924 1.20447 1.20889 1.21945 1.24346 1.24495 1.26763 1.28509 1.28916 1.29689 1.30995 1.31428 1.33423 1.36731 1.39346 1.43161 1.45071 1.45615 1.48417 1.49582 1.50491 1.52159 1.53759 1.55908 1.59392 1.60785 1.63894 1.64463 1.67167 1.68157 1.68923 1.69679 1.70709 1.70724 1.72054 1.73076 1.74282 1.76038 1.76605 1.76872 1.77716 1.78349 1.78568 1.78994 1.79596 1.81858 1.82499 1.82785 1.83868 1.85251 1.86157 1.87221 1.88427 1.89052 1.89407 1.90268 1.92642 1.95149 1.95733 1.96429 1.97386 1.97966 1.98850 1.99197 2.01604 2.03631 2.04106 2.05544 2.07244 2.09570 2.10737 2.12616 2.12978 2.18334 2.19334 2.20029 2.20639 2.21565 2.24004 2.25787 2.27550 2.28990 2.31245 2.31810 2.33567 2.34521 2.35452 2.36374 2.38763 2.40737 2.41513 2.42813 2.47493 2.48265 2.50488 2.52242 2.52821 2.56831 2.61241 2.63519 2.64623 2.65099 2.65925 2.66864 2.69289 2.70274 2.71898 2.72305 2.73792 2.75931 2.76801 2.77040 2.79844 2.82459 2.85384 2.87923 2.89557 2.90662 2.91328 2.93392 2.94689 2.95785 2.99642 2.99986 3.01478 3.03393 3.05942 3.07193 3.07790 3.08178 3.09548 3.12201 3.14288 3.19251 3.20311 3.27037 3.32475 3.35128 3.51134 3.56301 3.59299 3.64756 3.76108 3.90818 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 C C C C C C H C O N O C H H C C C C H H C H H H H H H H H H H H F 0.045599 -0.140178 0.340025 -0.135167 -0.041168 -0.086872 0.052487 0.282174 -0.333556 -0.042104 -0.362326 0.098258 0.059115 0.061587 -0.408325 0.043325 0.100266 -0.063083 0.049584 0.055503 -0.084414 0.045243 0.043649 0.045737 0.057528 0.056460 0.042345 0.199732 0.078757 0.071208 0.067959 0.060142 -0.259492 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 8 9 10 11 12 15 16 17 18 21 33 C C C C C C C O N O C C C C C C F 0.045599 -0.080036 0.340025 -0.063959 0.026792 -0.034385 0.282174 -0.333556 0.157628 -0.362326 0.297717 -0.408325 0.148412 0.189158 0.040182 0.014391 -0.259492 0.00000 -1.80001387e-01 1.07008859e+00 -2.22376140e+00 2.30679243e+02 -7.45004117e+00 1.86623202e+02 -1.52886088e+01 -1.90752366e+01 1.88271332e+02 -13.8552 -0.0008 -0.0005 0.0005 2.7723 7.1689 26.1813 41.8041 56.7104 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 25.2653 41.6810 56.6996 59.1414 79.9558 88.4696 147.1400 168.2855 211.5147 236.0496 246.4458 279.2446 303.0610 342.5404 362.2793 373.7070 392.9421 413.8647 460.8694 474.3958 516.3492 530.3830 537.0703 623.9090 638.2412 675.9950 716.4658 756.0901 770.9575 792.6116 843.3005 872.1476 877.9587 889.0239 901.8577 909.0176 939.6619 963.0552 977.5962 991.5855 1003.4914 1016.6250 1023.2585 1036.5242 1074.7707 1087.2897 1092.2878 1128.6402 1149.2593 1151.2645 1165.3017 1203.5960 1207.6453 1219.4444 1248.5848 1256.6049 1278.6358 1288.6238 1295.4575 1312.4744 1341.0047 1344.9901 1354.4855 1409.3688 1417.7558 1419.9214 1424.1386 1435.0330 1441.8094 1447.7431 1453.8359 1473.1692 1509.5378 1523.2346 1650.8487 1677.3891 1802.0391 3010.5840 3036.0874 3039.1518 3043.1849 3060.6551 3117.0065 3120.0006 3124.4847 3128.1018 3143.4013 3181.8233 3184.3123 3186.1337 3202.7836 3210.9577 3547.0663 4.9899 4.0510 3.2494 4.1679 4.8424 3.6341 4.4572 1.5614 1.9444 4.6751 3.5714 3.4878 3.3090 5.5660 2.0169 4.1885 1.7628 2.4912 4.5129 3.0556 3.2619 5.1854 1.9410 4.3407 3.9372 3.0124 2.1628 4.0701 3.0834 1.5171 1.8722 1.8186 2.6807 2.5393 1.5541 1.8821 2.2167 2.7698 2.4127 1.3008 1.9296 5.6481 2.3507 1.4981 2.1347 2.2321 1.5948 3.6478 1.8616 1.3172 1.1612 1.5860 2.0136 2.0638 1.4105 1.3278 2.1999 1.8674 1.6156 2.0243 1.6145 1.4542 1.4681 7.8385 1.0506 1.0927 1.1213 1.1031 1.1242 1.0670 1.2106 2.9705 1.6619 2.8723 6.9857 7.2733 11.6577 1.0330 1.0667 1.0657 1.0681 1.0659 1.1017 1.1038 1.1089 1.0999 1.1034 1.1054 1.0915 1.0895 1.0930 1.0978 1.0811 0.0019 0.0041 0.0062 0.0086 0.0182 0.0168 0.0569 0.0261 0.0513 0.1535 0.1278 0.1602 0.1791 0.3848 0.1560 0.3446 0.1604 0.2514 0.5648 0.4052 0.5124 0.8594 0.3299 0.9955 0.9449 0.8111 0.6541 1.3709 1.0798 0.5615 0.7845 0.8150 1.2175 1.1825 0.7447 0.9163 1.1532 1.5136 1.3585 0.7536 1.1448 3.4393 1.4502 0.9483 1.4528 1.5547 1.1211 2.7378 1.4487 1.0286 0.9290 1.3537 1.7302 1.8082 1.2955 1.2353 2.1191 1.8270 1.5975 2.0545 1.7106 1.5499 1.5869 9.1734 1.2442 1.2980 1.3399 1.3384 1.3769 1.3176 1.5076 3.7983 2.2313 3.9265 11.2169 12.0572 22.3044 5.5162 5.7930 5.7996 5.8278 5.8832 6.3066 6.3308 6.3782 6.3413 6.4237 6.5935 6.5212 6.5163 6.6058 6.6690 8.0144 0.0676 8.2530 1.0868 0.9898 8.7256 7.5061 4.5695 2.7889 3.9609 2.2074 1.3122 20.8698 8.5697 7.2953 3.8970 18.5174 83.9064 73.5482 6.5108 6.6647 2.4560 8.1829 8.1159 2.7845 0.2767 6.7309 29.4707 13.6436 10.3583 57.0973 20.3772 30.0208 43.9201 24.4857 4.6885 21.9981 2.8796 1.8747 21.3758 0.5609 2.8931 0.5226 42.9801 17.1097 38.2876 18.9498 56.7763 18.8351 25.9552 3.7981 13.4689 5.3365 0.7912 64.2788 3.2694 2.9983 60.5994 37.6047 18.6212 19.4438 1.9270 3.1946 12.6231 4.1080 17.3488 13.7477 3.6818 7.6764 10.6040 8.2727 1.9839 41.1941 135.6213 84.9752 114.1390 132.0452 422.2129 61.3214 61.8563 69.9348 61.0722 46.0432 46.9380 69.1060 40.2715 32.6193 18.6827 16.3280 10.7309 3.1913 12.4461 4.1754 75.0104 -0.02 -0.01 -0.02 0.02 0.11 0.08 0.00 0.07 0.06 -0.05 -0.08 -0.07 -0.09 -0.20 -0.17 -0.08 -0.17 -0.14 -0.10 -0.26 -0.23 -0.01 -0.02 -0.02 -0.03 -0.05 -0.03 0.01 0.01 -0.04 0.02 0.00 -0.09 0.03 0.01 -0.11 0.05 0.05 -0.10 0.01 -0.01 -0.09 -0.01 -0.00 0.02 -0.04 0.05 0.07 0.02 -0.05 0.07 0.07 0.04 0.10 -0.06 0.10 0.13 -0.11 0.03 0.04 0.08 0.02 0.10 0.04 -0.11 0.11 -0.03 -0.08 0.04 0.10 -0.02 0.09 0.09 0.11 0.12 0.15 0.00 0.12 0.06 0.09 0.10 0.03 0.04 -0.03 0.03 0.01 -0.15 -0.06 -0.11 -0.09 -0.13 -0.33 -0.27 0.05 0.23 0.18 0.04 0.19 0.16 -0.02 0.02 0.02 -0.02 -0.01 -0.01 -0.04 -0.04 -0.05 -0.04 -0.03 -0.05 -0.04 -0.00 -0.02 -0.03 0.02 0.02 -0.03 0.04 0.04 -0.05 0.05 0.03 -0.16 0.13 -0.05 0.05 -0.01 0.11 0.09 -0.04 0.13 0.19 -0.18 -0.17 0.38 -0.36 -0.21 0.04 -0.10 -0.40 -0.02 0.03 0.03 -0.01 0.04 0.04 0.00 0.03 0.04 0.05 0.05 0.02 -0.03 0.08 0.06 -0.03 0.01 0.03 0.05 0.07 0.02 0.02 -0.01 0.06 -0.04 0.04 0.03 0.07 0.01 0.01 0.07 0.08 0.02 0.09 0.07 0.01 0.03 0.12 0.03 0.20 -0.11 0.18 0.21 -0.19 -0.12 -0.05 -0.06 -0.08 -0.05 0.00 -0.02 -0.02 -0.02 -0.01 -0.04 -0.07 -0.08 -0.04 0.02 0.02 -0.04 0.00 0.00 -0.04 0.01 0.00 -0.03 0.03 0.02 -0.03 0.04 0.03 -0.03 0.04 0.03 -0.04 0.04 0.04 -0.01 -0.03 -0.02 0.06 -0.11 0.03 -0.07 0.05 -0.10 0.07 -0.04 -0.06 -0.03 -0.17 0.11 -0.19 -0.12 0.12 -0.05 -0.26 0.21 -0.04 0.00 0.01 -0.01 0.03 0.01 -0.05 -0.01 0.03 0.19 0.06 -0.05 -0.06 0.15 0.09 -0.07 -0.07 -0.00 0.12 0.13 -0.05 0.00 -0.14 0.15 -0.21 -0.01 -0.01 0.27 -0.08 -0.04 0.28 0.16 -0.09 0.24 0.13 -0.07 0.06 0.29 -0.08 -0.07 0.07 -0.10 0.10 -0.24 0.14 -0.03 0.04 0.02 -0.03 0.06 0.05 -0.04 -0.01 -0.01 -0.04 -0.01 -0.01 0.02 0.06 -0.01 -0.03 0.05 0.01 -0.06 -0.06 0.01 -0.02 -0.14 -0.01 0.03 -0.11 -0.03 0.05 -0.01 -0.03 0.10 -0.00 -0.05 0.05 0.07 -0.04 0.12 0.00 0.01 0.01 0.11 -0.09 0.15 0.02 -0.02 0.07 -0.14 0.09 -0.07 -0.14 0.09 0.02 -0.20 0.13 0.02 0.09 -0.04 0.02 0.11 -0.03 0.00 0.06 -0.02 -0.16 0.07 0.07 0.06 0.01 -0.13 0.09 0.23 -0.02 -0.14 -0.05 0.06 -0.04 0.17 -0.09 0.13 0.03 -0.01 -0.22 0.19 0.10 -0.22 0.00 0.10 -0.25 -0.06 0.12 -0.09 -0.19 0.05 0.00 0.12 -0.09 0.19 -0.21 0.15 -0.04 -0.22 -0.02 0.06 -0.17 -0.05 -0.07 0.10 0.03 -0.12 -0.08 0.03 -0.01 0.04 0.07 0.00 0.03 0.06 -0.02 -0.02 -0.00 -0.05 -0.06 -0.04 -0.05 -0.04 -0.02 -0.03 0.01 0.04 -0.04 0.01 0.05 0.06 -0.02 0.12 0.22 -0.12 0.23 -0.01 0.06 0.03 -0.02 0.06 -0.03 0.07 0.06 -0.25 0.25 -0.01 -0.26 -0.01 0.11 -0.39 -0.01 0.02 0.07 -0.03 -0.08 0.02 -0.06 0.09 0.00 -0.03 -0.05 -0.11 -0.03 -0.09 0.08 -0.05 -0.17 0.02 -0.04 0.07 -0.10 -0.06 0.09 0.02 -0.10 0.15 0.02 -0.02 -0.07 -0.14 -0.02 -0.09 -0.16 -0.04 0.11 -0.17 -0.05 0.10 -0.08 -0.14 0.17 -0.02 0.03 0.08 -0.29 -0.06 -0.10 -0.10 -0.07 -0.06 -0.05 0.02 0.05 0.08 -0.02 -0.05 -0.03 -0.00 0.05 0.07 0.01 0.05 0.06 -0.02 -0.02 -0.01 -0.05 -0.07 -0.06 -0.05 -0.04 -0.03 -0.03 0.02 0.04 -0.03 0.03 0.05 0.03 -0.02 0.00 -0.09 -0.04 -0.09 0.19 -0.05 0.05 0.13 -0.01 -0.09 0.07 0.19 0.14 -0.03 0.48 0.22 0.18 0.04 0.42 -0.02 0.01 0.05 -0.01 -0.04 0.02 -0.11 0.02 0.04 0.01 -0.02 -0.05 -0.02 -0.03 0.05 -0.02 -0.11 0.03 -0.06 0.04 -0.06 -0.11 -0.00 0.15 -0.22 0.03 0.02 0.04 -0.06 -0.04 0.05 -0.02 -0.11 -0.05 0.06 -0.09 -0.08 0.09 -0.09 0.18 0.02 0.06 0.05 0.19 -0.06 -0.07 -0.13 -0.12 -0.07 -0.07 -0.06 0.02 0.07 0.08 -0.02 -0.06 -0.05 0.06 0.03 0.14 0.12 0.04 0.11 0.10 -0.00 -0.01 0.02 -0.07 -0.11 -0.01 -0.05 -0.04 0.02 0.01 0.10 0.01 0.03 0.13 -0.05 0.03 -0.01 -0.09 0.04 -0.03 -0.14 0.08 -0.06 -0.06 0.03 -0.01 -0.10 -0.11 0.00 -0.16 -0.23 -0.03 -0.14 -0.09 -0.07 0.03 0.01 0.07 0.13 0.01 -0.01 -0.13 0.01 0.06 0.06 -0.00 -0.02 0.14 0.00 -0.10 0.21 0.00 0.02 -0.15 -0.05 -0.05 -0.17 0.07 0.16 -0.20 0.00 0.04 0.09 0.01 0.13 0.13 -0.00 -0.13 -0.30 -0.05 -0.00 -0.16 -0.13 -0.21 0.02 -0.01 0.00 -0.02 -0.15 0.13 -0.01 -0.14 -0.21 -0.08 -0.08 -0.10 0.17 0.05 0.16 0.18 0.01 -0.06 0.00 0.04 -0.01 -0.01 0.05 0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.03 -0.01 0.02 0.03 -0.02 0.03 -0.03 -0.04 0.05 -0.05 -0.03 0.05 -0.06 -0.01 -0.03 -0.01 0.08 0.01 0.04 0.02 0.03 -0.45 -0.13 0.21 0.43 -0.31 -0.01 0.00 -0.02 0.02 0.03 -0.01 -0.06 -0.04 0.02 0.05 0.03 0.02 0.01 0.06 -0.02 0.02 0.04 -0.01 -0.03 -0.02 0.00 -0.06 -0.05 0.09 -0.11 -0.07 -0.01 0.08 -0.01 0.08 0.10 0.07 -0.01 -0.04 -0.03 0.04 -0.04 -0.01 -0.06 -0.08 -0.05 -0.08 -0.21 0.21 0.48 -0.02 -0.04 -0.02 0.01 -0.01 -0.01 -0.01 0.06 0.01 -0.04 -0.00 -0.00 -0.00 -0.04 0.03 0.01 -0.05 0.02 0.02 -0.02 0.01 -0.00 0.00 0.01 -0.02 -0.01 0.02 -0.02 -0.03 0.03 -0.04 -0.03 0.04 -0.01 0.01 0.00 -0.06 -0.01 -0.03 -0.01 0.07 -0.06 0.06 0.04 -0.08 0.00 -0.00 0.03 -0.14 -0.42 -0.10 0.20 0.28 -0.17 0.00 0.00 0.04 -0.06 -0.05 0.04 0.05 0.05 -0.01 -0.11 -0.04 -0.03 -0.04 -0.10 0.08 -0.08 -0.07 0.03 0.07 0.07 0.00 0.07 0.02 -0.05 0.07 0.09 0.02 -0.18 0.02 -0.18 -0.22 -0.14 0.03 0.17 0.11 -0.09 0.07 0.14 0.15 0.08 0.07 -0.01 -0.11 0.10 0.49 0.00 0.02 0.01 -0.03 0.00 0.02 0.02 -0.06 0.02 0.06 -0.01 -0.00 0.07 0.12 0.01 0.10 0.28 0.16 0.05 0.11 0.07 0.09 0.08 0.08 0.08 0.00 -0.01 0.05 -0.04 -0.10 0.01 -0.21 -0.27 0.03 -0.03 -0.02 -0.02 0.01 -0.06 -0.04 -0.04 -0.02 -0.08 -0.02 0.02 -0.08 -0.06 -0.02 -0.05 0.03 0.01 -0.16 -0.14 0.02 0.03 -0.00 0.00 -0.07 -0.06 0.04 0.00 -0.02 0.02 -0.08 -0.05 -0.01 -0.06 -0.10 0.13 -0.14 -0.08 0.01 0.07 0.05 0.02 0.02 -0.08 0.10 -0.08 -0.04 -0.00 -0.13 -0.03 -0.14 -0.16 -0.11 0.05 0.21 0.07 -0.06 0.05 0.17 0.15 0.07 -0.15 0.02 -0.01 -0.11 -0.12 0.07 0.02 0.06 0.08 -0.08 -0.06 0.10 0.37 0.21 -0.09 -0.16 -0.11 0.04 0.09 0.01 0.00 0.03 -0.04 -0.01 -0.03 -0.04 -0.03 -0.18 -0.14 0.05 0.02 -0.00 0.10 0.22 0.12 0.16 0.37 0.25 0.03 -0.04 -0.03 0.00 -0.02 -0.05 -0.01 -0.07 -0.02 -0.07 -0.04 0.03 -0.06 -0.04 -0.02 -0.01 0.06 0.01 -0.12 -0.11 0.02 0.02 -0.01 -0.00 -0.03 -0.04 0.02 0.02 -0.02 0.01 -0.09 -0.04 -0.01 -0.00 -0.10 0.02 -0.01 -0.02 0.02 0.10 0.06 0.02 0.05 -0.09 0.07 -0.05 -0.03 -0.01 -0.17 0.03 -0.17 -0.20 -0.13 0.07 0.26 0.09 -0.07 0.08 0.20 0.18 0.03 -0.15 -0.01 -0.02 -0.07 -0.13 -0.08 -0.32 -0.24 0.07 0.01 0.01 -0.01 0.05 -0.04 -0.03 0.09 0.10 -0.02 -0.05 0.04 0.01 -0.07 0.04 0.03 -0.04 0.03 0.02 0.00 0.04 -0.00 -0.04 0.03 -0.01 -0.08 0.03 -0.02 -0.09 0.02 -0.02 -0.01 -0.09 0.05 -0.09 -0.05 0.05 -0.09 -0.01 -0.05 -0.03 0.11 0.01 0.01 -0.01 0.15 0.18 0.05 -0.08 -0.08 0.04 -0.05 0.04 -0.05 -0.01 0.14 -0.05 -0.08 0.03 -0.03 -0.13 0.14 0.00 0.02 0.09 -0.14 0.04 0.25 -0.04 0.01 0.15 0.02 -0.05 -0.06 0.05 -0.17 0.01 -0.05 -0.22 0.25 -0.10 -0.24 0.04 0.08 0.20 0.14 -0.01 -0.02 0.31 0.13 -0.34 0.03 -0.20 0.02 -0.01 -0.24 0.03 0.03 0.06 -0.02 -0.03 0.03 0.02 -0.09 0.03 0.15 -0.03 -0.04 -0.03 -0.02 0.08 -0.02 0.09 0.18 -0.05 0.04 0.06 -0.14 -0.01 -0.03 -0.12 0.05 0.03 -0.10 0.04 0.10 -0.13 0.04 0.14 -0.02 -0.01 -0.04 0.02 -0.01 -0.01 0.03 -0.06 -0.00 -0.01 -0.05 -0.02 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.03 0.01 0.01 -0.01 -0.03 -0.04 0.09 0.03 -0.08 0.18 0.02 -0.10 0.04 0.01 0.00 0.11 0.01 -0.22 0.19 0.10 -0.05 0.08 -0.07 0.00 0.18 0.09 -0.39 0.45 0.09 -0.00 0.00 0.07 0.01 -0.00 -0.01 0.05 -0.00 -0.08 0.04 0.13 -0.20 0.02 -0.13 0.03 -0.08 -0.04 0.01 -0.00 -0.17 -0.10 -0.13 -0.14 0.04 0.02 -0.00 0.15 0.23 0.01 -0.01 -0.05 -0.00 -0.02 0.03 -0.05 -0.05 0.04 -0.05 -0.01 0.03 -0.09 0.03 0.02 -0.09 0.01 0.00 -0.08 -0.01 0.02 -0.13 -0.02 0.05 0.10 0.07 -0.13 0.06 -0.02 -0.18 -0.01 0.16 -0.18 -0.00 0.21 0.27 0.08 0.05 0.03 0.28 0.21 0.09 -0.21 -0.13 0.01 0.06 -0.00 0.01 -0.02 -0.12 0.02 0.02 -0.08 0.05 0.01 -0.13 -0.02 -0.02 -0.13 0.14 -0.10 -0.19 -0.00 0.04 -0.09 -0.01 0.02 -0.12 0.18 -0.10 -0.15 -0.01 0.02 -0.16 -0.06 0.01 -0.12 -0.00 0.04 -0.06 -0.05 0.04 -0.08 0.01 -0.01 -0.07 -0.22 0.24 -0.07 -0.26 -0.08 0.06 0.03 -0.09 0.01 0.00 -0.07 -0.05 0.02 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.02 -0.01 -0.02 0.03 -0.00 -0.03 0.01 -0.02 -0.03 -0.02 -0.01 -0.01 -0.01 -0.01 -0.03 0.02 0.02 0.02 0.07 0.06 -0.02 0.03 0.03 0.03 0.00 -0.03 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.06 0.04 0.01 0.01 -0.02 -0.01 0.15 -0.01 -0.09 -0.06 -0.13 0.06 -0.05 -0.04 -0.01 0.21 -0.12 -0.37 0.37 0.14 -0.01 0.08 -0.01 0.01 -0.03 -0.26 0.32 -0.32 -0.21 -0.05 -0.17 0.12 -0.11 -0.19 -0.17 0.07 0.23 0.00 -0.05 0.04 0.15 0.11 -0.03 0.09 0.03 0.00 0.03 0.04 -0.01 0.04 0.00 -0.04 0.01 -0.02 -0.00 -0.00 0.00 -0.04 0.01 -0.01 -0.01 -0.01 -0.02 -0.02 0.02 0.08 -0.02 -0.04 0.06 -0.06 -0.08 0.01 0.02 0.01 0.07 0.02 0.03 0.04 -0.00 0.03 0.05 0.01 0.05 -0.05 0.12 0.26 0.05 0.01 -0.01 0.01 0.04 -0.03 -0.07 0.02 0.01 -0.00 -0.04 -0.02 -0.01 0.09 0.05 0.01 -0.04 -0.02 -0.13 -0.21 -0.01 -0.02 -0.08 -0.15 -0.05 0.01 -0.01 0.01 -0.27 0.07 0.25 -0.44 -0.08 -0.12 0.01 -0.06 0.01 -0.07 -0.21 0.10 -0.19 -0.25 -0.14 0.11 -0.18 0.03 0.11 0.16 0.04 0.10 -0.09 0.05 -0.03 0.03 -0.01 -0.14 0.12 -0.05 -0.02 0.04 0.06 -0.08 -0.16 -0.01 0.06 0.02 0.10 -0.06 0.08 0.09 0.13 -0.02 -0.03 0.01 0.01 0.02 -0.05 -0.05 -0.00 -0.04 -0.01 0.02 -0.05 0.04 0.04 -0.05 -0.01 -0.02 -0.04 -0.01 -0.01 -0.06 -0.02 0.00 0.11 -0.03 -0.02 0.09 0.06 -0.03 -0.01 -0.04 -0.01 -0.03 -0.04 -0.03 -0.05 -0.01 -0.01 -0.07 -0.01 -0.02 -0.02 -0.00 0.00 0.04 0.02 0.01 0.04 0.02 0.02 -0.02 0.03 0.02 -0.01 0.03 0.00 0.05 -0.00 0.03 0.02 0.02 0.02 -0.02 0.03 0.00 -0.02 0.04 0.04 -0.03 0.03 0.01 -0.04 0.07 -0.00 -0.03 -0.02 -0.01 -0.02 0.04 -0.00 -0.02 0.04 -0.00 0.73 -0.50 0.31 -0.06 -0.00 0.02 -0.04 0.07 0.07 -0.04 -0.04 -0.03 -0.08 -0.06 -0.02 0.02 0.01 -0.01 -0.02 -0.01 -0.05 0.00 0.06 0.03 -0.00 -0.00 0.01 0.01 -0.06 -0.01 0.05 0.02 0.04 0.04 0.01 -0.00 0.07 0.02 -0.02 -0.05 -0.02 0.05 -0.05 -0.13 0.05 -0.13 0.10 -0.01 0.04 0.02 0.06 0.07 0.07 0.02 0.15 0.11 0.03 0.12 0.10 0.02 -0.06 -0.02 -0.06 -0.05 0.04 -0.07 -0.00 -0.06 -0.06 -0.01 0.04 -0.00 -0.05 0.06 -0.10 -0.02 0.08 -0.06 0.02 -0.03 -0.00 0.01 -0.09 -0.05 -0.01 -0.09 -0.08 0.00 0.02 -0.00 -0.00 0.09 0.04 0.05 -0.06 0.04 0.02 -0.02 -0.00 0.66 -0.35 0.34 -0.00 0.11 -0.03 -0.01 -0.12 -0.03 0.08 0.06 0.09 0.01 0.13 0.08 0.05 0.00 -0.02 0.01 0.12 -0.09 -0.20 0.02 -0.01 -0.19 0.00 0.09 -0.12 -0.04 0.15 0.11 -0.08 -0.01 0.11 0.07 -0.10 0.21 0.08 -0.16 -0.00 -0.00 0.06 -0.07 -0.07 0.00 0.05 -0.00 0.05 -0.02 0.03 -0.02 -0.04 -0.03 -0.01 -0.08 -0.07 -0.02 -0.09 -0.05 -0.02 0.02 0.04 0.03 0.05 -0.05 0.01 0.03 0.03 0.06 0.02 -0.06 0.00 0.07 -0.09 -0.12 0.18 -0.02 0.06 0.01 -0.01 0.01 0.03 0.02 0.09 -0.01 0.01 0.04 0.02 -0.07 0.01 0.03 -0.06 -0.02 -0.03 0.02 -0.04 0.02 -0.04 0.02 -0.19 0.17 -0.04 0.03 -0.07 0.03 -0.13 -0.19 0.35 0.25 -0.22 -0.01 -0.40 0.09 -0.09 0.16 0.06 -0.15 -0.02 -0.08 -0.07 0.01 0.07 0.06 -0.07 -0.14 -0.11 -0.05 -0.10 -0.07 0.06 0.18 0.14 -0.04 -0.13 -0.12 -0.04 -0.14 -0.13 0.04 0.01 0.00 0.01 0.00 -0.02 0.05 -0.01 0.01 -0.02 0.03 -0.01 -0.04 -0.02 -0.01 -0.08 -0.05 -0.02 -0.09 -0.05 -0.02 0.03 0.01 0.03 0.05 -0.01 0.03 -0.01 0.03 0.04 -0.00 -0.00 -0.00 0.06 -0.02 0.01 0.06 -0.01 0.04 -0.02 0.03 -0.00 -0.02 0.03 0.09 -0.06 0.04 0.04 -0.02 0.03 -0.00 -0.02 -0.05 -0.03 -0.04 0.04 -0.02 -0.02 0.02 -0.01 0.00 0.01 -0.01 0.03 -0.06 0.02 -0.02 -0.00 0.02 0.18 0.51 0.43 0.09 0.38 0.30 0.02 0.04 0.02 0.00 0.00 -0.02 0.04 0.00 -0.02 0.05 -0.01 0.05 -0.02 0.01 -0.00 -0.06 0.00 -0.01 -0.04 0.06 -0.01 -0.06 0.06 0.01 0.04 0.02 0.07 -0.03 -0.08 0.00 0.18 0.01 0.12 -0.04 0.18 -0.03 -0.11 -0.07 -0.02 -0.28 -0.20 -0.07 -0.33 -0.17 -0.07 0.00 0.02 -0.04 -0.05 0.07 -0.05 0.02 -0.08 -0.02 -0.02 0.08 -0.05 -0.07 0.10 0.06 -0.13 0.01 -0.08 0.06 -0.07 -0.05 0.04 -0.16 0.18 -0.17 -0.15 -0.11 -0.08 0.16 -0.14 -0.13 0.04 0.08 -0.10 -0.13 0.08 0.08 -0.21 -0.16 0.21 0.06 0.15 0.18 -0.23 0.13 -0.03 0.04 -0.10 -0.06 -0.04 -0.03 0.00 -0.02 -0.05 0.03 -0.07 0.06 -0.04 -0.10 0.11 -0.06 -0.06 0.10 -0.07 0.14 -0.10 0.13 -0.02 -0.03 0.13 -0.05 0.01 0.12 -0.17 0.18 0.09 -0.18 0.20 0.04 0.02 0.00 0.03 -0.01 -0.01 0.12 0.00 0.05 -0.02 0.13 -0.02 -0.07 -0.04 -0.01 -0.18 -0.12 -0.04 -0.22 -0.11 -0.05 -0.05 -0.01 -0.04 -0.06 -0.02 -0.06 -0.03 -0.02 -0.05 0.01 -0.04 0.04 -0.04 -0.05 -0.13 0.01 0.07 -0.05 -0.02 0.02 0.04 -0.03 0.01 -0.14 0.08 -0.03 -0.04 0.11 -0.18 0.13 0.14 0.12 -0.01 0.16 0.03 -0.02 -0.04 0.15 0.14 0.25 -0.05 0.11 0.13 -0.15 0.08 0.11 -0.18 0.11 -0.03 0.02 -0.05 0.13 -0.20 0.12 -0.13 0.17 -0.16 0.02 -0.02 0.04 -0.03 -0.03 0.04 -0.05 0.02 -0.03 0.01 -0.00 -0.00 0.04 -0.00 -0.01 0.04 -0.04 0.04 -0.00 -0.06 0.05 -0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.04 -0.01 -0.01 0.01 -0.06 0.00 0.02 0.01 0.00 0.06 0.04 0.01 0.09 0.04 0.02 0.05 0.01 0.03 0.00 0.06 0.07 0.05 -0.03 0.05 -0.02 0.10 -0.08 -0.05 0.14 0.32 -0.20 -0.14 0.01 0.06 -0.07 -0.08 0.07 -0.10 0.23 -0.17 -0.03 -0.01 -0.18 0.31 -0.27 -0.26 -0.12 0.07 -0.27 -0.12 0.08 0.11 -0.33 -0.28 -0.10 0.02 -0.04 -0.06 0.06 -0.03 0.01 -0.04 0.07 0.02 0.01 -0.01 0.01 -0.03 0.05 -0.04 0.06 -0.05 -0.02 0.23 0.17 0.02 0.06 -0.04 -0.04 -0.23 -0.21 0.10 0.04 0.07 -0.05 -0.10 0.04 -0.04 -0.02 0.04 0.01 -0.13 -0.13 -0.03 0.04 -0.03 0.02 -0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.04 -0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 0.01 -0.08 0.10 0.01 -0.10 -0.00 -0.13 0.07 0.02 0.07 -0.00 -0.05 -0.02 -0.06 -0.07 -0.28 0.07 0.06 -0.07 0.08 -0.07 0.00 0.11 -0.06 0.11 0.00 -0.02 0.03 0.07 -0.18 -0.04 0.06 0.15 0.10 -0.11 -0.03 -0.02 0.14 -0.24 -0.02 0.04 -0.06 0.02 -0.04 0.02 -0.01 0.22 0.43 0.31 -0.09 -0.04 0.05 0.10 0.13 0.05 0.03 0.04 0.02 0.19 0.06 0.12 -0.00 -0.07 0.12 -0.09 -0.16 -0.10 -0.10 0.11 0.01 0.03 0.06 -0.17 0.06 0.02 -0.03 -0.14 -0.10 -0.00 0.02 -0.04 0.06 -0.06 -0.04 0.02 -0.03 0.03 0.03 0.01 0.02 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.11 -0.05 -0.07 0.04 0.01 0.02 -0.06 -0.08 -0.17 -0.00 0.03 0.03 0.01 0.04 0.27 -0.22 -0.00 -0.10 -0.05 0.01 0.01 -0.12 0.04 -0.24 0.10 -0.11 -0.15 -0.01 0.08 0.10 0.01 -0.00 -0.04 0.30 -0.05 0.04 -0.11 0.28 0.13 -0.13 0.14 0.00 0.02 -0.00 0.01 -0.03 0.28 0.25 0.09 0.03 -0.16 -0.03 0.02 0.16 -0.02 0.01 0.05 0.08 -0.06 0.01 -0.01 -0.10 0.09 0.01 0.04 0.06 -0.08 0.04 -0.06 0.06 0.12 -0.12 0.05 -0.03 -0.02 -0.09 -0.04 0.08 -0.02 0.07 -0.01 -0.01 -0.05 -0.01 -0.02 -0.00 0.03 -0.01 -0.06 -0.01 -0.01 -0.00 -0.01 0.01 0.02 0.00 0.05 0.02 0.01 0.06 0.11 -0.04 -0.11 0.00 -0.13 0.08 0.10 0.11 -0.03 -0.06 0.01 -0.05 -0.14 -0.21 -0.02 0.16 -0.12 0.01 0.01 0.02 0.09 -0.01 0.47 -0.25 -0.06 -0.05 0.14 -0.31 0.10 0.16 0.25 0.02 -0.21 0.10 -0.08 0.09 -0.19 0.04 -0.01 -0.04 0.04 -0.08 0.04 -0.02 -0.10 -0.06 -0.09 0.07 0.12 -0.11 -0.03 -0.12 0.06 -0.01 -0.04 0.04 0.05 0.16 0.13 -0.02 -0.06 -0.06 0.02 0.06 0.04 -0.02 -0.07 -0.04 0.02 0.10 0.12 -0.04 -0.07 -0.06 -0.14 -0.46 -0.41 0.01 -0.01 0.02 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 -0.02 -0.01 -0.02 -0.03 0.00 -0.00 -0.00 0.01 0.01 0.03 -0.06 -0.01 -0.05 0.01 -0.02 0.01 -0.02 0.01 -0.07 0.06 -0.03 -0.02 -0.01 0.02 0.00 -0.01 -0.00 0.02 0.08 -0.03 0.01 -0.00 0.03 0.03 -0.04 0.03 -0.00 -0.01 0.00 -0.00 -0.11 -0.33 -0.29 -0.05 -0.09 -0.04 -0.11 -0.38 -0.31 0.00 0.01 -0.00 0.02 -0.02 -0.03 0.04 0.02 -0.04 0.01 0.02 0.00 0.02 -0.04 0.03 -0.10 -0.10 0.12 -0.06 -0.01 0.02 0.02 0.14 0.12 0.29 -0.14 0.21 -0.09 0.01 -0.06 -0.08 0.04 -0.02 0.00 -0.04 0.00 0.01 -0.00 0.00 0.06 0.02 0.01 0.06 0.03 0.00 0.14 0.00 -0.04 -0.05 0.03 -0.08 0.04 0.03 -0.07 -0.05 0.04 0.03 0.01 -0.11 -0.08 -0.03 0.22 -0.11 -0.02 0.03 -0.01 0.03 -0.03 0.31 -0.27 -0.11 -0.22 0.09 -0.14 0.17 0.13 0.25 -0.03 -0.02 0.02 0.01 0.02 -0.04 0.07 -0.32 0.21 -0.11 -0.06 0.03 -0.05 0.04 0.08 0.03 -0.07 0.01 0.21 0.07 0.06 0.01 -0.03 0.05 -0.06 0.03 -0.01 -0.03 0.03 0.02 -0.03 0.01 0.01 -0.01 0.02 -0.03 0.03 -0.08 -0.08 0.10 -0.05 0.02 0.01 -0.02 0.06 0.04 -0.12 0.17 -0.08 0.02 -0.09 -0.00 -0.01 0.02 0.11 -0.00 -0.05 -0.02 -0.02 -0.01 -0.01 -0.03 0.01 -0.01 0.04 0.01 0.02 0.14 0.12 -0.10 0.11 -0.01 0.02 0.03 0.02 -0.05 0.00 -0.07 0.01 0.06 0.04 0.50 -0.34 -0.16 -0.16 -0.05 -0.01 0.03 -0.02 0.05 0.23 -0.10 -0.23 -0.22 -0.01 0.01 0.17 0.04 -0.15 -0.13 0.14 0.04 -0.11 -0.06 0.12 0.22 0.04 -0.05 0.12 -0.07 0.03 -0.00 0.03 0.04 -0.01 -0.07 -0.05 0.13 0.03 0.05 -0.02 -0.02 0.04 -0.04 0.02 0.07 0.06 -0.01 -0.01 -0.00 0.03 0.08 0.07 -0.02 -0.08 -0.07 -0.01 -0.04 -0.04 -0.02 -0.07 -0.06 0.10 0.33 0.29 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 0.01 -0.01 0.00 -0.01 -0.01 -0.02 -0.00 0.01 0.00 -0.01 -0.02 0.02 0.02 -0.00 -0.04 -0.00 0.01 -0.02 0.00 -0.02 0.02 -0.09 0.08 0.00 0.03 -0.01 0.02 -0.02 -0.02 0.00 0.03 0.06 -0.03 0.01 -0.01 0.03 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.14 0.39 0.33 0.17 0.47 0.38 -0.06 -0.17 -0.13 -0.00 -0.02 -0.01 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 0.00 0.01 0.01 0.01 0.02 0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.04 0.06 0.07 0.01 0.04 -0.01 -0.01 -0.02 -0.02 0.02 0.02 -0.00 -0.03 -0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.02 0.01 0.00 0.01 0.04 0.02 -0.00 0.04 -0.15 -0.03 -0.03 0.15 0.04 0.00 -0.06 -0.08 0.18 0.15 -0.22 -0.20 -0.22 -0.02 -0.08 0.02 -0.12 0.24 -0.20 0.37 0.04 0.29 -0.08 0.21 -0.05 -0.10 -0.03 0.14 0.28 -0.02 -0.16 -0.14 0.29 0.09 -0.06 0.03 -0.00 -0.05 0.02 -0.02 -0.02 -0.09 -0.07 -0.01 -0.04 -0.05 0.05 0.20 0.16 0.00 -0.01 0.00 0.02 0.04 0.04 -0.03 -0.09 -0.08 0.01 0.04 0.03 0.01 0.02 0.01 0.00 0.01 0.01 -0.01 -0.03 -0.02 0.05 0.13 0.11 -0.01 0.06 -0.01 0.01 -0.01 -0.02 0.00 0.02 0.02 -0.00 -0.03 0.00 -0.02 -0.00 -0.01 -0.00 0.01 -0.00 0.02 0.01 0.00 0.02 0.04 0.08 -0.03 0.03 0.10 0.01 -0.07 -0.05 -0.06 0.04 -0.04 0.05 -0.13 -0.14 0.22 0.09 0.20 0.01 -0.06 -0.07 -0.02 -0.02 -0.08 0.02 0.00 -0.01 0.10 -0.21 0.07 0.12 0.23 -0.13 0.22 -0.12 -0.01 -0.00 0.06 0.05 -0.01 -0.00 0.02 -0.06 0.02 -0.02 -0.04 -0.13 -0.12 -0.03 -0.04 -0.04 0.14 0.54 0.42 -0.00 -0.01 -0.00 -0.11 0.07 0.03 -0.12 -0.04 -0.07 -0.01 0.05 0.01 0.06 0.02 -0.06 0.04 0.04 -0.05 0.02 -0.07 0.06 0.03 -0.01 0.11 0.07 -0.01 0.04 -0.01 -0.00 -0.03 -0.02 0.02 0.02 0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.07 0.07 -0.09 0.06 -0.07 -0.01 -0.03 0.06 -0.10 0.08 -0.06 0.07 0.00 0.07 0.16 -0.08 -0.14 -0.06 0.02 0.05 0.08 0.02 -0.08 0.06 -0.14 -0.13 -0.23 -0.10 0.18 -0.10 -0.13 -0.35 0.10 -0.20 0.03 0.17 0.07 -0.17 -0.07 -0.07 0.05 -0.00 -0.03 0.01 -0.01 0.06 -0.01 -0.05 -0.14 0.12 -0.12 0.00 0.46 0.31 0.05 -0.07 0.05 0.11 0.02 0.04 0.04 -0.13 -0.07 0.04 0.04 0.05 -0.05 -0.05 0.01 -0.03 -0.02 0.05 -0.01 0.06 -0.04 -0.07 -0.04 -0.11 -0.10 -0.07 -0.04 -0.01 0.02 0.06 0.02 -0.05 -0.05 -0.00 0.07 -0.00 0.04 0.01 0.02 -0.00 -0.03 0.00 -0.05 -0.03 -0.01 0.02 -0.10 -0.03 -0.01 -0.02 -0.09 -0.01 0.05 0.04 0.03 -0.01 0.04 -0.04 0.03 0.02 -0.17 0.05 -0.18 0.01 0.06 0.03 0.02 0.00 0.03 -0.04 0.10 0.06 -0.04 0.07 -0.06 -0.06 -0.05 0.14 -0.22 0.09 0.04 0.03 -0.09 -0.10 0.08 -0.05 -0.02 0.14 -0.04 0.05 0.01 0.16 0.15 0.09 -0.14 0.06 0.24 0.52 0.45 -0.04 0.04 -0.05 0.05 0.01 0.02 0.04 -0.00 0.02 -0.00 -0.04 -0.02 0.01 0.07 0.08 -0.01 -0.02 0.01 -0.03 -0.05 -0.09 0.11 0.45 0.36 -0.00 0.03 -0.01 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.04 -0.02 -0.05 0.01 -0.02 0.05 -0.01 0.03 -0.02 -0.06 -0.08 0.03 0.03 -0.00 0.03 0.04 0.03 -0.06 0.03 -0.10 0.04 0.02 0.01 -0.03 0.03 -0.21 -0.10 -0.07 0.19 -0.13 -0.03 0.18 0.01 -0.04 -0.21 -0.01 0.01 0.02 -0.01 0.00 -0.00 -0.17 -0.45 -0.36 0.08 0.01 0.09 0.03 -0.10 -0.05 -0.02 0.03 -0.01 0.03 -0.05 -0.03 0.03 -0.02 0.01 0.02 0.01 0.02 -0.04 -0.05 -0.03 -0.01 -0.00 0.02 0.02 0.07 0.03 -0.08 -0.28 -0.28 0.06 0.11 0.00 0.03 -0.04 -0.07 -0.03 0.05 0.09 0.01 -0.05 -0.01 -0.03 -0.01 -0.02 -0.01 0.03 -0.00 0.05 0.02 0.01 0.01 0.02 -0.00 -0.06 -0.04 0.03 -0.08 -0.02 -0.01 0.05 -0.00 0.03 0.01 -0.15 -0.21 0.15 0.12 0.10 0.04 0.03 0.01 -0.11 0.08 -0.20 0.13 0.02 0.06 -0.02 -0.04 -0.34 -0.12 -0.08 0.22 -0.09 -0.08 0.24 -0.03 0.02 -0.34 -0.08 0.05 0.07 -0.11 0.04 -0.03 0.07 0.30 0.22 0.01 -0.10 -0.02 0.06 -0.02 0.03 -0.02 0.01 -0.02 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -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 -0.01 0.01 0.00 0.01 -0.10 -0.05 0.05 -0.07 0.03 -0.03 0.13 -0.16 0.02 -0.14 -0.05 0.09 -0.41 0.03 -0.07 0.10 0.18 0.08 -0.12 0.01 0.21 -0.26 -0.03 0.06 0.01 -0.14 0.14 0.13 -0.45 -0.17 -0.06 0.50 -0.02 -0.06 0.14 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.02 -0.00 0.02 0.01 0.02 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.03 0.01 -0.01 -0.01 0.01 -0.01 0.03 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.03 0.02 0.01 0.01 0.06 0.03 -0.03 -0.03 0.03 -0.02 -0.06 -0.13 -0.07 0.12 -0.05 0.09 -0.07 0.15 0.01 0.04 -0.01 -0.07 0.01 0.04 -0.07 0.05 0.03 -0.03 -0.08 -0.02 0.09 0.07 0.06 -0.08 0.10 -0.00 -0.06 -0.04 0.02 0.02 -0.03 -0.02 0.43 0.02 -0.05 0.07 -0.02 0.06 -0.04 -0.08 0.30 -0.19 0.10 0.02 -0.16 -0.17 0.04 -0.19 -0.25 -0.21 0.18 -0.16 -0.08 0.07 -0.16 -0.17 0.01 0.13 0.31 -0.08 0.15 0.01 -0.02 -0.07 -0.09 0.09 0.01 -0.07 0.05 0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.02 -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 -0.00 -0.02 -0.01 0.00 0.02 -0.04 0.04 -0.01 -0.05 -0.10 -0.06 0.08 -0.08 0.07 -0.07 0.15 0.00 0.05 -0.01 -0.06 0.01 0.05 -0.07 0.05 0.01 -0.01 0.05 0.02 -0.10 -0.05 -0.06 0.09 -0.04 -0.03 0.09 0.03 0.02 -0.12 0.02 0.05 -0.42 0.01 0.06 -0.07 -0.00 -0.07 0.08 0.04 -0.27 0.30 0.02 0.01 0.10 0.19 -0.01 0.34 0.26 0.21 -0.18 0.15 0.09 -0.07 0.14 -0.13 -0.07 0.07 0.28 -0.07 0.14 0.01 0.01 0.03 -0.02 -0.01 -0.03 -0.04 -0.01 -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.00 0.01 0.00 0.01 0.05 0.04 -0.04 -0.09 -0.08 0.02 0.05 0.05 -0.09 -0.35 -0.31 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.00 0.00 0.02 0.00 0.01 -0.01 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.10 -0.28 -0.24 0.18 0.58 0.48 0.01 0.06 0.04 0.00 0.00 0.00 0.01 -0.00 -0.03 -0.04 0.06 -0.04 -0.02 0.01 -0.01 0.02 0.01 -0.03 -0.03 0.00 0.01 0.02 -0.06 0.07 -0.00 -0.09 0.07 -0.07 -0.03 0.01 -0.04 0.01 0.08 0.05 -0.04 -0.09 -0.04 0.01 0.00 0.03 0.00 0.02 0.02 -0.02 0.01 -0.04 -0.02 -0.01 0.14 0.06 -0.02 -0.02 -0.03 0.01 -0.02 0.01 0.01 0.01 0.03 -0.01 0.10 -0.30 0.01 -0.02 0.18 -0.03 0.01 -0.01 0.01 -0.18 0.32 0.07 0.13 -0.13 -0.03 0.05 -0.18 -0.31 -0.04 0.15 0.20 0.11 -0.16 0.23 -0.12 0.19 -0.28 0.09 -0.10 -0.10 0.07 -0.02 0.01 0.02 0.06 -0.05 -0.22 0.09 -0.05 -0.23 0.11 -0.12 0.02 -0.02 0.02 0.01 -0.01 -0.02 -0.20 -0.17 0.30 -0.03 0.03 -0.03 0.35 -0.05 -0.08 -0.03 -0.03 0.04 -0.14 0.23 -0.20 -0.04 0.21 -0.32 -0.00 -0.01 0.02 -0.02 0.00 0.02 0.02 -0.01 -0.03 -0.03 0.00 -0.01 0.03 -0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.02 0.04 -0.01 -0.00 -0.01 0.02 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.02 -0.05 -0.04 0.05 0.00 0.04 0.00 -0.02 0.00 -0.05 0.11 0.05 0.03 -0.06 -0.03 0.01 -0.01 -0.07 -0.02 0.01 0.05 0.07 -0.05 0.04 -0.04 0.07 -0.05 0.02 -0.04 -0.04 0.04 -0.01 0.01 0.37 0.04 -0.22 -0.05 0.02 0.04 -0.22 -0.18 0.30 0.01 -0.01 0.01 -0.02 -0.03 -0.00 0.07 -0.03 0.01 0.03 -0.01 0.01 -0.06 -0.00 0.02 0.02 -0.00 -0.01 0.01 0.03 -0.02 0.01 -0.01 -0.07 0.03 -0.00 0.05 -0.03 0.01 0.03 0.02 -0.03 -0.06 -0.10 -0.00 -0.03 0.11 -0.00 0.04 0.03 -0.05 0.02 0.00 -0.04 0.01 -0.06 0.14 0.02 -0.03 0.08 0.04 -0.03 0.05 -0.05 0.06 -0.09 -0.07 -0.06 0.19 -0.06 0.05 0.16 0.06 0.02 -0.08 0.07 -0.08 0.12 0.08 -0.11 -0.03 -0.12 -0.00 -0.05 -0.21 -0.00 -0.41 -0.32 0.25 -0.23 0.27 0.03 -0.04 0.19 0.01 -0.12 -0.09 0.15 -0.03 0.05 -0.07 0.01 0.02 0.19 -0.09 0.05 0.27 -0.14 0.07 -0.02 0.02 -0.01 0.01 0.00 -0.00 -0.03 0.02 -0.01 -0.01 0.01 -0.00 0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.00 -0.03 0.02 0.05 -0.01 -0.02 -0.03 0.01 -0.00 -0.02 -0.02 0.00 0.04 0.07 0.01 0.02 -0.06 0.00 -0.02 -0.02 0.03 -0.01 -0.00 0.02 -0.01 0.03 -0.08 -0.01 0.02 0.05 -0.02 -0.06 0.05 0.02 -0.03 -0.03 -0.05 0.03 0.01 0.10 -0.20 0.33 -0.16 0.06 -0.03 0.04 -0.05 0.05 -0.06 -0.18 0.42 0.20 0.05 -0.18 -0.09 0.10 -0.11 -0.35 0.12 -0.23 0.38 0.13 -0.17 0.15 -0.01 0.07 0.06 -0.07 0.01 -0.02 0.04 -0.01 0.01 -0.08 0.03 -0.04 -0.14 0.06 -0.05 0.01 -0.01 0.01 0.03 0.02 -0.00 -0.01 -0.02 0.02 0.01 -0.00 0.00 -0.03 0.03 -0.02 -0.02 -0.02 0.03 0.04 -0.03 0.01 0.14 0.00 -0.03 -0.02 -0.06 -0.04 0.02 0.00 -0.02 -0.06 -0.05 0.04 0.11 0.05 0.02 -0.08 0.01 -0.03 -0.03 0.03 -0.02 -0.02 0.03 -0.01 -0.01 -0.03 -0.08 -0.08 -0.03 0.06 0.07 0.09 0.02 0.08 0.04 -0.03 -0.12 0.13 -0.30 0.25 -0.10 0.22 -0.06 -0.08 0.01 -0.07 0.30 0.34 -0.09 -0.11 -0.13 -0.05 0.23 -0.08 -0.09 -0.18 0.01 0.28 -0.11 -0.02 -0.14 0.21 0.11 -0.04 0.07 0.07 -0.03 -0.01 -0.00 -0.02 0.20 -0.25 -0.02 -0.02 0.04 -0.03 0.02 0.02 -0.00 0.00 -0.00 0.05 -0.01 0.01 -0.02 0.04 -0.04 -0.02 0.00 0.00 0.06 -0.03 0.01 -0.00 0.03 -0.03 -0.04 0.00 0.01 -0.19 -0.04 0.08 -0.01 0.08 -0.01 0.02 -0.01 -0.01 0.03 0.04 0.00 -0.06 -0.03 -0.01 0.04 -0.01 0.01 -0.00 0.00 0.01 0.05 -0.01 0.02 0.07 -0.13 0.15 -0.10 0.01 -0.06 0.07 -0.01 -0.06 0.08 -0.00 0.01 -0.19 0.24 -0.29 0.03 0.11 -0.02 -0.08 0.02 0.01 0.05 -0.02 0.19 -0.13 -0.00 -0.10 -0.08 0.25 -0.01 -0.06 -0.30 -0.09 0.08 -0.02 0.05 -0.10 0.10 0.07 0.03 -0.05 -0.01 -0.02 0.02 0.00 0.06 -0.28 0.31 -0.21 0.17 -0.09 -0.27 0.17 -0.12 0.01 -0.00 0.00 -0.06 -0.00 0.03 0.05 0.00 -0.03 -0.00 0.01 -0.01 0.03 -0.05 0.05 0.04 0.04 -0.07 -0.09 0.05 -0.01 -0.28 -0.00 0.06 -0.01 -0.05 -0.02 0.01 0.01 -0.01 -0.04 -0.04 0.02 0.07 0.04 0.01 -0.04 0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.03 -0.02 0.02 -0.01 0.02 0.02 0.02 0.00 -0.00 0.01 -0.01 0.07 -0.13 0.04 -0.02 0.05 -0.01 -0.00 -0.02 -0.00 -0.05 0.16 0.11 0.05 -0.17 -0.10 0.03 -0.09 -0.11 -0.01 0.09 0.09 0.07 -0.05 0.03 -0.07 0.10 -0.10 -0.04 0.02 0.03 0.00 -0.01 0.01 0.01 -0.48 0.58 0.04 0.06 -0.07 0.30 -0.12 0.05 0.01 -0.00 0.00 -0.08 -0.03 -0.00 -0.03 0.01 0.01 -0.01 0.01 -0.01 -0.02 0.02 -0.02 0.03 -0.02 0.01 0.03 0.01 -0.01 0.18 0.01 -0.13 -0.03 -0.04 -0.05 0.03 0.01 -0.02 -0.08 -0.11 0.02 0.11 0.07 0.02 -0.05 0.01 -0.05 -0.10 0.06 -0.03 0.08 -0.00 0.08 0.06 0.06 0.33 0.00 0.08 -0.12 0.02 -0.05 -0.13 0.00 -0.08 0.01 -0.01 0.04 0.17 -0.17 0.10 -0.20 -0.03 0.06 0.03 0.01 -0.07 0.02 0.04 -0.27 -0.25 0.01 -0.15 -0.15 -0.03 0.04 0.19 -0.08 0.01 0.11 -0.06 0.04 -0.13 -0.09 -0.06 0.04 0.02 -0.01 0.07 -0.02 0.28 -0.32 0.27 -0.17 0.08 0.03 -0.07 0.01 0.01 -0.01 0.01 -0.11 0.04 0.04 -0.02 0.00 -0.00 -0.03 0.04 -0.04 -0.03 0.02 -0.01 0.04 -0.02 0.00 -0.01 0.00 -0.01 0.10 0.06 -0.04 -0.00 0.03 0.00 0.01 -0.01 -0.01 0.04 0.06 0.01 -0.06 -0.03 0.00 0.03 -0.02 -0.01 -0.10 0.05 -0.00 0.12 -0.04 0.09 0.01 -0.12 -0.02 0.02 -0.06 -0.01 0.08 0.01 0.03 -0.01 0.05 0.04 0.05 -0.15 0.06 -0.17 0.29 -0.16 -0.04 0.01 -0.05 0.02 0.11 0.19 -0.06 0.05 0.02 -0.00 0.01 -0.03 0.01 -0.03 -0.09 0.16 -0.16 0.19 -0.14 0.20 -0.17 0.04 0.04 0.00 -0.07 0.04 0.03 -0.03 0.13 -0.15 0.36 -0.20 0.10 0.41 -0.20 0.14 0.02 -0.03 0.02 -0.02 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.02 -0.03 -0.06 -0.04 0.04 0.13 0.56 -0.25 0.08 -0.51 0.15 -0.43 0.01 -0.01 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 0.01 -0.03 0.04 -0.03 -0.01 0.00 -0.01 0.00 0.01 0.03 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.02 -0.02 0.04 -0.03 0.03 -0.03 0.03 0.05 0.04 0.11 -0.07 -0.27 -0.00 0.03 -0.04 0.07 -0.04 0.02 0.05 -0.03 0.02 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.02 0.02 -0.01 0.02 -0.02 -0.03 0.01 -0.00 -0.05 0.00 0.02 0.06 -0.00 -0.03 0.58 0.11 -0.30 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.03 0.06 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.04 -0.17 0.22 -0.51 0.26 -0.12 0.29 -0.16 0.11 0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.01 0.04 -0.09 0.04 -0.00 0.16 -0.06 -0.38 -0.24 -0.19 -0.41 -0.20 0.06 0.01 0.04 0.00 -0.01 -0.03 -0.01 0.01 -0.03 0.01 0.00 0.01 0.03 -0.02 -0.02 -0.03 -0.01 0.03 -0.02 -0.00 0.02 -0.03 0.02 -0.04 -0.03 -0.01 0.08 0.06 -0.02 0.09 0.12 0.01 -0.11 -0.11 0.04 -0.05 0.07 -0.00 0.01 -0.04 -0.06 -0.07 -0.04 0.57 -0.16 0.26 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.03 -0.02 0.01 0.00 -0.00 0.00 0.01 0.00 -0.03 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.08 -0.03 0.04 0.00 0.02 0.02 -0.02 -0.00 0.03 -0.03 -0.09 -0.02 0.04 0.07 -0.02 -0.02 -0.05 0.01 0.15 0.09 0.07 0.14 0.09 -0.03 0.02 0.14 -0.01 -0.04 -0.09 -0.03 0.03 -0.08 0.03 0.00 0.03 0.10 -0.04 -0.08 -0.10 -0.04 0.08 -0.05 0.00 0.05 -0.10 0.06 -0.12 -0.11 -0.00 0.22 0.19 -0.08 0.28 0.39 0.05 -0.34 -0.37 0.11 -0.16 0.23 0.00 0.03 -0.15 -0.06 -0.17 -0.06 -0.18 0.04 -0.09 0.00 -0.02 0.02 -0.04 0.02 -0.01 0.06 -0.05 0.02 -0.00 0.00 -0.00 0.01 0.02 -0.03 -0.04 0.03 -0.02 -0.10 0.11 -0.09 -0.00 0.02 -0.02 -0.00 -0.03 0.04 -0.02 -0.01 0.02 -0.21 -0.06 0.12 -0.02 0.02 -0.00 -0.02 -0.01 0.03 -0.00 -0.02 -0.01 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.01 0.15 -0.01 -0.02 -0.07 0.02 0.02 -0.08 -0.02 -0.01 0.05 -0.00 -0.05 -0.06 0.03 -0.19 0.14 -0.08 0.13 0.02 0.00 0.04 -0.07 -0.02 -0.15 0.03 0.08 0.07 -0.03 0.17 0.06 -0.01 -0.02 0.03 -0.16 0.19 -0.24 0.17 -0.25 0.31 -0.01 -0.07 -0.03 -0.00 -0.00 -0.00 -0.01 -0.03 0.04 0.21 -0.15 0.11 0.47 -0.24 0.12 0.04 -0.05 0.05 -0.03 -0.01 0.01 0.01 -0.00 0.00 0.03 -0.03 0.02 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 0.11 0.03 -0.06 -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 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.04 -0.01 -0.11 0.03 -0.06 0.05 0.02 0.06 0.07 -0.04 0.03 -0.21 -0.01 -0.19 0.57 -0.16 0.01 -0.03 -0.01 0.03 -0.11 -0.12 0.17 -0.35 -0.14 -0.04 0.28 0.06 0.01 0.03 -0.01 0.02 0.07 -0.19 0.15 -0.21 0.33 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.02 -0.02 0.02 -0.02 -0.09 0.05 -0.03 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.00 -0.01 0.01 0.02 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.03 0.02 0.00 -0.01 -0.00 -0.05 0.02 0.02 -0.08 -0.02 0.01 -0.14 0.32 -0.11 0.02 -0.08 0.01 0.11 0.03 -0.03 -0.25 0.42 0.10 0.25 -0.41 -0.15 -0.04 0.07 0.39 0.07 -0.04 -0.23 -0.03 -0.03 0.11 0.12 -0.10 -0.23 0.04 0.10 0.04 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.02 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.03 0.07 0.00 0.00 -0.00 0.03 0.02 -0.04 -0.01 0.02 -0.02 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.27 0.07 -0.15 0.07 0.20 0.08 -0.04 -0.02 0.03 -0.02 -0.10 -0.05 0.06 0.03 -0.02 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.03 0.03 -0.04 -0.02 -0.11 -0.04 0.01 0.01 0.01 -0.02 0.03 0.01 -0.03 0.02 0.00 -0.01 0.07 0.04 0.01 -0.03 0.01 0.03 -0.02 0.01 -0.03 0.05 0.04 0.04 -0.13 -0.06 0.02 -0.10 -0.06 0.02 0.02 -0.07 -0.03 0.04 -0.08 -0.00 0.02 -0.06 -0.24 -0.64 -0.26 0.03 -0.02 -0.00 -0.02 -0.10 0.14 0.23 -0.13 0.07 -0.25 0.15 -0.07 0.00 -0.01 0.01 -0.05 0.07 -0.04 -0.01 0.01 -0.01 -0.02 -0.11 0.14 0.03 -0.06 0.06 0.06 0.02 -0.05 0.00 0.00 -0.01 -0.25 -0.04 0.14 0.02 0.08 0.02 -0.01 -0.01 0.01 -0.01 -0.03 -0.02 0.02 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.01 -0.02 0.03 -0.07 0.00 0.01 0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.05 -0.04 -0.01 -0.02 0.00 0.02 0.00 0.02 -0.07 0.10 0.04 0.01 -0.02 -0.01 0.00 -0.02 -0.01 0.01 0.04 -0.01 -0.05 0.05 -0.05 0.02 -0.03 0.00 -0.09 -0.24 -0.10 0.01 -0.01 -0.00 0.06 0.30 -0.38 -0.38 0.28 -0.18 0.42 -0.22 0.12 -0.02 0.04 -0.04 0.10 0.01 -0.05 -0.01 0.01 -0.01 -0.05 0.05 -0.04 -0.00 0.00 -0.00 -0.02 -0.03 0.04 0.04 -0.01 -0.01 -0.25 -0.06 0.16 0.02 0.03 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.07 -0.01 0.01 0.05 -0.04 0.03 -0.00 0.07 0.04 -0.02 -0.05 -0.05 -0.10 0.36 -0.06 -0.09 0.17 -0.06 -0.04 0.02 -0.05 0.21 -0.34 -0.07 0.10 -0.22 -0.10 0.01 -0.06 0.09 -0.06 0.23 0.32 0.16 -0.23 0.34 -0.05 0.07 -0.01 -0.04 -0.10 -0.04 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.13 0.03 0.01 0.15 -0.07 0.04 0.02 -0.02 0.02 -0.11 0.01 0.05 0.01 -0.01 0.01 0.05 -0.06 0.04 0.00 0.00 -0.00 0.03 0.03 -0.04 -0.05 -0.00 0.02 0.25 0.05 -0.16 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.11 -0.00 -0.07 -0.03 0.03 0.02 0.00 -0.03 0.03 0.03 -0.11 -0.08 -0.07 0.14 -0.02 0.16 -0.03 0.13 -0.06 0.10 -0.08 0.01 -0.04 -0.00 0.06 0.08 0.11 -0.04 0.14 0.27 -0.10 0.18 0.44 0.07 -0.20 0.43 0.11 -0.16 0.27 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.17 -0.05 -0.01 -0.12 0.06 -0.03 -0.02 0.02 -0.02 0.01 0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.05 0.04 0.00 0.03 -0.09 0.05 0.05 -0.10 -0.06 -0.00 -0.03 -0.11 -0.09 0.23 -0.04 -0.11 0.40 -0.09 0.02 -0.00 0.10 -0.18 0.34 0.17 -0.19 0.37 0.13 -0.05 0.21 0.22 0.01 0.26 0.17 -0.21 0.16 -0.11 -0.09 0.14 -0.14 -0.03 -0.07 -0.03 0.00 -0.00 0.00 -0.01 -0.03 0.03 0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.03 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.06 -0.01 0.04 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 -0.06 0.01 0.01 0.04 -0.04 -0.01 0.03 -0.09 0.00 0.01 0.04 0.07 -0.05 0.16 0.03 -0.02 0.01 -0.04 -0.05 0.07 -0.09 -0.24 0.45 0.14 0.02 -0.02 0.04 0.04 -0.21 -0.40 0.00 0.02 0.07 0.04 -0.01 0.02 0.22 -0.34 0.50 -0.02 -0.04 -0.02 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 -0.05 0.01 0.01 0.01 -0.00 0.00 0.02 -0.02 0.02 0.01 0.00 -0.01 0.01 0.01 -0.02 -0.03 -0.00 0.02 0.11 0.01 -0.07 -0.01 -0.02 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.10 0.04 -0.01 0.03 -0.10 0.00 -0.02 0.01 0.00 -0.05 0.06 0.05 -0.29 0.70 -0.15 0.07 0.07 -0.01 0.00 -0.04 0.01 0.11 -0.23 -0.15 -0.04 0.06 0.02 0.07 -0.28 -0.31 0.01 0.02 -0.09 -0.06 0.04 -0.12 -0.06 0.11 -0.01 0.03 0.06 0.03 0.01 -0.00 0.00 0.01 -0.02 0.02 0.09 -0.03 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.25 0.31 -0.26 0.18 -0.12 0.16 0.05 -0.13 0.01 -0.23 0.27 -0.20 0.15 -0.09 0.24 0.07 -0.18 -0.16 0.01 0.04 0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.03 0.05 -0.05 -0.01 -0.01 0.02 0.01 -0.02 0.01 -0.00 0.01 -0.01 -0.07 0.15 -0.12 0.01 -0.03 0.03 -0.00 0.00 -0.01 0.01 -0.02 -0.02 -0.04 0.10 0.06 0.05 -0.07 0.03 -0.06 -0.04 0.05 -0.05 -0.01 0.03 -0.01 0.05 0.05 0.03 0.07 0.02 0.01 -0.00 0.00 0.03 0.28 -0.35 -0.01 0.03 -0.05 0.24 -0.08 0.02 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.04 -0.02 -0.03 0.15 0.38 0.10 -0.49 -0.27 -0.16 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.03 0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.03 -0.01 -0.32 0.24 0.56 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.05 -0.05 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.05 0.01 -0.06 -0.00 0.02 -0.00 -0.01 0.02 -0.00 -0.01 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.25 0.63 0.59 0.22 0.21 0.05 -0.08 0.02 -0.06 -0.05 0.02 0.16 0.03 -0.09 0.02 -0.15 -0.09 -0.00 -0.01 -0.00 -0.03 0.01 -0.07 -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 0.01 0.02 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.02 -0.00 -0.08 -0.01 -0.04 0.45 0.36 0.11 0.29 0.21 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.06 0.05 0.02 0.02 0.00 -0.01 0.00 -0.01 -0.00 0.00 0.02 0.00 -0.01 0.00 -0.02 -0.01 0.05 0.10 0.02 0.48 -0.30 0.43 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.05 0.03 -0.02 0.05 0.00 0.02 -0.01 0.02 -0.05 0.03 0.04 0.02 -0.02 -0.07 -0.07 -0.00 -0.01 -0.27 0.30 -0.26 0.33 0.33 -0.13 0.48 0.05 -0.14 0.03 -0.39 -0.33 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 -0.01 -0.04 -0.01 0.01 -0.01 -0.00 -0.04 0.03 -0.06 0.03 0.45 0.41 0.16 0.15 0.03 -0.03 -0.04 0.01 -0.06 0.14 0.14 0.01 0.02 -0.22 0.26 -0.18 0.27 0.21 -0.14 -0.31 -0.06 0.12 -0.04 0.29 0.19 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 -0.03 0.00 0.01 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.02 -0.01 -0.03 0.04 -0.03 0.51 -0.43 -0.12 0.04 -0.38 0.57 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.05 0.10 0.03 -0.15 0.11 0.10 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.03 0.02 0.01 0.01 -0.02 -0.05 0.01 0.01 0.01 -0.01 0.01 0.02 0.00 -0.01 -0.03 0.01 0.01 0.03 0.01 -0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 -0.00 0.01 -0.02 -0.02 -0.00 -0.01 -0.02 -0.03 -0.05 0.01 -0.00 0.02 -0.00 0.04 -0.03 -0.08 0.06 0.50 0.45 0.22 0.13 -0.02 0.02 0.03 -0.00 0.05 -0.10 -0.11 -0.03 -0.03 0.19 -0.20 0.21 -0.25 -0.20 0.09 0.27 0.05 -0.10 0.02 -0.24 -0.19 0.00 0.01 0.00 0.00 -0.00 -0.01 0.02 0.05 -0.07 -0.00 0.02 -0.02 0.03 0.01 -0.02 0.01 -0.00 0.00 -0.10 0.13 -0.11 -0.10 -0.04 0.09 0.24 -0.06 -0.03 -0.04 0.05 -0.04 -0.11 -0.00 0.05 0.16 -0.03 -0.03 -0.42 -0.15 0.32 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.05 -0.02 -0.00 0.02 -0.01 0.03 0.03 -0.05 0.03 -0.01 -0.01 -0.04 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.04 0.02 0.33 0.30 0.13 0.08 -0.00 0.01 0.01 -0.00 0.02 -0.05 -0.05 -0.03 -0.03 0.06 -0.07 0.06 -0.08 -0.07 0.02 0.05 0.02 -0.03 0.01 -0.05 -0.05 -0.05 -0.10 -0.04 0.01 -0.01 0.01 -0.06 -0.25 0.33 0.06 -0.11 0.11 -0.02 -0.11 0.14 -0.03 0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.03 -0.01 0.02 0.03 0.13 0.05 -0.00 -0.01 -0.00 -0.04 -0.14 -0.09 -0.00 -0.00 0.03 0.03 0.00 0.01 -0.19 0.05 0.01 -0.09 0.01 -0.11 -0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.02 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.39 0.81 0.27 -0.02 0.03 -0.04 -0.01 -0.02 0.02 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.15 -0.01 0.07 0.11 -0.07 0.04 0.02 0.10 -0.14 -0.12 -0.00 0.05 0.18 -0.12 0.07 0.02 0.08 -0.10 -0.41 0.01 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 0.05 0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.05 0.02 0.08 0.02 0.04 -0.00 0.00 0.00 0.01 -0.02 -0.02 -0.01 0.03 0.02 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.15 0.16 -0.13 -0.51 0.28 -0.13 -0.39 0.20 -0.10 0.01 -0.02 0.02 0.00 0.20 -0.25 0.12 -0.15 0.14 0.05 0.18 -0.23 -0.00 -0.27 0.33 -0.09 0.17 -0.16 -0.10 -0.10 0.16 0.29 -0.04 -0.05 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 0.01 -0.03 0.00 -0.03 0.00 -0.00 0.00 -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 0.01 0.02 0.01 -0.00 0.00 -0.00 0.01 0.29 -0.36 0.22 0.00 -0.09 -0.30 0.07 0.03 0.01 -0.02 0.02 0.22 -0.03 -0.06 -0.35 0.12 -0.01 0.35 -0.02 -0.12 -0.16 0.02 0.04 0.29 -0.11 0.02 -0.32 -0.00 0.13 0.27 0.10 -0.22 0.01 -0.01 -0.02 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.03 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.19 0.04 0.02 -0.21 0.19 -0.14 0.27 -0.23 0.18 -0.02 0.00 0.00 0.03 0.01 -0.02 -0.02 0.00 0.00 0.02 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.02 -0.00 0.01 0.02 0.00 -0.01 -0.47 -0.05 0.64 0.29 0.05 -0.38 0.02 -0.03 -0.08 0.01 0.02 0.01 -0.02 0.01 -0.01 0.05 -0.03 -0.02 0.05 0.01 0.08 0.04 0.01 -0.04 -0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.03 0.04 -0.02 0.01 -0.00 0.00 -0.00 0.01 -0.03 -0.10 -0.04 -0.05 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.01 0.02 -0.00 -0.00 0.01 -0.03 0.00 0.02 -0.26 -0.11 0.05 -0.04 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.02 -0.02 -0.05 -0.18 0.66 0.28 -0.42 -0.33 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.21 0.35 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.03 -0.05 0.03 -0.15 -0.06 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.03 -0.01 -0.00 0.01 0.01 -0.02 0.74 0.42 -0.17 -0.34 0.21 -0.20 -0.01 -0.06 -0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.17 -0.07 -0.01 0.04 -0.01 -0.08 -0.06 0.01 0.03 -0.03 -0.02 -0.00 -0.01 -0.01 0.03 -0.06 -0.04 0.01 -0.02 0.02 -0.01 -0.07 -0.41 -0.23 0.78 0.29 -0.16 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.03 -0.03 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.81 0.34 0.04 -0.18 0.05 0.35 -0.01 0.00 0.01 0.03 0.01 0.00 -0.01 -0.02 0.03 0.08 0.04 -0.02 -0.11 0.07 -0.07 -0.01 -0.09 -0.05 0.16 0.06 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.01 -0.04 -0.00 -0.00 0.00 -0.05 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.76 0.37 0.07 -0.12 -0.24 0.43 0.02 0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.08 -0.05 -0.04 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.07 0.02 -0.02 0.04 0.02 0.00 -0.03 0.01 0.07 0.02 0.04 0.02 -0.03 -0.02 -0.00 0.02 0.04 -0.07 0.28 0.17 -0.07 0.55 -0.36 0.34 -0.06 -0.45 -0.26 -0.20 -0.07 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -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 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.05 0.01 -0.01 -0.03 -0.01 -0.00 -0.06 0.02 0.14 -0.04 -0.06 -0.02 0.01 0.01 0.00 -0.02 -0.05 0.10 0.25 0.15 -0.06 0.34 -0.23 0.21 0.08 0.59 0.34 0.39 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.02 -0.09 -0.05 -0.19 0.65 -0.34 0.52 0.38 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.07 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.06 0.00 -0.07 0.00 0.00 0.00 0.01 0.00 0.00 -0.36 -0.15 -0.03 -0.38 0.12 0.81 0.00 0.01 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.01 -0.10 -0.06 0.02 -0.07 0.04 -0.04 -0.01 -0.07 -0.04 -0.04 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 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 0.05 0.05 -0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.45 -0.22 -0.05 -0.17 -0.40 0.73 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.06 -0.03 -0.08 -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.09 0.01 0.02 0.06 -0.24 -0.15 0.22 0.18 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.46 0.78 -0.06 -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 0.03 0.03 -0.06 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.02 0.02 -0.03 0.01 -0.01 0.01 -0.09 0.13 -0.12 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.14 -0.03 -0.02 -0.24 -0.22 0.36 -0.39 -0.39 0.63 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.04 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.03 0.03 -0.05 0.01 -0.02 0.02 -0.15 0.21 -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 0.00 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.20 -0.04 -0.03 -0.36 -0.34 0.55 0.25 0.25 -0.41 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.02 -0.01 0.02 0.04 -0.05 0.05 -0.41 0.59 -0.53 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.00 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.34 0.07 0.05 0.14 0.13 -0.20 -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 -0.08 0.02 0.01 -0.01 -0.02 0.03 0.01 -0.01 0.01 -0.11 0.16 -0.14 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 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 0.87 -0.19 -0.13 0.17 0.16 -0.26 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.01 -0.07 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.46 -0.13 0.88 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 6 6 6 6 6 6 1 6 8 7 8 6 1 1 6 6 6 6 1 1 6 1 1 1 1 1 1 1 1 1 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 30 31 32 33 6 6 6 6 6 6 1 6 8 7 8 6 1 1 6 6 6 6 1 1 6 1 1 1 1 1 1 1 1 1 1 1 9 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 15.99491 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 18.99840 237.11651 3078.57370 4955.19337 6480.93944 0.9998 0.01988 -0.00343 -0.01981 0.99961 0.01959 0.00382 -0.01952 0.9998 asymmetric 1 0.02813 0.01748 0.01336 0.58623 0.36421 0.27847 712906.4 36.35 59.97 81.58 85.09 115.04 127.29 211.70 242.13 304.32 339.62 354.58 401.77 436.04 492.84 521.24 537.68 565.36 595.46 663.09 682.55 742.91 763.10 772.72 897.67 918.29 972.61 1030.83 1087.85 1109.24 1140.39 1213.32 1254.83 1263.19 1279.11 1297.57 1307.87 1351.96 1385.62 1406.54 1426.67 1443.80 1462.70 1472.24 1491.33 1546.36 1564.37 1571.56 1623.86 1653.53 1656.41 1676.61 1731.71 1737.53 1754.51 1796.44 1807.97 1839.67 1854.04 1863.87 1888.36 1929.41 1935.14 1948.80 2027.77 2039.83 2042.95 2049.02 2064.69 2074.44 2082.98 2091.75 2119.56 2171.89 2191.59 2375.20 2413.39 2592.73 4331.56 4368.25 4372.66 4378.46 4403.60 4484.68 4488.98 4495.44 4500.64 4522.65 4577.93 4581.52 4584.14 4608.09 4619.85 5103.44 0.271532 0.287525 0.288469 0.226590 -809.059968 -809.043975 -809.043031 -809.104910 180.425 60.936 130.236 0.000 0.000 0.000 0.889 2.981 42.292 0.889 2.981 32.958 178.647 54.974 54.987 1 0.593 1.985 6.170 2 0.594 1.981 5.178 3 0.596 1.975 4.569 4 0.597 1.974 4.486 5 0.600 1.963 3.892 6 0.601 1.957 3.694 7 0.617 1.906 2.709 8 0.625 1.882 2.455 9 0.643 1.823 2.031 10 0.655 1.786 1.832 11 0.661 1.769 1.756 12 0.680 1.712 1.538 13 0.695 1.668 1.400 14 0.722 1.590 1.200 15 0.736 1.550 1.112 16 0.745 1.526 1.065 17 0.760 1.485 0.989 18 0.777 1.440 0.913 19 0.819 1.337 0.764 20 0.831 1.307 0.725 21 0.871 1.214 0.618 22 0.885 1.183 0.586 23 0.892 1.168 0.572 0.469696e+21 20.671817 47.598618 0.919498e+06 5.963551 13.731584 0.100000e+01 0.000000 0.000000 0.143515e+09 8.156897 18.781948 0.355934e+07 6.551370 15.085086 1ac ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.4575 2.7199 -5.6522 6.2893 -96.7918 -101.4046 -98.8410 3.6564 4.7415 3.9931 2.2207 -2.3921 0.1714 3.6564 4.7415 3.9931 -12.1855 -11.0470 -5.7895 -15.3282 -11.3915 -45.2376 5.9478 -5.4033 -8.1604 -11.7507 -2731.8854 -1754.8860 -655.3833 100.8519 3.9643 18.3712 6.9304 41.3536 -10.5199 -753.4560 -607.9897 -386.4858 36.6596 20.9422 17.6386 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -809.3315 1.327E-9 9.376E-6 0.2715317 0.287525 -809.043975 -809.0430308 -809.1049102 0.6683482,-1.2052817,0.5369335,2.6331067,-3.3534555,-3.5086579 C01 [X(C13H16F1N1O2)] -0.0579961 -0.9251447 -2.2941989 0.6433063 -0.1817952 0.0705665 -0.1921735 0.0414016 0.117117 0.2723796 0.0776537 0.098359 -0.3926412 0.2118524 0.188596 0.0941248 -0.2234493 0.0093507 0.0263409 0.0316188 -0.1474533 0.8128099 -0.3791188 -0.3322431 -0.4232849 0.8050059 0.6934062 -0.4202081 0.6992283 1.0270674 -0.1711754 -0.0868082 -0.112962 0.1056136 -0.248204 -0.039089 0.1437791 -0.0905115 -0.2786936 0.2581636 -0.0490825 0.0453125 -0.1146982 -0.0112693 0.1346396 -0.0641832 0.1489132 0.0517952 -0.4256736 0.0059247 -0.0817284 -0.0678386 -0.107718 0.0481417 -0.1550237 0.0848839 -0.1368845 0.0868495 0.0593467 0.0541775 0.0554069 0.0664909 -0.1090949 0.052741 -0.1095755 0.0396985 0.9162017 0.0840909 0.7928389 0.3171737 1.5441192 -0.4018679 0.6202576 -0.5327797 1.3639392 -0.9846263 -0.0099514 -0.6157235 -0.2639687 -0.7617884 -0.0255326 -0.4431729 0.2507893 -1.1104846 -0.2579716 0.5237312 -0.0961988 0.4016807 -0.4263575 0.3464252 0.070657 0.2174333 -0.4639032 -0.7659725 -0.284791 0.1995419 -0.0892449 -0.5830531 0.0881347 0.1501421 0.1984234 -0.5212454 0.7785941 0.1025483 -0.2537685 -0.1081272 0.1914799 0.045129 -0.2613748 -0.1275132 0.5469893 -0.0299559 -0.0474416 -0.0685718 0.0315931 0.0937297 -0.0730153 0.0458619 0.0087225 -0.1753199 -0.0448502 0.0195225 0.0189722 0.1481925 -0.0006037 0.0354481 -0.0501078 0.0970806 0.0001458 0.0293306 -0.0401947 -0.0417798 -0.0223181 -0.2484383 -0.0468924 -0.2597007 -0.0653094 -0.0113135 0.0808353 -0.049078 -0.0495281 -0.0428622 0.0628629 0.047646 0.0202403 0.0490628 0.0697067 -0.0507507 0.0436101 -0.0072038 -0.0229695 0.1462665 -0.0475434 0.0749522 -0.0550959 0.0714927 0.1724421 0.0600655 -0.0060116 0.000776 0.1214419 0.0172844 -0.0239206 -0.0460072 0.0776879 -0.1649957 -0.0957917 0.0795724 -0.0690259 -0.040935 0.0158059 0.0218939 -0.0142553 0.0584435 0.0502853 0.0616534 -0.1292003 0.0512095 -0.0056924 0.0402624 -0.0713614 0.0446591 -0.1227312 0.1665033 0.0081964 0.0176819 0.0871535 0.1094051 -0.0020407 -0.0900978 0.0243124 0.0748082 -0.1540097 -0.0662297 0.0779471 -0.088801 -0.0292548 0.0635034 0.0405132 0.0203465 0.0640428 0.0513821 0.0603725 -0.0741174 0.0665206 0.0469373 -0.1272223 -0.0152094 -0.0341906 -0.1178384 -0.1343743 -0.1559663 -0.0773415 -0.0994352 -0.062556 -0.0122654 -0.0317065 0.0052949 0.0191651 -0.0409095 0.1341218 0.1309793 0.0890672 -0.0457569 -0.0791931 0.0999332 -0.0947727 -0.0604924 0.0504062 0.0167332 0.0046627 0.0893719 -0.1834357 0.1375307 -0.0088803 0.1144676 -0.0181292 -0.2236301 -0.0272893 -0.0404523 -0.0966358 0.0381037 -0.0463332 -0.0074145 -0.0237812 0.0098321 0.3276814 -0.1682973 0.0202298 -0.1338283 0.1816394 0.0324959 -0.1033809 -0.0020493 0.2468636 -0.0105732 -0.0944815 0.0580274 -0.1013781 -0.0698244 -0.0097752 0.0331605 -0.0179707 0.0801026 -0.0537163 0.0521943 0.0065485 0.0544372 0.143041 -0.0362623 0.0087789 -0.0356413 0.1370138 0.0166606 -0.0440942 -0.0898184 -0.0555644 0.0925145 -0.081502 -0.0950837 -0.0795321 0.0136693 0.0573699 -0.0461083 -0.0893488 -0.0388927 0.1146514 -0.0869319 -0.0603812 -0.0841916 0.0446971 -0.5929956 0.3825557 0.4003437 0.4387261 -0.7507543 -0.6477592 0.4795759 -0.6597131 -0.9310307 233.9350715|-4.4607545|183.7800194|9.0328585|19.9858059|187.8586862 -0.000012290 -0.000013791 -0.000015081 0.000000910 0.000011209 0.000016618 0.000003192 -0.000003411 0.000005828 -0.000025481 -0.000011499 -0.000018153 0.000019102 0.000015344 0.000023707 0.000001471 -0.000003236 -0.000010625 -0.000001207 0.000006673 0.000003960 -0.000015213 0.000020021 -0.000020810 0.000006158 0.000008162 0.000006837 0.000041625 -0.000019694 -0.000000173 -0.000013909 0.000000602 0.000005936 0.000004678 0.000004438 0.000001257 -0.000001174 0.000002458 0.000005756 -0.000002226 -0.000000048 0.000006290 0.000005997 -0.000004798 0.000003555 0.000003922 -0.000002499 -0.000007360 -0.000000210 -0.000010360 -0.000007206 -0.000001431 0.000004032 0.000002406 -0.000003571 0.000005443 0.000004133 -0.000001395 0.000004300 -0.000001613 -0.000000394 -0.000004995 0.000000439 0.000000566 -0.000005417 -0.000001357 0.000000746 -0.000004911 -0.000005052 0.000001415 -0.000000279 -0.000003054 0.000001165 0.000002353 -0.000001443 0.000001668 -0.000002477 -0.000002924 0.000000944 0.000000108 -0.000002550 -0.000012411 0.000013329 0.000016419 -0.000000090 0.000002981 0.000004439 0.000004617 -0.000001171 0.000001033 -0.000007613 -0.000005692 -0.000013267 -0.000000377 -0.000004932 -0.000000187 0.000000814 -0.000002243 0.000002241 221.1430031999999 AuxInfo=1/0/N:12,18,21,5,6,4,16,17,2,1,3,8,15,33,10,9,11/E:(2,3)(7,8)/CRV:4.3,5.3,6.3,9.3,10.3,11.3,12.3,16.1/rA:33C3C3C3C3C3C3HC3O1NOCHHCCCCHHCHHHHHHHHHHHF/rB:s1;s2;s3;s4;s1s5;s6;;s8;s8;s10;s11;s12;s12;s1s8;s15;s15;s16;s16;s16;s17s18;s17;s17;s18;s18;s21;s21;s10;s12;s4;s5;s2;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;