Entering Gaussian System, Link 0=g16 Input=isavuconazole_2113413_PW6B95D3_opt_IR.com Output=isavuconazole_2113413_PW6B95D3_opt_IR.log Initial command: /opt/g16/l1.exe "/tmp/Gau-44199.inp" -scrdir="/tmp/" Default is to use a total of 6 processors: 6 via shared-memory 1 via Linda Entering Link 1 = /opt/g16/l1.exe PID= 44201. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision A.03, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016. ****************************************** Gaussian 16: ES64L-G16RevA.03 25-Dec-2016 26-Jul-2023 ****************************************** %mem=3000mb %nproc=4 Will use up to 4 processors via shared memory. ------------------------------------------------- # p PW6B95D3/6-31g(d,p) nosymm freq int=ultrafine ------------------------------------------------- 1/10=4,30=1,38=1/1,3; 2/12=2,15=1,17=6,18=5,40=1/2; 3/5=1,6=6,7=101,11=2,25=1,30=1,71=2,74=-76,75=-5,140=1/1,2,3; 4//1; 5/5=2,38=5,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=1,31=1/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7/8=1,10=1,25=1,30=1/1,2,3,16; 1/10=4,30=1/3; 99//99; -------------- gaussian input -------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 S 2.23267 5.3278 7.76413 F -0.16744 7.34613 1.44808 F 3.06061 10.11467 4.83284 O 2.79307 5.89937 5.09923 H 1.83919 5.73554 5.08435 N 4.78964 6.2553 1.47745 N 4.77344 8.24938 2.54277 N 4.7107 7.23183 3.43082 N 1.92626 7.69826 8.77806 N -0.17192 9.20611 15.9092 C 4.82409 7.60974 1.39354 C 4.70645 6.05563 2.77293 C 4.48306 7.50037 4.8232 C 2.99929 7.29382 5.1916 C 2.09462 8.06316 4.17156 C 1.31023 7.35106 3.26486 C 0.583 8.0418 2.31164 C 0.54927 9.43783 2.29193 C 1.3701 10.09067 3.16874 C 2.15551 9.44895 4.0711 C 2.64719 7.8156 6.51728 C 2.26356 7.0963 7.63701 C 1.75889 5.48605 9.38558 C 1.65294 6.82002 9.75735 C 1.26445 7.30976 11.08585 C 1.0745 6.44093 12.16304 C 0.70507 6.92447 13.40389 C 0.51986 8.29726 13.58826 C 0.71121 9.17421 12.51711 C 1.08049 8.68136 11.27987 C 0.13806 8.80013 14.86934 H 4.89488 8.13909 0.45771 H 4.64344 5.1075 3.27975 H 1.31402 6.27202 3.22615 H -0.16697 9.9402 1.65082 H 2.66063 8.88847 6.64633 H 1.57136 4.61339 9.98922 H 1.22277 5.37633 12.04076 H 0.56074 6.2486 14.235 H 0.56813 10.2357 12.6633 H 1.23186 9.34936 10.44421 H 4.77698 8.52762 5.00931 H 5.07911 6.82423 5.43583 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 16 0 2.232672 5.327795 7.764129 2 9 0 -0.167440 7.346127 1.448081 3 9 0 3.060614 10.114670 4.832842 4 8 0 2.793072 5.899374 5.099229 5 1 0 1.839188 5.735541 5.084351 6 7 0 4.789637 6.255296 1.477453 7 7 0 4.773436 8.249377 2.542768 8 7 0 4.710695 7.231826 3.430816 9 7 0 1.926260 7.698256 8.778063 10 7 0 -0.171916 9.206107 15.909198 11 6 0 4.824086 7.609741 1.393542 12 6 0 4.706448 6.055631 2.772930 13 6 0 4.483058 7.500373 4.823196 14 6 0 2.999290 7.293818 5.191599 15 6 0 2.094619 8.063164 4.171557 16 6 0 1.310225 7.351058 3.264859 17 6 0 0.582996 8.041804 2.311644 18 6 0 0.549273 9.437828 2.291933 19 6 0 1.370096 10.090671 3.168737 20 6 0 2.155514 9.448954 4.071097 21 6 0 2.647191 7.815596 6.517276 22 6 0 2.263558 7.096303 7.637008 23 6 0 1.758891 5.486047 9.385583 24 6 0 1.652944 6.820020 9.757347 25 6 0 1.264445 7.309761 11.085853 26 6 0 1.074504 6.440928 12.163044 27 6 0 0.705065 6.924466 13.403894 28 6 0 0.519857 8.297265 13.588258 29 6 0 0.711207 9.174208 12.517107 30 6 0 1.080495 8.681363 11.279869 31 6 0 0.138064 8.800125 14.869337 32 1 0 4.894879 8.139092 0.457714 33 1 0 4.643435 5.107502 3.279747 34 1 0 1.314023 6.272016 3.226152 35 1 0 -0.166970 9.940196 1.650816 36 1 0 2.660625 8.888471 6.646331 37 1 0 1.571363 4.613392 9.989223 38 1 0 1.222767 5.376327 12.040762 39 1 0 0.560742 6.248604 14.235004 40 1 0 0.568134 10.235698 12.663300 41 1 0 1.231865 9.349355 10.444207 42 1 0 4.776982 8.527624 5.009312 43 1 0 5.079112 6.824234 5.435833 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 F 7.051714 0.000000 3 F 5.673809 5.435234 0.000000 4 O 2.782525 4.918191 4.232170 0.000000 5 H 2.739032 4.454549 4.553231 0.967966 0.000000 6 N 6.849863 5.075765 5.398419 4.150929 4.688817 7 N 6.500287 5.140667 3.414310 3.997480 4.624806 8 N 5.342615 5.266925 3.605445 2.869897 3.635739 9 N 2.596350 7.631265 4.763463 4.185828 4.183699 10 N 9.336246 14.580242 11.574126 11.686790 11.544119 11 C 7.246177 4.998780 4.605788 4.558782 5.103363 12 C 5.617952 5.213002 4.840228 3.016138 3.696797 13 C 4.293416 5.748245 2.976237 2.344236 3.189496 14 C 3.327290 4.903554 2.844235 1.412633 1.945653 15 C 4.517508 3.612253 2.362016 2.455687 2.513218 16 C 5.018758 2.341837 3.627669 2.769681 2.490030 17 C 6.310061 1.338978 4.097780 4.152719 3.819001 18 C 7.047775 2.366638 3.636092 5.043432 4.813357 19 C 6.674328 3.585693 2.372272 4.828937 4.780877 20 C 5.534292 4.086344 1.357438 3.750074 3.862147 21 C 2.813472 5.817155 2.879927 2.388314 2.651937 22 C 1.773340 6.653945 4.196330 2.855407 2.923666 23 C 1.696651 8.377027 6.621638 4.428679 4.309210 24 C 2.556509 8.522587 6.089910 4.883190 4.800799 25 C 3.987418 9.743627 7.084764 6.337630 6.231093 26 C 4.683041 10.824613 8.436402 7.290010 7.154733 27 C 6.057218 11.995021 9.443990 8.624271 8.480246 28 C 6.758104 12.196759 9.296005 9.109391 8.978836 29 C 6.300837 11.253321 8.090248 8.371596 8.266960 30 C 4.993431 10.000213 6.894882 6.990901 6.902023 31 C 8.180980 13.503242 10.535680 10.531782 10.393818 32 H 8.268884 5.218879 5.138986 5.565752 6.043184 33 H 5.096076 5.613462 5.476236 2.713194 3.393351 34 H 4.725326 2.551467 4.516417 2.415547 2.004123 35 H 8.025280 2.601979 4.535750 6.081253 5.787310 36 H 3.756465 6.115438 2.225376 3.368348 3.613241 37 H 2.428733 9.134680 7.685714 5.201765 5.038722 38 H 4.394525 10.863594 8.819506 7.136128 6.992901 39 H 6.746515 12.854579 10.468834 9.411038 9.253762 40 H 7.131625 11.604819 8.218466 8.998290 8.905474 41 H 4.935319 9.322085 5.951256 6.550460 6.492807 42 H 4.929649 6.206900 2.344307 3.294189 4.053639 43 H 3.970203 6.610662 3.907032 2.488905 3.435971 6 7 8 9 10 6 N 0.000000 7 N 2.260867 0.000000 8 N 2.185285 1.352027 0.000000 9 N 7.973705 6.876703 6.046791 0.000000 10 N 15.543473 14.284022 13.544286 7.584790 0.000000 11 C 1.357479 1.316214 2.075130 7.933245 15.434140 12 C 1.313411 2.206804 1.347689 6.818305 14.362642 13 C 3.583044 2.417784 1.436196 4.713528 12.144042 14 C 4.251911 3.328212 2.456238 3.765327 11.339326 15 C 4.217784 3.140651 2.843180 4.624003 12.008985 16 C 4.062244 3.649962 3.406604 5.558369 12.865351 17 C 4.645785 4.201939 4.352759 6.613392 13.668174 18 C 5.364007 4.395326 4.845713 6.855077 13.638318 19 C 5.409603 3.919812 4.404689 6.123521 12.863887 20 C 4.885186 3.260106 3.443046 5.027229 12.067168 21 C 5.694245 4.528333 3.758334 2.375851 9.903993 22 C 6.710327 5.794855 4.868151 1.333463 8.877609 23 C 8.503863 7.971674 6.871691 2.300209 7.753993 24 C 8.872114 7.989411 7.038780 1.343502 6.846079 25 C 10.288840 9.283329 8.395374 2.432041 5.378096 26 C 11.314527 10.464334 9.492060 3.710048 4.820109 27 C 12.624243 11.673521 10.751829 4.846481 3.500218 28 C 13.002779 11.836303 11.039561 5.047252 2.586756 29 C 12.125494 10.809461 10.115801 4.199433 3.505311 30 C 10.757829 9.495334 8.768531 2.817952 4.824373 31 C 14.403328 13.180831 12.418063 6.443243 1.158542 32 H 2.144675 2.091497 3.113903 8.845069 16.295990 33 H 2.141745 3.229770 2.130751 6.657817 14.124065 34 H 3.890774 4.042834 3.535605 5.764782 13.102540 35 H 6.178713 5.297363 5.856218 7.759224 14.277268 36 H 6.179288 4.659575 4.157739 2.549546 9.691485 37 H 9.246803 8.883881 7.728150 3.333054 7.692734 38 H 11.183856 10.539144 9.473103 4.065890 5.619355 39 H 13.440190 12.588021 11.615477 5.808987 3.476570 40 H 12.601106 11.138007 10.555701 4.835099 3.484765 41 H 10.130825 8.728426 8.110107 2.446293 5.644223 42 H 4.199722 2.482191 2.043315 4.797703 11.989973 43 H 4.009521 3.239490 2.078931 4.677060 11.955668 11 12 13 14 15 11 C 0.000000 12 C 2.081300 0.000000 13 C 3.448302 2.518089 0.000000 14 C 4.225509 3.208965 1.542710 0.000000 15 C 3.920835 3.578826 2.538899 1.565506 0.000000 16 C 3.989482 3.668032 3.538019 2.562917 1.394443 17 C 4.360784 4.600057 4.670281 3.833028 2.396818 18 C 4.735297 5.380773 5.063170 4.359751 2.794778 19 C 4.608294 5.250662 4.374633 3.816888 2.375156 20 C 4.203960 4.439273 3.127312 2.571399 1.390760 21 C 5.570808 4.621487 2.517872 1.467530 2.422607 22 C 6.767628 5.541657 3.606521 2.561316 3.601765 23 C 8.819196 7.262210 5.682778 4.732455 5.825831 24 C 8.979590 7.660957 5.728723 4.783637 5.739472 25 C 10.329662 9.084323 7.043911 6.144280 7.004591 26 C 11.463318 10.075401 8.161742 7.282394 8.218038 27 C 12.715522 11.392249 9.393257 8.534734 9.405506 28 C 12.950296 11.812019 9.652373 8.812399 9.550337 29 C 11.962317 10.983463 8.730684 7.901535 8.532084 30 C 10.625550 9.613013 7.393294 6.532541 7.206852 31 C 14.316874 13.218375 11.022399 10.203636 10.900170 32 H 1.077496 3.120343 4.431139 5.168889 4.651865 33 H 3.138727 1.076932 2.851980 3.337419 4.003464 34 H 4.179535 3.429399 3.755289 2.783377 2.170560 35 H 5.514331 6.332392 6.135103 5.437432 3.871972 36 H 5.823015 5.216667 2.927781 2.184916 2.669457 37 H 9.666646 7.998981 6.595488 5.678103 6.783801 38 H 11.459534 9.924223 8.199654 7.331019 8.360838 39 H 13.598968 12.190294 10.272956 9.424551 10.340134 40 H 12.329486 11.507303 9.180189 8.389964 8.897177 41 H 9.891655 9.042668 6.751648 5.910915 6.461019 42 H 3.730753 3.334236 1.084562 2.171565 2.848268 43 H 4.125794 2.796548 1.089848 2.146117 3.469948 16 17 18 19 20 16 C 0.000000 17 C 1.383695 0.000000 18 C 2.424921 1.396570 0.000000 19 C 2.741952 2.356266 1.367019 0.000000 20 C 2.401187 2.747464 2.396989 1.357548 0.000000 21 C 3.547040 4.690353 4.988629 4.244956 2.982180 22 C 4.482123 5.663723 6.082051 5.452519 4.273448 23 C 6.414268 7.612834 8.209727 7.746154 6.641212 24 C 6.523179 7.620764 7.987704 7.361178 6.284689 25 C 7.821237 8.831025 9.075967 8.391981 7.387622 26 C 8.947715 9.992721 10.329381 9.711105 8.700368 27 C 10.166033 11.149052 11.393724 10.734317 9.776397 28 C 10.396757 11.279684 11.353797 10.606867 9.725128 29 C 9.449169 10.268897 10.229853 9.416266 8.573015 30 C 8.127907 9.004754 9.035343 8.237747 7.328796 31 C 11.753198 12.588434 12.600272 11.835855 11.004230 32 H 4.620693 4.694556 4.892378 4.856171 4.719788 33 H 4.017966 5.102403 6.040667 5.963141 5.065984 34 H 1.079743 2.121998 3.388211 3.819498 3.393372 35 H 3.389819 2.145468 1.084624 2.165479 3.390134 36 H 3.952413 4.880871 4.870358 3.899283 2.683488 37 H 7.264990 8.466174 9.141560 8.749864 7.664731 38 H 8.995759 10.107908 10.582488 10.047864 8.998437 39 H 11.050847 12.057470 12.361562 11.742180 10.774532 40 H 9.859135 10.581596 10.402029 9.529475 8.772952 41 H 7.452675 8.262524 8.181279 7.314446 6.440464 42 H 4.055346 5.010285 5.107460 4.175848 2.932779 43 H 4.381231 5.608751 6.102001 5.437475 4.159217 21 22 23 24 25 21 C 0.000000 22 C 1.385047 0.000000 23 C 3.800403 2.430047 0.000000 24 C 3.532387 2.223740 1.388855 0.000000 25 C 4.799974 3.596988 2.541914 1.468232 0.000000 26 C 6.019780 4.725290 3.015704 2.503134 1.396885 27 C 7.210511 5.976236 4.396183 3.769176 2.415507 28 C 7.399753 6.316659 5.205826 4.259345 2.791345 29 C 6.449173 5.526559 4.950416 3.747712 2.414689 30 C 5.087866 4.145177 3.776054 2.471916 1.397416 31 C 8.776214 7.728345 6.609217 5.687541 4.219558 32 H 6.471093 7.717093 9.827508 9.936462 11.261669 33 H 4.669085 5.348352 6.763514 7.337238 8.786513 34 H 3.871882 4.586580 6.225291 6.562902 7.928069 35 H 6.009647 7.059015 9.130991 8.874876 9.898892 36 H 1.080693 2.085898 4.460170 3.869410 4.914367 37 H 4.844165 3.489541 1.077532 2.220277 2.926978 38 H 6.203863 4.840931 2.710986 2.735560 2.156793 39 H 8.146905 6.866712 5.053112 4.644226 3.396823 40 H 6.924809 6.163917 5.892412 4.613917 3.396218 41 H 4.447061 3.744463 4.040246 2.654547 2.138391 42 H 2.704986 3.907783 6.124689 5.934590 7.123585 43 H 2.840169 3.584207 5.330585 5.514901 6.834482 26 27 28 29 30 26 C 0.000000 27 C 1.382029 0.000000 28 C 2.405173 1.397451 0.000000 29 C 2.779958 2.418216 1.397501 0.000000 30 C 2.408232 2.781927 2.406347 1.382038 0.000000 31 C 3.710357 2.446857 1.428215 2.449779 3.713026 32 H 12.429553 13.661385 13.841135 12.806387 11.487499 33 H 9.665829 11.014103 11.551791 10.831867 9.458804 34 H 8.941697 10.216798 10.587992 9.752331 8.409628 35 H 11.148680 12.165111 12.069527 10.928596 9.790786 36 H 6.240222 7.303847 7.288536 6.192567 4.899937 37 H 2.883098 4.213254 5.256390 5.284989 4.295941 38 H 1.081809 2.126706 3.379453 3.861670 3.394475 39 H 2.143352 1.080908 2.148712 3.396022 3.862808 40 H 3.860951 3.395804 2.148348 1.081020 2.142977 41 H 3.382028 3.862299 3.391004 2.144452 1.080489 42 H 8.320969 9.466765 9.579900 8.562452 7.280628 43 H 7.838315 9.090233 9.456144 8.645543 7.320562 31 32 33 34 35 31 C 0.000000 32 H 15.190758 0.000000 33 H 12.971215 4.149413 0.000000 34 H 11.972384 4.896198 3.527598 0.000000 35 H 13.271100 5.503615 7.010588 4.258001 0.000000 36 H 8.601683 6.622118 5.437017 4.511851 5.835802 37 H 6.587761 10.692333 7.395866 6.968241 10.046177 38 H 4.571631 12.461311 9.408965 8.860470 11.432902 39 H 2.662948 14.566139 11.746836 11.034618 13.134657 40 H 2.666914 13.118415 11.443668 10.262889 11.040947 41 H 4.591278 10.705720 8.997867 7.847107 8.923540 42 H 10.900179 4.569672 3.834901 4.501057 6.141459 43 H 10.830932 5.152132 2.790285 4.400401 7.180317 36 37 38 39 40 36 H 0.000000 37 H 5.535135 0.000000 38 H 6.595641 2.216394 0.000000 39 H 8.304599 4.660679 2.452314 0.000000 40 H 6.511333 6.306146 4.942629 4.285700 0.000000 41 H 4.083826 4.769865 4.281825 4.943198 2.480023 42 H 2.699816 7.099065 8.485541 10.396346 8.900306 43 H 3.402273 6.158367 7.784145 9.908200 9.177325 41 42 43 41 H 0.000000 42 H 6.540732 0.000000 43 H 6.801570 1.781780 0.000000 Symmetry turned off by external request. Stoichiometry C21H13F2N5OS Framework group C1[X(C21H13F2N5OS)] Deg. of freedom 123 Full point group C1 NOp 1 Rotational constants (GHZ): 0.3392423 0.0583594 0.0556532 Standard basis: 6-31G(d,p) (6D, 7F) 519 basis functions, 955 primitive gaussians, 519 cartesian basis functions 108 alpha electrons 108 beta electrons nuclear repulsion energy 2824.3526184308 Hartrees. NAtoms= 43 NActive= 43 NUniq= 43 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. Nuclear repulsion after empirical dispersion term = 2824.3173142061 Hartrees. One-electron integrals computed using PRISM. NBasis= 519 RedAO= T EigKep= 3.80D-04 NBF= 519 NBsUse= 519 1.00D-06 EigRej= -1.00D+00 NBFU= 519 ExpMin= 1.17D-01 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 7409 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 7409 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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. Integral accuracy reduced to 1.0D-05 until final iterations. EnCoef did 14 forward-backward iterations Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RPW6B95D3) = -1756.77841874 A.U. after 22 cycles NFock= 22 Conv=0.42D-08 -V/T= 2.0075 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 519 NBasis= 519 NAE= 108 NBE= 108 NFC= 0 NFV= 0 NROrb= 519 NOA= 108 NOB= 108 NVA= 411 NVB= 411 **** Warning!!: The largest alpha MO coefficient is 0.11746704D+02 **** Warning!!: The smallest alpha delta epsilon is 0.42952292D-01 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 44 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=1111111111111111111111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 4.44D-14 1.00D-09 XBig12= 1.56D+03 1.92D+01. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 4.44D-14 1.00D-09 XBig12= 3.73D+02 3.68D+00. 129 vectors produced by pass 2 Test12= 4.44D-14 1.00D-09 XBig12= 5.17D+00 3.12D-01. 129 vectors produced by pass 3 Test12= 4.44D-14 1.00D-09 XBig12= 3.60D-02 1.59D-02. 129 vectors produced by pass 4 Test12= 4.44D-14 1.00D-09 XBig12= 1.41D-04 1.01D-03. 129 vectors produced by pass 5 Test12= 4.44D-14 1.00D-09 XBig12= 3.01D-07 4.65D-05. 78 vectors produced by pass 6 Test12= 4.44D-14 1.00D-09 XBig12= 4.78D-10 1.47D-06. 3 vectors produced by pass 7 Test12= 4.44D-14 1.00D-09 XBig12= 7.26D-13 5.76D-08. 3 vectors produced by pass 8 Test12= 4.44D-14 1.00D-09 XBig12= 1.23D-15 2.62D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 858 with 132 vectors. Isotropic polarizability for W= 0.000000 389.84 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -89.33659 -24.90370 -24.90365 -19.37292 -14.57137 Alpha occ. eigenvalues -- -14.51735 -14.50179 -14.48791 -14.46781 -10.42895 Alpha occ. eigenvalues -- -10.41581 -10.40691 -10.40133 -10.39275 -10.38745 Alpha occ. eigenvalues -- -10.37843 -10.37336 -10.37304 -10.37208 -10.36103 Alpha occ. eigenvalues -- -10.35824 -10.35462 -10.35257 -10.35028 -10.35015 Alpha occ. eigenvalues -- -10.34949 -10.34242 -10.33415 -10.32866 -10.31794 Alpha occ. eigenvalues -- -8.12321 -6.05986 -6.05640 -6.05399 -1.26567 Alpha occ. eigenvalues -- -1.26011 -1.12175 -1.10981 -1.03457 -0.94470 Alpha occ. eigenvalues -- -0.93923 -0.92152 -0.90906 -0.87889 -0.86713 Alpha occ. eigenvalues -- -0.86575 -0.83927 -0.80936 -0.80578 -0.78294 Alpha occ. eigenvalues -- -0.77558 -0.74916 -0.70060 -0.69112 -0.66548 Alpha occ. eigenvalues -- -0.65928 -0.64544 -0.64030 -0.63019 -0.61762 Alpha occ. eigenvalues -- -0.60626 -0.59840 -0.58138 -0.57110 -0.56285 Alpha occ. eigenvalues -- -0.55239 -0.54635 -0.53321 -0.52708 -0.51959 Alpha occ. eigenvalues -- -0.50580 -0.49576 -0.49200 -0.48762 -0.48483 Alpha occ. eigenvalues -- -0.47874 -0.47247 -0.46775 -0.46247 -0.45818 Alpha occ. eigenvalues -- -0.45312 -0.44842 -0.44376 -0.43833 -0.43534 Alpha occ. eigenvalues -- -0.42771 -0.41524 -0.40947 -0.40146 -0.39709 Alpha occ. eigenvalues -- -0.38995 -0.38336 -0.38277 -0.37558 -0.35464 Alpha occ. eigenvalues -- -0.35170 -0.34403 -0.34369 -0.33470 -0.32870 Alpha occ. eigenvalues -- -0.30511 -0.30272 -0.29224 -0.28518 -0.27950 Alpha occ. eigenvalues -- -0.27487 -0.25681 -0.20208 Alpha virt. eigenvalues -- -0.15913 -0.07455 -0.02861 -0.01821 0.00021 Alpha virt. eigenvalues -- 0.00294 0.01019 0.01698 0.03881 0.04176 Alpha virt. eigenvalues -- 0.05493 0.06739 0.07379 0.09775 0.10305 Alpha virt. eigenvalues -- 0.10697 0.11015 0.12205 0.13791 0.14095 Alpha virt. eigenvalues -- 0.14258 0.14827 0.15565 0.16537 0.16718 Alpha virt. eigenvalues -- 0.17322 0.17704 0.17835 0.18278 0.19010 Alpha virt. eigenvalues -- 0.19633 0.20367 0.20639 0.21738 0.22469 Alpha virt. eigenvalues -- 0.23410 0.23845 0.25354 0.25962 0.27165 Alpha virt. eigenvalues -- 0.27517 0.28458 0.29561 0.30010 0.31554 Alpha virt. eigenvalues -- 0.32007 0.33052 0.34029 0.34559 0.35031 Alpha virt. eigenvalues -- 0.36059 0.36896 0.38737 0.40418 0.40809 Alpha virt. eigenvalues -- 0.41503 0.44087 0.44454 0.44918 0.46623 Alpha virt. eigenvalues -- 0.47653 0.48461 0.49141 0.49548 0.49841 Alpha virt. eigenvalues -- 0.50296 0.51286 0.52055 0.52745 0.53089 Alpha virt. eigenvalues -- 0.53341 0.53957 0.54472 0.54924 0.55581 Alpha virt. eigenvalues -- 0.56036 0.56273 0.56906 0.57174 0.57305 Alpha virt. eigenvalues -- 0.58233 0.59076 0.59509 0.59959 0.60258 Alpha virt. eigenvalues -- 0.61104 0.61379 0.62360 0.62496 0.63182 Alpha virt. eigenvalues -- 0.63804 0.64220 0.64987 0.66140 0.66551 Alpha virt. eigenvalues -- 0.66926 0.67178 0.67908 0.67942 0.68823 Alpha virt. eigenvalues -- 0.70473 0.70750 0.71286 0.71849 0.72524 Alpha virt. eigenvalues -- 0.72742 0.73082 0.73654 0.74495 0.75758 Alpha virt. eigenvalues -- 0.76349 0.76683 0.77265 0.77482 0.78180 Alpha virt. eigenvalues -- 0.78710 0.78814 0.79579 0.79866 0.81119 Alpha virt. eigenvalues -- 0.81641 0.82262 0.82592 0.83774 0.84254 Alpha virt. eigenvalues -- 0.84743 0.85291 0.85482 0.85981 0.86681 Alpha virt. eigenvalues -- 0.87097 0.87716 0.88299 0.88609 0.88773 Alpha virt. eigenvalues -- 0.89679 0.90143 0.90456 0.91144 0.92625 Alpha virt. eigenvalues -- 0.93041 0.93643 0.94258 0.95173 0.95866 Alpha virt. eigenvalues -- 0.97327 0.98639 0.98808 1.00074 1.01099 Alpha virt. eigenvalues -- 1.01497 1.02786 1.04019 1.04661 1.05931 Alpha virt. eigenvalues -- 1.07258 1.10130 1.10561 1.11442 1.12866 Alpha virt. eigenvalues -- 1.13144 1.15345 1.15902 1.16846 1.17772 Alpha virt. eigenvalues -- 1.19131 1.20811 1.21692 1.22290 1.22811 Alpha virt. eigenvalues -- 1.23306 1.24190 1.24645 1.25142 1.26745 Alpha virt. eigenvalues -- 1.27598 1.29035 1.29751 1.30362 1.31160 Alpha virt. eigenvalues -- 1.32006 1.33565 1.34731 1.35588 1.35794 Alpha virt. eigenvalues -- 1.36087 1.36516 1.37060 1.37439 1.38212 Alpha virt. eigenvalues -- 1.38714 1.40141 1.41139 1.42420 1.43287 Alpha virt. eigenvalues -- 1.43591 1.44455 1.45956 1.47022 1.47285 Alpha virt. eigenvalues -- 1.47488 1.48935 1.49672 1.50183 1.51100 Alpha virt. eigenvalues -- 1.52358 1.52911 1.53066 1.54594 1.56460 Alpha virt. eigenvalues -- 1.57718 1.59277 1.61306 1.62029 1.63024 Alpha virt. eigenvalues -- 1.66569 1.66924 1.68368 1.69933 1.71447 Alpha virt. eigenvalues -- 1.72172 1.74276 1.75504 1.75777 1.76440 Alpha virt. eigenvalues -- 1.76575 1.78077 1.78790 1.79288 1.80281 Alpha virt. eigenvalues -- 1.81926 1.82135 1.83207 1.83889 1.84272 Alpha virt. eigenvalues -- 1.85217 1.86816 1.87798 1.88219 1.88487 Alpha virt. eigenvalues -- 1.88985 1.90319 1.90818 1.91472 1.91774 Alpha virt. eigenvalues -- 1.92361 1.92778 1.94254 1.95364 1.95917 Alpha virt. eigenvalues -- 1.96001 1.96315 1.97049 1.98208 1.99415 Alpha virt. eigenvalues -- 1.99666 2.00654 2.01404 2.02163 2.02971 Alpha virt. eigenvalues -- 2.03715 2.04769 2.05582 2.05686 2.06524 Alpha virt. eigenvalues -- 2.07650 2.08566 2.09718 2.10102 2.10947 Alpha virt. eigenvalues -- 2.12257 2.13601 2.15346 2.16284 2.16837 Alpha virt. eigenvalues -- 2.19046 2.19459 2.20807 2.22695 2.23453 Alpha virt. eigenvalues -- 2.23802 2.24411 2.25688 2.26687 2.27078 Alpha virt. eigenvalues -- 2.27390 2.29523 2.30000 2.30662 2.31437 Alpha virt. eigenvalues -- 2.31878 2.31944 2.34422 2.35530 2.35853 Alpha virt. eigenvalues -- 2.37329 2.37757 2.38217 2.38899 2.39196 Alpha virt. eigenvalues -- 2.40554 2.42023 2.42712 2.43553 2.44158 Alpha virt. eigenvalues -- 2.46035 2.46449 2.47188 2.47834 2.48834 Alpha virt. eigenvalues -- 2.49533 2.50625 2.51552 2.52335 2.52644 Alpha virt. eigenvalues -- 2.54340 2.54671 2.56151 2.57394 2.58720 Alpha virt. eigenvalues -- 2.59547 2.60207 2.61139 2.62496 2.62647 Alpha virt. eigenvalues -- 2.63485 2.63659 2.64123 2.64698 2.65877 Alpha virt. eigenvalues -- 2.66397 2.67089 2.69005 2.69649 2.70211 Alpha virt. eigenvalues -- 2.71057 2.73581 2.75692 2.76344 2.77887 Alpha virt. eigenvalues -- 2.79602 2.82169 2.82259 2.82449 2.82826 Alpha virt. eigenvalues -- 2.83945 2.86736 2.88362 2.89593 2.92648 Alpha virt. eigenvalues -- 2.94432 2.95195 2.96299 2.97887 3.03267 Alpha virt. eigenvalues -- 3.03906 3.05376 3.07365 3.08941 3.11724 Alpha virt. eigenvalues -- 3.13917 3.15479 3.17350 3.18058 3.20310 Alpha virt. eigenvalues -- 3.23587 3.25691 3.29136 3.31652 3.34292 Alpha virt. eigenvalues -- 3.37508 3.39447 3.40554 3.42176 3.43143 Alpha virt. eigenvalues -- 3.48600 3.49513 3.49963 3.56469 3.65723 Alpha virt. eigenvalues -- 3.81592 3.81985 3.92034 4.02431 4.04501 Alpha virt. eigenvalues -- 4.04689 4.09112 4.09962 4.11113 4.12425 Alpha virt. eigenvalues -- 4.13704 4.15946 4.17584 4.20740 4.23688 Alpha virt. eigenvalues -- 4.27359 4.32188 4.32596 4.38211 4.39528 Alpha virt. eigenvalues -- 4.40118 4.41042 4.45270 4.51049 4.60518 Alpha virt. eigenvalues -- 4.63488 4.69263 4.76631 4.88309 5.25827 Alpha virt. eigenvalues -- 5.58693 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 S 15.325874 -0.000000 -0.000003 0.021132 0.000735 0.000000 2 F -0.000000 9.088833 0.000000 0.000000 0.000000 0.000000 3 F -0.000003 0.000000 9.123124 0.000011 0.000001 -0.000000 4 O 0.021132 0.000000 0.000011 8.213280 0.280381 -0.000055 5 H 0.000735 0.000000 0.000001 0.280381 0.414192 0.000006 6 N 0.000000 0.000000 -0.000000 -0.000055 0.000006 6.713939 7 N -0.000000 0.000000 -0.000009 0.000154 0.000005 -0.062083 8 N -0.000024 -0.000000 -0.000613 -0.003004 -0.000211 -0.076491 9 N -0.076468 -0.000000 -0.000006 0.000252 0.000006 -0.000000 10 N -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 C -0.000000 -0.000003 0.000027 0.000001 0.000003 0.449252 12 C 0.000005 -0.000000 -0.000016 0.002853 -0.000413 0.513546 13 C -0.000133 0.000000 -0.002015 -0.066847 0.009194 0.006001 14 C -0.002781 -0.000020 -0.001717 0.190906 -0.026409 -0.000099 15 C 0.000930 0.004336 -0.064335 -0.035679 -0.005023 -0.000226 16 C -0.000036 -0.041057 0.002137 -0.005269 0.004369 -0.000506 17 C -0.000011 0.280191 0.000062 0.001003 -0.000098 -0.000078 18 C 0.000001 -0.042783 0.001945 -0.000009 -0.000038 0.000000 19 C -0.000003 0.004105 -0.038903 -0.000088 0.000014 0.000005 20 C -0.000076 0.000079 0.253165 0.002645 0.000501 0.000036 21 C -0.079112 0.000000 -0.002440 -0.055469 -0.004408 -0.000002 22 C 0.268063 0.000000 0.000823 -0.008558 0.001776 0.000000 23 C 0.292655 0.000000 0.000000 0.000614 -0.000215 0.000000 24 C -0.071332 0.000000 -0.000000 0.000028 -0.000003 -0.000000 25 C 0.002246 0.000000 0.000000 0.000000 0.000000 0.000000 26 C 0.000159 -0.000000 0.000000 0.000000 0.000000 0.000000 27 C -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 28 C -0.000001 0.000000 0.000000 0.000000 -0.000000 0.000000 29 C 0.000015 0.000000 -0.000000 0.000000 -0.000000 -0.000000 30 C 0.000181 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 31 C -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 32 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.044316 33 H 0.000024 0.000000 0.000000 0.004642 -0.000186 -0.031568 34 H -0.000096 -0.000896 -0.000014 0.007812 0.000963 0.000078 35 H -0.000000 -0.000128 -0.000008 -0.000000 -0.000000 0.000000 36 H 0.004833 -0.000000 0.017574 0.002870 -0.000057 -0.000000 37 H -0.029579 0.000000 0.000000 -0.000000 0.000000 0.000000 38 H 0.000012 -0.000000 0.000000 0.000000 0.000000 0.000000 39 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 40 H -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 41 H 0.000113 -0.000000 0.000000 0.000000 -0.000000 0.000000 42 H -0.000020 -0.000000 0.011688 0.002999 -0.000231 -0.000184 43 H 0.000892 -0.000000 0.000162 -0.002001 -0.000342 0.000088 7 8 9 10 11 12 1 S -0.000000 -0.000024 -0.076468 -0.000000 -0.000000 0.000005 2 F 0.000000 -0.000000 -0.000000 0.000000 -0.000003 -0.000000 3 F -0.000009 -0.000613 -0.000006 0.000000 0.000027 -0.000016 4 O 0.000154 -0.003004 0.000252 0.000000 0.000001 0.002853 5 H 0.000005 -0.000211 0.000006 0.000000 0.000003 -0.000413 6 N -0.062083 -0.076491 -0.000000 0.000000 0.449252 0.513546 7 N 6.786570 0.267447 -0.000000 0.000000 0.465367 -0.103185 8 N 0.267447 6.775068 0.000000 0.000000 -0.110258 0.357221 9 N -0.000000 0.000000 6.927032 -0.000000 0.000000 0.000000 10 N 0.000000 0.000000 -0.000000 6.673734 0.000000 0.000000 11 C 0.465367 -0.110258 0.000000 0.000000 4.677354 -0.118540 12 C -0.103185 0.357221 0.000000 0.000000 -0.118540 4.695076 13 C -0.052800 0.248652 -0.000022 0.000000 0.009739 -0.043710 14 C -0.003308 -0.045998 0.002863 -0.000000 -0.000081 -0.000742 15 C 0.000290 -0.010698 -0.000077 -0.000000 0.000539 -0.000480 16 C -0.001360 0.004432 0.000001 0.000000 0.000538 0.003407 17 C 0.000220 -0.000217 -0.000000 0.000000 0.000459 0.000000 18 C -0.000189 0.000059 0.000000 0.000000 0.000007 0.000006 19 C 0.000138 -0.000321 -0.000001 0.000000 0.000008 -0.000038 20 C 0.004513 -0.002951 -0.000026 0.000000 0.000028 -0.000005 21 C -0.000151 0.005227 -0.049859 0.000000 -0.000011 0.000363 22 C -0.000001 -0.000023 0.388136 0.000000 -0.000000 -0.000002 23 C -0.000000 -0.000000 -0.115622 -0.000000 0.000000 -0.000000 24 C -0.000000 -0.000000 0.458422 -0.000000 -0.000000 0.000000 25 C -0.000000 0.000000 -0.064362 0.000014 -0.000000 -0.000000 26 C -0.000000 -0.000000 0.005424 -0.000088 -0.000000 -0.000000 27 C -0.000000 0.000000 -0.000121 -0.000048 -0.000000 0.000000 28 C -0.000000 -0.000000 -0.000007 -0.094261 0.000000 0.000000 29 C -0.000000 0.000000 0.000707 0.000030 0.000000 -0.000000 30 C -0.000000 0.000000 -0.010719 -0.000086 0.000000 0.000000 31 C 0.000000 0.000000 -0.000000 0.878408 0.000000 0.000000 32 H -0.051799 0.005965 -0.000000 0.000000 0.403559 0.006313 33 H 0.003237 -0.048003 -0.000000 0.000000 0.005960 0.390739 34 H -0.000084 0.000061 0.000000 0.000000 -0.000041 0.001331 35 H -0.000001 -0.000000 -0.000000 0.000000 0.000001 -0.000000 36 H -0.000015 0.000074 0.000180 -0.000000 -0.000000 -0.000005 37 H 0.000000 -0.000000 0.004544 0.000000 0.000000 -0.000000 38 H 0.000000 0.000000 0.000011 -0.000001 0.000000 0.000000 39 H 0.000000 -0.000000 0.000001 0.000587 0.000000 -0.000000 40 H 0.000000 -0.000000 -0.000003 0.000539 -0.000000 0.000000 41 H -0.000000 0.000000 0.016537 -0.000000 0.000000 0.000000 42 H 0.004897 -0.027788 0.000001 0.000000 -0.000102 0.004172 43 H 0.002932 -0.036806 -0.000019 0.000000 -0.000262 -0.000392 13 14 15 16 17 18 1 S -0.000133 -0.002781 0.000930 -0.000036 -0.000011 0.000001 2 F 0.000000 -0.000020 0.004336 -0.041057 0.280191 -0.042783 3 F -0.002015 -0.001717 -0.064335 0.002137 0.000062 0.001945 4 O -0.066847 0.190906 -0.035679 -0.005269 0.001003 -0.000009 5 H 0.009194 -0.026409 -0.005023 0.004369 -0.000098 -0.000038 6 N 0.006001 -0.000099 -0.000226 -0.000506 -0.000078 0.000000 7 N -0.052800 -0.003308 0.000290 -0.001360 0.000220 -0.000189 8 N 0.248652 -0.045998 -0.010698 0.004432 -0.000217 0.000059 9 N -0.000022 0.002863 -0.000077 0.000001 -0.000000 0.000000 10 N 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 11 C 0.009739 -0.000081 0.000539 0.000538 0.000459 0.000007 12 C -0.043710 -0.000742 -0.000480 0.003407 0.000000 0.000006 13 C 4.992514 0.346907 -0.084840 -0.008297 -0.000030 -0.000063 14 C 0.346907 4.999695 0.223455 -0.042949 0.004367 -0.000181 15 C -0.084840 0.223455 5.308942 0.425753 -0.016700 -0.017269 16 C -0.008297 -0.042949 0.425753 5.192539 0.485322 -0.086642 17 C -0.000030 0.004367 -0.016700 0.485322 4.501119 0.491497 18 C -0.000063 -0.000181 -0.017269 -0.086642 0.491497 5.042855 19 C 0.001056 0.008611 -0.065138 -0.060490 -0.015035 0.474935 20 C 0.002297 -0.041574 0.470276 -0.040788 -0.026985 -0.053329 21 C -0.073991 0.370554 -0.072458 0.001062 0.000042 -0.000137 22 C -0.000866 -0.024323 0.001193 0.000106 -0.000005 -0.000003 23 C -0.000002 0.000051 0.000008 -0.000001 -0.000000 -0.000000 24 C 0.000004 -0.000174 0.000003 0.000000 0.000000 -0.000000 25 C 0.000000 0.000002 -0.000000 -0.000000 -0.000000 -0.000000 26 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 27 C -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 28 C 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 29 C -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 30 C -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 31 C 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 32 H -0.000146 0.000001 0.000000 0.000009 0.000008 0.000007 33 H 0.002420 -0.000482 0.000141 0.000068 -0.000000 0.000000 34 H -0.000806 -0.009894 -0.048926 0.353478 -0.014212 0.006715 35 H 0.000001 0.000012 0.000569 0.005677 -0.042577 0.362431 36 H -0.001744 -0.025869 -0.009869 -0.000258 0.000013 -0.000019 37 H -0.000000 -0.000002 -0.000000 -0.000000 0.000000 -0.000000 38 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 39 H -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 40 H 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 41 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 42 H 0.371580 -0.029127 -0.006585 0.000025 0.000014 -0.000011 43 H 0.378608 -0.041242 0.006531 0.000056 -0.000001 -0.000000 19 20 21 22 23 24 1 S -0.000003 -0.000076 -0.079112 0.268063 0.292655 -0.071332 2 F 0.004105 0.000079 0.000000 0.000000 0.000000 0.000000 3 F -0.038903 0.253165 -0.002440 0.000823 0.000000 -0.000000 4 O -0.000088 0.002645 -0.055469 -0.008558 0.000614 0.000028 5 H 0.000014 0.000501 -0.004408 0.001776 -0.000215 -0.000003 6 N 0.000005 0.000036 -0.000002 0.000000 0.000000 -0.000000 7 N 0.000138 0.004513 -0.000151 -0.000001 -0.000000 -0.000000 8 N -0.000321 -0.002951 0.005227 -0.000023 -0.000000 -0.000000 9 N -0.000001 -0.000026 -0.049859 0.388136 -0.115622 0.458422 10 N 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 11 C 0.000008 0.000028 -0.000011 -0.000000 0.000000 -0.000000 12 C -0.000038 -0.000005 0.000363 -0.000002 -0.000000 0.000000 13 C 0.001056 0.002297 -0.073991 -0.000866 -0.000002 0.000004 14 C 0.008611 -0.041574 0.370554 -0.024323 0.000051 -0.000174 15 C -0.065138 0.470276 -0.072458 0.001193 0.000008 0.000003 16 C -0.060490 -0.040788 0.001062 0.000106 -0.000001 0.000000 17 C -0.015035 -0.026985 0.000042 -0.000005 -0.000000 0.000000 18 C 0.474935 -0.053329 -0.000137 -0.000003 -0.000000 -0.000000 19 C 5.251248 0.558638 0.001610 -0.000013 0.000000 0.000000 20 C 0.558638 4.538285 -0.002047 0.000262 0.000000 0.000001 21 C 0.001610 -0.002047 5.231379 0.450519 0.005330 0.004845 22 C -0.000013 0.000262 0.450519 5.000049 -0.057917 -0.058461 23 C 0.000000 0.000000 0.005330 -0.057917 5.478033 0.462724 24 C 0.000000 0.000001 0.004845 -0.058461 0.462724 4.689076 25 C 0.000000 0.000000 -0.000214 0.012615 -0.072173 0.330816 26 C -0.000000 0.000000 0.000004 -0.000075 -0.019920 -0.044644 27 C -0.000000 -0.000000 -0.000000 0.000002 0.000109 0.006463 28 C 0.000000 0.000000 0.000000 0.000001 -0.000001 0.000821 29 C -0.000000 -0.000000 -0.000000 -0.000018 -0.000236 0.007012 30 C -0.000000 -0.000000 -0.000025 -0.000141 0.012448 -0.037590 31 C 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000002 32 H 0.000001 -0.000001 -0.000000 -0.000000 -0.000000 0.000000 33 H -0.000000 -0.000009 0.000040 0.000000 0.000000 0.000000 34 H 0.000120 0.003747 0.000653 -0.000019 -0.000000 -0.000000 35 H -0.032877 0.003008 0.000003 -0.000000 0.000000 0.000000 36 H 0.000220 0.000609 0.349561 -0.025232 0.000057 0.000431 37 H 0.000000 0.000000 -0.000095 0.002545 0.355533 -0.005304 38 H -0.000000 0.000000 0.000000 -0.000005 0.004758 -0.012680 39 H 0.000000 -0.000000 0.000000 -0.000000 0.000006 -0.000188 40 H -0.000000 0.000000 -0.000000 0.000000 0.000001 -0.000187 41 H -0.000000 -0.000000 -0.000047 -0.000330 0.000641 -0.012828 42 H 0.000130 0.001696 -0.000247 0.000119 0.000000 0.000000 43 H -0.000002 -0.000026 -0.001327 0.000953 -0.000000 -0.000001 25 26 27 28 29 30 1 S 0.002246 0.000159 -0.000000 -0.000001 0.000015 0.000181 2 F 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 3 F 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 4 O 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 5 H 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 6 N 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 7 N -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 8 N 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 9 N -0.064362 0.005424 -0.000121 -0.000007 0.000707 -0.010719 10 N 0.000014 -0.000088 -0.000048 -0.094261 0.000030 -0.000086 11 C -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 12 C -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 13 C 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 14 C 0.000002 -0.000000 0.000000 -0.000000 0.000000 -0.000000 15 C -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 16 C -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 17 C -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 18 C -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 19 C 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 20 C 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 21 C -0.000214 0.000004 -0.000000 0.000000 -0.000000 -0.000025 22 C 0.012615 -0.000075 0.000002 0.000001 -0.000018 -0.000141 23 C -0.072173 -0.019920 0.000109 -0.000001 -0.000236 0.012448 24 C 0.330816 -0.044644 0.006463 0.000821 0.007012 -0.037590 25 C 4.839585 0.540426 -0.024017 -0.023369 -0.028081 0.498558 26 C 0.540426 4.936786 0.510704 -0.036717 -0.048366 -0.069287 27 C -0.024017 0.510704 4.822971 0.544330 -0.031880 -0.047268 28 C -0.023369 -0.036717 0.544330 4.873921 0.537717 -0.033575 29 C -0.028081 -0.048366 -0.031880 0.537717 4.851171 0.487481 30 C 0.498558 -0.069287 -0.047268 -0.033575 0.487481 4.954499 31 C 0.001320 0.005523 -0.039851 0.236373 -0.040093 0.005044 32 H 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 33 H -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 34 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 35 H 0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 36 H -0.000014 0.000000 -0.000000 0.000000 0.000000 -0.000007 37 H -0.006282 0.002677 0.000098 0.000001 0.000002 -0.000230 38 H -0.038005 0.366404 -0.033408 0.003770 0.000558 0.005162 39 H 0.003057 -0.031546 0.375443 -0.037862 0.004429 0.000603 40 H 0.003116 0.000588 0.004476 -0.039422 0.376790 -0.030822 41 H -0.037402 0.004887 0.000502 0.003651 -0.034926 0.374321 42 H 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 43 H 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 31 32 33 34 35 36 1 S -0.000000 -0.000000 0.000024 -0.000096 -0.000000 0.004833 2 F 0.000000 -0.000000 0.000000 -0.000896 -0.000128 -0.000000 3 F 0.000000 0.000000 0.000000 -0.000014 -0.000008 0.017574 4 O 0.000000 -0.000000 0.004642 0.007812 -0.000000 0.002870 5 H 0.000000 0.000000 -0.000186 0.000963 -0.000000 -0.000057 6 N 0.000000 -0.044316 -0.031568 0.000078 0.000000 -0.000000 7 N 0.000000 -0.051799 0.003237 -0.000084 -0.000001 -0.000015 8 N 0.000000 0.005965 -0.048003 0.000061 -0.000000 0.000074 9 N -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000180 10 N 0.878408 0.000000 0.000000 0.000000 0.000000 -0.000000 11 C 0.000000 0.403559 0.005960 -0.000041 0.000001 -0.000000 12 C 0.000000 0.006313 0.390739 0.001331 -0.000000 -0.000005 13 C 0.000000 -0.000146 0.002420 -0.000806 0.000001 -0.001744 14 C -0.000000 0.000001 -0.000482 -0.009894 0.000012 -0.025869 15 C -0.000000 0.000000 0.000141 -0.048926 0.000569 -0.009869 16 C -0.000000 0.000009 0.000068 0.353478 0.005677 -0.000258 17 C -0.000000 0.000008 -0.000000 -0.014212 -0.042577 0.000013 18 C -0.000000 0.000007 0.000000 0.006715 0.362431 -0.000019 19 C 0.000000 0.000001 -0.000000 0.000120 -0.032877 0.000220 20 C 0.000000 -0.000001 -0.000009 0.003747 0.003008 0.000609 21 C 0.000000 -0.000000 0.000040 0.000653 0.000003 0.349561 22 C 0.000000 -0.000000 0.000000 -0.000019 -0.000000 -0.025232 23 C -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000057 24 C 0.000002 0.000000 0.000000 -0.000000 0.000000 0.000431 25 C 0.001320 0.000000 -0.000000 -0.000000 0.000000 -0.000014 26 C 0.005523 0.000000 0.000000 -0.000000 -0.000000 0.000000 27 C -0.039851 0.000000 0.000000 0.000000 -0.000000 -0.000000 28 C 0.236373 0.000000 -0.000000 -0.000000 0.000000 0.000000 29 C -0.040093 -0.000000 -0.000000 0.000000 0.000000 0.000000 30 C 0.005044 -0.000000 -0.000000 0.000000 -0.000000 -0.000007 31 C 4.723823 0.000000 0.000000 -0.000000 0.000000 0.000000 32 H 0.000000 0.551153 -0.000130 0.000000 0.000000 -0.000000 33 H 0.000000 -0.000130 0.528411 0.000145 0.000000 -0.000001 34 H -0.000000 0.000000 0.000145 0.577098 -0.000141 -0.000028 35 H 0.000000 0.000000 0.000000 -0.000141 0.570083 0.000000 36 H 0.000000 -0.000000 -0.000001 -0.000028 0.000000 0.502100 37 H 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000001 38 H -0.000236 0.000000 0.000000 -0.000000 -0.000000 0.000000 39 H -0.006289 0.000000 0.000000 -0.000000 0.000000 0.000000 40 H -0.006536 -0.000000 0.000000 0.000000 -0.000000 -0.000000 41 H -0.000193 -0.000000 -0.000000 0.000000 -0.000000 0.000090 42 H 0.000000 -0.000024 -0.000106 -0.000002 -0.000000 0.000862 43 H 0.000000 0.000006 0.001242 -0.000010 -0.000000 0.000045 37 38 39 40 41 42 1 S -0.029579 0.000012 -0.000000 -0.000000 0.000113 -0.000020 2 F 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 3 F 0.000000 0.000000 -0.000000 0.000000 0.000000 0.011688 4 O -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.002999 5 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000231 6 N 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000184 7 N 0.000000 0.000000 0.000000 0.000000 -0.000000 0.004897 8 N -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.027788 9 N 0.004544 0.000011 0.000001 -0.000003 0.016537 0.000001 10 N 0.000000 -0.000001 0.000587 0.000539 -0.000000 0.000000 11 C 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000102 12 C -0.000000 0.000000 -0.000000 0.000000 0.000000 0.004172 13 C -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.371580 14 C -0.000002 -0.000000 -0.000000 -0.000000 0.000000 -0.029127 15 C -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.006585 16 C -0.000000 0.000000 0.000000 0.000000 0.000000 0.000025 17 C 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000014 18 C -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000011 19 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000130 20 C 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.001696 21 C -0.000095 0.000000 0.000000 -0.000000 -0.000047 -0.000247 22 C 0.002545 -0.000005 -0.000000 0.000000 -0.000330 0.000119 23 C 0.355533 0.004758 0.000006 0.000001 0.000641 0.000000 24 C -0.005304 -0.012680 -0.000188 -0.000187 -0.012828 0.000000 25 C -0.006282 -0.038005 0.003057 0.003116 -0.037402 0.000000 26 C 0.002677 0.366404 -0.031546 0.000588 0.004887 0.000000 27 C 0.000098 -0.033408 0.375443 0.004476 0.000502 -0.000000 28 C 0.000001 0.003770 -0.037862 -0.039422 0.003651 0.000000 29 C 0.000002 0.000558 0.004429 0.376790 -0.034926 0.000000 30 C -0.000230 0.005162 0.000603 -0.030822 0.374321 -0.000000 31 C 0.000000 -0.000236 -0.006289 -0.006536 -0.000193 0.000000 32 H 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000024 33 H 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000106 34 H -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000002 35 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 36 H 0.000001 0.000000 0.000000 -0.000000 0.000090 0.000862 37 H 0.506307 0.002794 -0.000002 0.000000 -0.000011 0.000000 38 H 0.002794 0.597925 -0.005144 0.000017 -0.000148 0.000000 39 H -0.000002 -0.005144 0.560954 -0.000148 0.000015 0.000000 40 H 0.000000 0.000017 -0.000148 0.557533 -0.004614 0.000000 41 H -0.000011 -0.000148 0.000015 -0.004614 0.541810 0.000000 42 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.509504 43 H 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.018834 43 1 S 0.000892 2 F -0.000000 3 F 0.000162 4 O -0.002001 5 H -0.000342 6 N 0.000088 7 N 0.002932 8 N -0.036806 9 N -0.000019 10 N 0.000000 11 C -0.000262 12 C -0.000392 13 C 0.378608 14 C -0.041242 15 C 0.006531 16 C 0.000056 17 C -0.000001 18 C -0.000000 19 C -0.000002 20 C -0.000026 21 C -0.001327 22 C 0.000953 23 C -0.000000 24 C -0.000001 25 C 0.000000 26 C 0.000000 27 C 0.000000 28 C -0.000000 29 C -0.000000 30 C 0.000000 31 C 0.000000 32 H 0.000006 33 H 0.001242 34 H -0.000010 35 H -0.000000 36 H 0.000045 37 H 0.000000 38 H 0.000000 39 H 0.000000 40 H 0.000000 41 H -0.000000 42 H -0.018834 43 H 0.555935 Mulliken charges: 1 1 S 0.341805 2 F -0.292657 3 F -0.300640 4 O -0.554603 5 H 0.325487 6 N -0.467342 7 N -0.260784 8 N -0.300800 9 N -0.486806 10 N -0.458828 11 C 0.216458 12 C 0.292498 13 C -0.032660 14 C 0.149546 15 C -0.004663 16 C -0.191327 17 C 0.351633 18 C -0.179786 19 C -0.087929 20 C 0.328032 21 C -0.079153 22 C 0.048832 23 C -0.346882 24 C 0.282748 25 C 0.062163 26 C -0.122939 27 C -0.088505 28 C 0.064631 29 C -0.082312 30 C -0.108543 31 C 0.242705 32 H 0.129394 33 H 0.143415 34 H 0.122969 35 H 0.133949 36 H 0.183598 37 H 0.167002 38 H 0.108216 39 H 0.136085 40 H 0.138671 41 H 0.147932 42 H 0.175574 43 H 0.153815 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 S 0.341805 2 F -0.292657 3 F -0.300640 4 O -0.229116 6 N -0.467342 7 N -0.260784 8 N -0.300800 9 N -0.486806 10 N -0.458828 11 C 0.345851 12 C 0.435913 13 C 0.296730 14 C 0.149546 15 C -0.004663 16 C -0.068358 17 C 0.351633 18 C -0.045837 19 C -0.087929 20 C 0.328032 21 C 0.104445 22 C 0.048832 23 C -0.179880 24 C 0.282748 25 C 0.062163 26 C -0.014723 27 C 0.047579 28 C 0.064631 29 C 0.056360 30 C 0.039389 31 C 0.242705 APT charges: 1 1 S 0.157007 2 F -0.621518 3 F -0.268759 4 O -0.381402 5 H 0.153183 6 N -0.460470 7 N -0.243510 8 N -0.347847 9 N -0.179163 10 N -0.397611 11 C 0.249178 12 C 0.325881 13 C 0.415826 14 C 0.140886 15 C 0.169803 16 C -0.205461 17 C 0.646296 18 C 0.311178 19 C -0.438610 20 C 0.140724 21 C 0.198843 22 C 0.103816 23 C -0.444214 24 C 0.122662 25 C 0.165964 26 C -0.134070 27 C 0.032247 28 C -0.013080 29 C 0.017107 30 C -0.159298 31 C 0.257686 32 H 0.062851 33 H 0.088935 34 H 0.084258 35 H 0.010386 36 H 0.050937 37 H 0.115444 38 H 0.060615 39 H 0.045076 40 H 0.047484 41 H 0.092848 42 H 0.043205 43 H -0.015312 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 S 0.157007 2 F -0.621518 3 F -0.268759 4 O -0.228219 6 N -0.460470 7 N -0.243510 8 N -0.347847 9 N -0.179163 10 N -0.397611 11 C 0.312029 12 C 0.414817 13 C 0.443719 14 C 0.140886 15 C 0.169803 16 C -0.121203 17 C 0.646296 18 C 0.321564 19 C -0.438610 20 C 0.140724 21 C 0.249781 22 C 0.103816 23 C -0.328770 24 C 0.122662 25 C 0.165964 26 C -0.073455 27 C 0.077323 28 C -0.013080 29 C 0.064591 30 C -0.066450 31 C 0.257686 Electronic spatial extent (au): = 101749.6088 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0165 Y= -5.0205 Z= 1.8636 Tot= 5.3553 Quadrupole moment (field-independent basis, Debye-Ang): XX= -180.4772 YY= -246.9663 ZZ= -217.2418 XY= -6.1754 XZ= 24.6970 YZ= -42.0687 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 34.4180 YY= -32.0712 ZZ= -2.3467 XY= -6.1754 XZ= 24.6970 YZ= -42.0687 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -1130.4342 YYY= -4797.1448 ZZZ= -5219.2453 XYY= -470.3829 XXY= -1376.2779 XXZ= -1180.0387 XZZ= -76.3324 YZZ= -2316.4271 YYZ= -1885.6130 XYZ= 134.0645 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -7433.9872 YYYY= -71113.0321 ZZZZ= -105913.0305 XXXY= -8265.9080 XXXZ= -5488.7410 YYYX= -9419.6549 YYYZ= -35212.9038 ZZZX= -2247.9196 ZZZY= -49192.1569 XXYY= -12133.5843 XXZZ= -12713.0123 YYZZ= -34012.7472 XXYZ= -9133.3802 YYXZ= -1160.2110 ZZXY= -733.7450 N-N= 2.824317314206D+03 E-N=-9.757703736033D+03 KE= 1.743627749187D+03 Exact polarizability: 168.009 -30.981 299.949 -21.901-101.112 701.551 Approx polarizability: 307.125-212.1201183.143 253.994********2097.033 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -0.0018 0.0008 0.0014 3.1675 7.2310 12.5993 Low frequencies --- 15.9367 23.1094 28.8273 Diagonal vibrational polarizability: 109.8184948 68.0971222 101.9674669 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- 15.7875 23.0990 28.6973 Red. masses -- 9.9174 4.2730 7.7663 Frc consts -- 0.0015 0.0013 0.0038 IR Inten -- 0.4032 0.1123 1.1180 Atom AN X Y Z X Y Z X Y Z 1 16 0.09 -0.02 0.00 0.04 0.01 0.01 0.16 0.03 0.05 2 9 -0.21 0.05 0.27 0.00 0.07 -0.03 0.14 0.03 -0.13 3 9 0.17 -0.03 -0.02 0.03 0.00 0.00 -0.05 0.04 0.05 4 8 0.11 -0.02 -0.00 -0.05 0.01 -0.00 -0.05 0.03 0.03 5 1 0.11 -0.02 0.04 -0.05 0.03 0.01 -0.06 0.05 0.05 6 7 -0.09 0.01 -0.11 -0.04 -0.07 0.01 -0.21 -0.09 -0.00 7 7 -0.02 -0.01 -0.09 -0.01 -0.06 -0.01 -0.11 -0.06 -0.06 8 7 0.02 -0.02 -0.10 -0.02 -0.05 -0.00 -0.08 -0.04 -0.02 9 7 0.12 -0.01 -0.00 0.01 0.01 0.01 0.05 0.02 0.04 10 7 -0.25 0.03 -0.12 -0.08 -0.04 -0.00 -0.20 -0.05 -0.02 11 6 -0.09 0.01 -0.10 -0.02 -0.07 -0.01 -0.19 -0.09 -0.04 12 6 -0.02 -0.01 -0.11 -0.04 -0.05 0.01 -0.14 -0.05 0.01 13 6 0.10 -0.03 -0.08 -0.02 -0.02 -0.00 -0.04 0.01 -0.02 14 6 0.12 -0.03 -0.00 -0.02 0.01 -0.00 -0.03 0.03 0.01 15 6 0.06 -0.01 0.06 -0.00 0.02 -0.01 -0.02 0.03 -0.00 16 6 -0.04 0.01 0.14 -0.01 0.04 -0.01 0.03 0.03 -0.04 17 6 -0.11 0.03 0.20 0.01 0.05 -0.02 0.09 0.03 -0.09 18 6 -0.09 0.03 0.21 0.04 0.05 -0.02 0.09 0.03 -0.09 19 6 0.01 0.01 0.14 0.05 0.04 -0.02 0.04 0.03 -0.04 20 6 0.08 -0.01 0.06 0.02 0.02 -0.01 -0.02 0.03 0.00 21 6 0.17 -0.03 0.01 -0.01 0.01 -0.00 -0.01 0.04 0.02 22 6 0.13 -0.02 0.00 0.00 0.01 0.00 0.06 0.03 0.04 23 6 0.04 -0.01 -0.01 0.06 0.01 0.02 0.19 0.01 0.06 24 6 0.06 -0.00 -0.01 0.04 0.01 0.01 0.11 0.01 0.05 25 6 0.01 0.01 -0.03 0.03 0.01 0.01 0.07 -0.00 0.04 26 6 -0.04 0.01 -0.04 0.25 0.02 0.06 -0.09 -0.02 -0.00 27 6 -0.10 0.02 -0.06 0.22 0.01 0.06 -0.15 -0.03 -0.02 28 6 -0.11 0.02 -0.08 -0.02 -0.02 0.01 -0.05 -0.02 0.02 29 6 -0.06 0.01 -0.07 -0.23 -0.03 -0.04 0.12 -0.00 0.06 30 6 0.01 0.01 -0.05 -0.20 -0.02 -0.04 0.18 0.01 0.08 31 6 -0.18 0.03 -0.10 -0.05 -0.03 0.00 -0.13 -0.04 -0.00 32 1 -0.13 0.02 -0.09 -0.01 -0.09 -0.01 -0.23 -0.12 -0.06 33 1 -0.00 -0.01 -0.12 -0.06 -0.05 0.03 -0.14 -0.04 0.03 34 1 -0.07 0.01 0.13 -0.03 0.04 -0.01 0.05 0.03 -0.04 35 1 -0.15 0.04 0.29 0.06 0.07 -0.03 0.14 0.03 -0.15 36 1 0.21 -0.03 0.01 -0.02 0.01 -0.01 -0.04 0.04 0.01 37 1 -0.00 -0.00 -0.02 0.07 0.01 0.02 0.27 0.01 0.07 38 1 -0.03 0.01 -0.02 0.44 0.04 0.10 -0.18 -0.03 -0.03 39 1 -0.14 0.02 -0.06 0.39 0.02 0.10 -0.28 -0.05 -0.05 40 1 -0.07 0.02 -0.08 -0.41 -0.05 -0.08 0.19 0.00 0.09 41 1 0.05 0.00 -0.05 -0.35 -0.03 -0.07 0.29 0.02 0.11 42 1 0.12 -0.04 -0.08 -0.00 -0.03 -0.02 -0.02 0.01 -0.06 43 1 0.13 -0.05 -0.12 -0.03 -0.03 0.00 -0.03 0.02 -0.02 4 5 6 A A A Frequencies -- 33.2274 42.5231 47.6369 Red. masses -- 8.0318 6.9844 9.9937 Frc consts -- 0.0052 0.0074 0.0134 IR Inten -- 0.4798 0.6958 0.7998 Atom AN X Y Z X Y Z X Y Z 1 16 0.08 0.06 -0.03 0.13 -0.07 0.06 0.02 -0.11 -0.01 2 9 -0.18 0.06 0.07 -0.12 0.09 -0.02 0.13 0.12 -0.11 3 9 -0.03 0.06 -0.07 0.04 -0.08 -0.03 -0.19 0.04 0.26 4 8 -0.05 0.07 -0.02 -0.13 -0.06 -0.04 0.02 -0.01 -0.06 5 1 -0.05 0.06 -0.02 -0.14 -0.05 0.01 0.02 -0.02 -0.08 6 7 0.27 -0.23 0.13 0.06 0.15 -0.03 0.11 -0.08 0.03 7 7 0.04 -0.13 -0.05 0.12 0.07 0.14 -0.07 -0.04 -0.06 8 7 0.02 -0.05 0.04 -0.03 -0.00 0.05 -0.00 -0.00 -0.01 9 7 -0.03 0.04 -0.02 -0.07 -0.07 -0.01 0.02 -0.11 -0.01 10 7 -0.03 -0.11 0.02 -0.05 0.13 -0.07 0.03 0.25 -0.15 11 6 0.19 -0.23 0.01 0.17 0.16 0.09 -0.00 -0.08 -0.03 12 6 0.17 -0.11 0.14 -0.06 0.05 -0.05 0.11 -0.03 0.04 13 6 -0.04 0.06 0.00 -0.09 -0.10 0.05 -0.01 0.04 -0.02 14 6 -0.05 0.07 -0.03 -0.11 -0.07 -0.02 0.00 -0.02 -0.01 15 6 -0.05 0.06 -0.04 -0.06 -0.03 -0.04 -0.02 0.02 0.04 16 6 -0.09 0.06 -0.00 -0.10 0.01 -0.03 0.06 0.05 -0.06 17 6 -0.13 0.06 0.03 -0.07 0.05 -0.03 0.03 0.09 -0.00 18 6 -0.12 0.06 0.01 0.02 0.05 -0.05 -0.11 0.09 0.16 19 6 -0.08 0.06 -0.02 0.06 0.00 -0.05 -0.19 0.07 0.25 20 6 -0.05 0.06 -0.05 0.02 -0.04 -0.04 -0.14 0.04 0.18 21 6 -0.06 0.07 -0.04 -0.14 -0.07 -0.03 0.01 -0.08 0.01 22 6 -0.02 0.06 -0.03 -0.05 -0.07 -0.00 0.02 -0.11 -0.01 23 6 0.10 0.04 -0.02 0.19 -0.06 0.08 0.02 -0.11 -0.00 24 6 0.03 0.03 -0.02 0.05 -0.06 0.03 0.02 -0.11 -0.01 25 6 0.02 0.01 -0.01 0.04 -0.03 0.02 0.01 -0.07 -0.02 26 6 -0.04 -0.02 -0.04 0.00 -0.00 0.04 0.02 -0.01 0.02 27 6 -0.06 -0.05 -0.04 -0.02 0.03 0.02 0.02 0.06 -0.00 28 6 -0.00 -0.05 0.00 0.00 0.04 -0.02 0.02 0.07 -0.08 29 6 0.07 -0.02 0.04 0.04 0.01 -0.04 0.01 0.01 -0.13 30 6 0.08 0.01 0.03 0.06 -0.02 -0.02 0.01 -0.06 -0.10 31 6 -0.02 -0.08 0.01 -0.03 0.09 -0.05 0.02 0.15 -0.11 32 1 0.24 -0.31 -0.03 0.29 0.23 0.14 -0.04 -0.12 -0.05 33 1 0.18 -0.07 0.22 -0.17 0.01 -0.14 0.18 -0.01 0.08 34 1 -0.11 0.06 0.01 -0.18 0.01 -0.01 0.17 0.05 -0.17 35 1 -0.14 0.06 0.04 0.05 0.09 -0.05 -0.15 0.10 0.21 36 1 -0.10 0.07 -0.04 -0.20 -0.06 -0.04 -0.01 -0.08 0.06 37 1 0.17 0.02 -0.01 0.32 -0.06 0.12 0.02 -0.11 -0.00 38 1 -0.10 -0.03 -0.08 -0.02 -0.01 0.06 0.02 -0.02 0.07 39 1 -0.11 -0.07 -0.07 -0.05 0.06 0.03 0.03 0.10 0.03 40 1 0.11 -0.02 0.07 0.06 0.02 -0.07 0.00 0.02 -0.18 41 1 0.13 0.03 0.06 0.09 -0.05 -0.03 0.00 -0.10 -0.14 42 1 -0.06 0.07 -0.06 -0.05 -0.12 0.14 -0.07 0.06 -0.05 43 1 -0.06 0.11 0.08 -0.15 -0.16 0.04 0.03 0.09 -0.00 7 8 9 A A A Frequencies -- 59.5455 75.5715 92.2383 Red. masses -- 9.7987 6.0160 8.6491 Frc consts -- 0.0205 0.0202 0.0434 IR Inten -- 0.4244 0.9706 0.2420 Atom AN X Y Z X Y Z X Y Z 1 16 0.24 -0.01 0.04 0.06 0.04 0.02 0.03 0.00 0.11 2 9 -0.01 0.03 0.05 0.06 -0.02 -0.03 0.04 0.09 -0.11 3 9 0.08 0.01 -0.02 -0.07 0.02 0.05 0.03 -0.13 0.06 4 8 0.06 0.02 0.01 -0.02 -0.00 0.01 -0.03 -0.11 -0.05 5 1 0.06 -0.00 0.06 -0.03 0.03 0.01 -0.04 -0.10 -0.01 6 7 -0.08 -0.04 0.04 -0.12 -0.01 -0.07 0.25 0.05 -0.14 7 7 -0.10 -0.01 -0.02 0.31 -0.05 0.01 -0.19 0.01 -0.08 8 7 0.01 0.01 0.02 -0.00 -0.07 -0.04 -0.05 -0.03 -0.12 9 7 -0.21 -0.02 -0.06 0.00 0.05 -0.02 -0.01 0.06 -0.03 10 7 0.38 0.06 0.07 0.09 -0.09 0.07 0.02 -0.22 0.18 11 6 -0.15 -0.04 -0.00 0.23 -0.01 -0.02 -0.01 0.06 -0.10 12 6 0.02 -0.01 0.05 -0.25 -0.04 -0.09 0.22 -0.01 -0.15 13 6 0.03 0.03 0.02 0.02 -0.05 -0.04 -0.03 -0.11 -0.10 14 6 0.03 0.03 0.02 0.02 -0.01 -0.01 -0.02 -0.11 -0.04 15 6 0.03 0.02 0.02 0.02 -0.01 -0.01 -0.03 -0.08 -0.00 16 6 0.00 0.02 0.04 0.07 -0.01 -0.04 -0.03 -0.03 -0.05 17 6 0.02 0.02 0.03 0.00 -0.01 0.01 0.01 0.03 -0.03 18 6 0.06 0.03 -0.00 -0.12 -0.02 0.10 -0.00 0.04 0.06 19 6 0.08 0.02 -0.02 -0.15 -0.00 0.12 -0.01 -0.01 0.10 20 6 0.06 0.02 -0.01 -0.06 -0.00 0.05 -0.01 -0.07 0.06 21 6 -0.04 0.02 -0.00 0.04 0.02 -0.01 0.02 -0.08 -0.04 22 6 -0.04 -0.00 -0.01 0.04 0.04 -0.00 0.01 -0.01 0.01 23 6 0.12 -0.03 0.01 0.02 0.05 0.00 0.01 0.09 0.09 24 6 -0.13 -0.03 -0.04 -0.01 0.06 -0.02 -0.01 0.11 0.02 25 6 -0.22 -0.04 -0.07 -0.05 0.05 -0.02 -0.03 0.13 0.01 26 6 -0.21 -0.03 -0.06 -0.05 0.03 -0.04 -0.04 0.10 -0.01 27 6 -0.13 -0.02 -0.04 -0.04 0.00 -0.03 -0.04 0.06 0.00 28 6 -0.07 -0.01 -0.03 -0.04 -0.00 0.00 -0.04 0.05 0.05 29 6 -0.16 -0.02 -0.06 -0.06 0.02 0.01 -0.05 0.09 0.08 30 6 -0.24 -0.04 -0.08 -0.07 0.04 -0.00 -0.05 0.13 0.05 31 6 0.15 0.02 0.02 0.02 -0.04 0.03 -0.02 -0.05 0.10 32 1 -0.24 -0.07 -0.02 0.43 0.01 0.01 -0.06 0.10 -0.08 33 1 0.09 0.00 0.08 -0.51 -0.05 -0.13 0.36 -0.03 -0.18 34 1 -0.03 0.02 0.06 0.15 -0.01 -0.10 -0.03 -0.03 -0.09 35 1 0.06 0.03 0.00 -0.18 -0.03 0.15 0.00 0.07 0.08 36 1 -0.14 0.02 -0.02 0.05 0.02 -0.03 0.03 -0.08 -0.08 37 1 0.25 -0.04 0.03 0.02 0.06 0.01 0.02 0.12 0.14 38 1 -0.24 -0.04 -0.06 -0.05 0.03 -0.06 -0.04 0.11 -0.03 39 1 -0.09 -0.01 -0.03 -0.03 -0.01 -0.04 -0.04 0.03 -0.02 40 1 -0.13 -0.02 -0.06 -0.06 0.02 0.03 -0.05 0.08 0.11 41 1 -0.27 -0.05 -0.09 -0.07 0.06 0.01 -0.05 0.16 0.08 42 1 0.03 0.04 -0.00 0.04 -0.05 -0.07 -0.01 -0.13 -0.03 43 1 0.04 0.04 0.02 0.02 -0.05 -0.02 -0.01 -0.16 -0.16 10 11 12 A A A Frequencies -- 101.6638 133.3266 137.9049 Red. masses -- 6.5156 8.8212 9.5137 Frc consts -- 0.0397 0.0924 0.1066 IR Inten -- 1.6459 2.0307 1.0863 Atom AN X Y Z X Y Z X Y Z 1 16 -0.01 -0.02 0.03 0.03 -0.07 0.04 -0.03 -0.03 -0.02 2 9 -0.04 -0.04 0.05 -0.09 0.01 0.12 -0.16 0.03 0.04 3 9 -0.10 0.06 0.08 -0.14 0.01 0.22 -0.17 -0.01 0.15 4 8 -0.02 0.04 0.02 0.15 -0.02 -0.03 -0.05 -0.03 -0.03 5 1 -0.02 0.02 0.11 0.17 -0.10 0.01 -0.05 -0.01 -0.07 6 7 0.14 -0.02 -0.09 -0.06 -0.04 0.01 -0.09 0.03 0.11 7 7 0.02 0.01 -0.14 0.08 0.01 -0.08 0.01 0.01 0.14 8 7 -0.13 0.03 -0.13 0.01 0.05 -0.03 0.11 -0.01 0.13 9 7 0.14 -0.04 0.10 -0.25 -0.04 -0.11 0.31 -0.00 0.03 10 7 0.09 0.12 0.02 -0.17 -0.24 0.02 0.19 -0.24 0.08 11 6 0.17 -0.02 -0.12 0.04 -0.05 -0.05 -0.10 0.03 0.12 12 6 -0.04 0.01 -0.10 -0.07 0.02 0.02 0.04 0.00 0.11 13 6 -0.06 0.06 -0.12 0.02 0.11 -0.04 -0.00 -0.03 0.10 14 6 -0.02 0.03 0.03 0.05 -0.01 -0.00 -0.03 -0.03 -0.02 15 6 -0.07 0.05 0.06 0.01 -0.00 0.03 0.01 -0.02 -0.07 16 6 -0.09 0.03 0.09 -0.01 -0.00 0.05 -0.00 -0.01 -0.07 17 6 -0.00 -0.01 0.00 0.03 -0.00 0.03 -0.03 0.01 -0.04 18 6 0.15 -0.01 -0.16 0.17 -0.00 -0.09 0.07 0.01 -0.11 19 6 0.12 0.00 -0.15 0.15 0.00 -0.07 0.05 -0.01 -0.08 20 6 -0.02 0.04 -0.00 0.01 -0.00 0.05 -0.03 -0.02 -0.02 21 6 0.11 -0.00 0.08 -0.06 -0.06 -0.02 0.06 -0.04 -0.01 22 6 0.12 -0.02 0.08 -0.13 -0.08 -0.06 0.18 -0.04 0.01 23 6 -0.06 -0.04 0.02 -0.03 -0.02 0.02 0.01 0.01 -0.01 24 6 0.03 -0.05 0.06 -0.15 -0.00 -0.06 0.17 0.02 0.00 25 6 -0.03 -0.05 0.05 -0.05 0.06 -0.05 0.08 0.06 -0.05 26 6 -0.05 -0.04 0.05 0.03 0.08 -0.03 -0.01 0.07 -0.07 27 6 -0.07 -0.03 0.04 0.13 0.10 -0.01 -0.12 0.08 -0.11 28 6 -0.07 -0.02 0.03 0.15 0.11 -0.02 -0.13 0.09 -0.14 29 6 -0.08 -0.04 0.01 0.14 0.10 -0.03 -0.11 0.08 -0.14 30 6 -0.06 -0.05 0.02 0.04 0.07 -0.05 -0.00 0.06 -0.11 31 6 -0.00 0.03 0.03 0.03 0.00 -0.01 -0.02 -0.00 -0.07 32 1 0.31 -0.05 -0.12 0.08 -0.09 -0.07 -0.19 0.04 0.13 33 1 -0.12 0.03 -0.08 -0.13 0.05 0.06 0.08 -0.01 0.10 34 1 -0.16 0.02 0.18 -0.08 -0.01 0.10 -0.04 -0.01 -0.07 35 1 0.27 -0.01 -0.30 0.25 0.01 -0.16 0.14 0.03 -0.17 36 1 0.15 -0.01 0.11 -0.14 -0.06 0.00 0.10 -0.04 0.01 37 1 -0.16 -0.05 -0.02 0.06 -0.00 0.07 -0.12 0.03 -0.02 38 1 -0.04 -0.04 0.07 -0.01 0.07 -0.02 0.03 0.07 -0.04 39 1 -0.07 -0.02 0.05 0.16 0.12 0.00 -0.15 0.10 -0.10 40 1 -0.09 -0.04 -0.00 0.18 0.11 -0.03 -0.14 0.08 -0.17 41 1 -0.05 -0.06 0.02 0.02 0.06 -0.07 0.04 0.05 -0.11 42 1 -0.08 0.08 -0.17 -0.06 0.15 -0.10 -0.02 -0.03 0.14 43 1 0.01 0.11 -0.14 0.10 0.20 -0.01 -0.06 -0.03 0.15 13 14 15 A A A Frequencies -- 163.4132 166.7590 184.3240 Red. masses -- 9.6055 7.9386 8.1172 Frc consts -- 0.1511 0.1301 0.1625 IR Inten -- 6.5298 2.5336 2.1444 Atom AN X Y Z X Y Z X Y Z 1 16 0.02 0.13 -0.03 -0.05 -0.10 0.09 0.05 -0.07 0.07 2 9 -0.18 0.06 0.06 -0.11 0.12 -0.10 -0.06 -0.09 0.12 3 9 -0.17 -0.11 0.26 0.03 -0.03 -0.11 -0.10 0.27 -0.05 4 8 0.04 -0.06 -0.00 0.23 -0.03 -0.15 -0.15 0.02 -0.12 5 1 0.04 -0.06 -0.08 0.25 -0.15 -0.18 -0.17 0.14 -0.00 6 7 -0.03 0.02 -0.04 -0.12 -0.05 0.05 0.00 0.04 -0.09 7 7 0.02 -0.02 0.04 0.13 0.04 -0.11 -0.02 -0.05 0.07 8 7 0.10 -0.05 0.01 0.12 0.11 -0.01 0.10 -0.12 0.00 9 7 -0.04 0.13 -0.04 0.05 -0.06 0.02 -0.01 -0.05 -0.00 10 7 -0.02 0.32 -0.11 0.01 0.09 0.11 -0.10 0.01 0.04 11 6 -0.06 0.03 0.01 -0.02 -0.06 -0.06 -0.07 0.05 0.02 12 6 0.07 -0.03 -0.04 -0.02 0.06 0.08 0.11 -0.07 -0.10 13 6 0.05 -0.07 0.00 0.06 0.17 -0.03 0.06 -0.16 0.01 14 6 0.03 -0.05 -0.04 0.06 -0.01 -0.08 0.02 -0.01 -0.04 15 6 0.06 -0.09 -0.09 0.04 -0.04 -0.13 0.14 0.12 -0.10 16 6 0.07 -0.06 -0.12 0.02 0.00 -0.16 0.19 0.09 -0.11 17 6 0.01 -0.01 -0.04 -0.05 0.05 -0.09 0.03 0.02 -0.04 18 6 0.10 -0.01 -0.05 -0.07 0.05 -0.02 -0.07 0.01 -0.06 19 6 0.08 -0.03 -0.00 -0.04 0.00 -0.03 -0.05 0.03 -0.09 20 6 -0.00 -0.09 0.02 0.02 -0.03 -0.10 0.03 0.14 -0.08 21 6 0.01 0.03 -0.07 -0.03 -0.11 -0.04 0.08 -0.06 0.01 22 6 -0.01 0.12 -0.03 0.02 -0.10 0.01 0.06 -0.06 0.02 23 6 0.01 0.12 -0.05 -0.03 -0.02 0.10 -0.08 -0.04 0.03 24 6 -0.02 0.12 -0.04 0.03 -0.01 0.06 -0.09 -0.03 0.00 25 6 -0.01 0.03 -0.01 0.02 0.01 0.08 -0.10 -0.01 0.01 26 6 0.02 -0.06 -0.06 -0.01 0.01 0.09 -0.05 0.01 0.04 27 6 0.03 -0.18 -0.01 -0.06 -0.00 0.09 0.04 0.03 0.07 28 6 0.01 -0.19 0.09 -0.08 -0.01 0.11 0.08 0.03 0.08 29 6 -0.02 -0.11 0.15 -0.06 -0.01 0.11 0.04 0.01 0.06 30 6 -0.03 0.01 0.11 -0.02 0.00 0.11 -0.05 -0.01 0.03 31 6 -0.00 -0.09 0.05 -0.05 0.02 0.11 0.03 0.03 0.07 32 1 -0.13 0.06 0.03 -0.05 -0.15 -0.11 -0.17 0.13 0.06 33 1 0.11 -0.05 -0.07 -0.04 0.10 0.15 0.18 -0.12 -0.17 34 1 0.04 -0.06 -0.14 0.02 0.00 -0.19 0.28 0.10 -0.12 35 1 0.14 0.02 -0.06 -0.11 0.07 0.04 -0.13 -0.02 -0.01 36 1 -0.00 0.04 -0.14 -0.09 -0.11 -0.02 0.11 -0.06 0.03 37 1 0.02 0.12 -0.05 -0.06 -0.00 0.12 -0.13 -0.03 0.03 38 1 0.04 -0.05 -0.15 -0.00 0.01 0.10 -0.08 0.00 0.05 39 1 0.05 -0.26 -0.07 -0.07 -0.02 0.07 0.08 0.03 0.08 40 1 -0.03 -0.13 0.25 -0.07 -0.01 0.10 0.07 0.02 0.05 41 1 -0.05 0.08 0.16 -0.01 0.02 0.12 -0.08 -0.00 0.03 42 1 0.05 -0.08 0.03 -0.06 0.21 -0.08 0.13 -0.18 0.05 43 1 0.02 -0.09 0.02 0.12 0.28 0.02 -0.02 -0.23 0.01 16 17 18 A A A Frequencies -- 193.1852 224.7765 249.1567 Red. masses -- 7.7204 7.3477 6.9835 Frc consts -- 0.1698 0.2187 0.2554 IR Inten -- 0.7539 3.8785 0.9643 Atom AN X Y Z X Y Z X Y Z 1 16 -0.16 -0.02 -0.03 -0.02 -0.09 0.13 -0.01 -0.06 0.12 2 9 0.02 -0.09 0.14 0.12 -0.06 -0.01 -0.07 -0.01 0.09 3 9 -0.01 0.11 0.06 0.00 0.11 -0.05 0.07 -0.02 0.01 4 8 -0.00 0.01 -0.05 -0.00 -0.05 -0.13 -0.09 0.01 0.12 5 1 -0.01 0.04 -0.09 -0.00 -0.07 0.06 -0.10 0.07 0.02 6 7 0.02 -0.00 -0.06 -0.04 -0.00 0.04 0.07 -0.02 0.07 7 7 -0.01 -0.02 -0.04 0.03 0.00 0.04 -0.12 0.06 -0.07 8 7 -0.02 -0.02 -0.05 0.04 0.00 0.04 -0.23 0.11 -0.02 9 7 -0.15 -0.01 -0.06 0.03 0.03 -0.10 0.06 0.00 0.01 10 7 0.16 0.02 0.06 0.05 0.11 -0.13 0.02 0.00 -0.12 11 6 0.01 -0.00 -0.05 -0.01 -0.00 0.04 0.07 -0.03 -0.02 12 6 0.01 -0.02 -0.07 0.00 -0.00 0.04 -0.12 0.07 0.07 13 6 0.03 -0.02 -0.03 -0.02 0.00 0.02 -0.09 0.07 0.01 14 6 0.03 -0.00 -0.01 -0.01 -0.05 -0.03 -0.05 0.02 0.04 15 6 0.09 0.05 -0.00 -0.09 0.06 0.11 0.13 -0.01 -0.10 16 6 0.13 0.03 0.00 -0.17 0.06 0.19 0.27 -0.02 -0.20 17 6 0.07 -0.02 0.04 -0.04 0.01 0.07 0.08 -0.01 -0.05 18 6 0.03 -0.02 0.03 0.01 0.02 -0.02 -0.03 -0.02 0.07 19 6 0.04 0.02 -0.00 -0.01 0.03 -0.02 0.03 -0.02 0.02 20 6 0.05 0.06 0.02 -0.04 0.07 0.04 0.10 -0.01 -0.04 21 6 -0.13 -0.02 -0.05 0.03 -0.12 -0.03 -0.07 -0.00 0.03 22 6 -0.24 -0.02 -0.08 0.02 -0.10 -0.04 0.04 -0.05 0.03 23 6 0.27 0.00 0.09 -0.05 0.09 0.10 -0.07 0.03 0.07 24 6 0.16 0.01 0.05 0.01 0.13 -0.04 -0.01 0.05 0.00 25 6 0.19 0.01 0.06 0.03 0.15 -0.08 -0.01 0.06 -0.04 26 6 0.09 0.01 0.04 0.06 0.04 -0.18 0.01 0.00 -0.10 27 6 -0.12 -0.00 -0.01 0.03 -0.13 -0.14 0.03 -0.06 -0.09 28 6 -0.20 -0.01 -0.03 -0.01 -0.15 -0.03 0.04 -0.07 -0.06 29 6 -0.11 -0.01 -0.02 -0.02 -0.03 0.07 0.01 -0.01 -0.01 30 6 0.10 0.01 0.04 0.01 0.13 0.01 -0.01 0.06 -0.04 31 6 -0.11 -0.00 -0.01 0.00 -0.15 -0.04 0.04 -0.08 -0.07 32 1 0.01 0.01 -0.04 -0.03 -0.00 0.04 0.20 -0.09 -0.04 33 1 0.01 -0.02 -0.08 -0.00 0.00 0.04 -0.18 0.11 0.14 34 1 0.17 0.03 -0.00 -0.21 0.06 0.23 0.37 -0.02 -0.24 35 1 -0.03 -0.04 0.08 0.08 0.01 -0.10 -0.14 -0.02 0.19 36 1 -0.14 -0.02 -0.03 0.05 -0.12 -0.01 -0.14 -0.01 0.06 37 1 0.50 0.01 0.17 -0.10 0.15 0.17 -0.14 0.06 0.10 38 1 0.12 0.01 0.06 0.12 0.06 -0.29 0.03 0.01 -0.17 39 1 -0.19 -0.01 -0.03 0.04 -0.21 -0.21 0.04 -0.09 -0.10 40 1 -0.16 -0.01 -0.04 -0.05 -0.05 0.20 0.00 -0.02 0.06 41 1 0.15 0.01 0.05 0.00 0.22 0.08 -0.02 0.07 -0.03 42 1 0.03 -0.02 -0.04 -0.07 0.01 0.03 -0.12 0.08 0.02 43 1 0.05 -0.03 -0.05 -0.02 0.03 0.05 0.01 0.08 -0.08 19 20 21 A A A Frequencies -- 279.1078 287.5207 296.2177 Red. masses -- 8.6698 6.7266 6.6608 Frc consts -- 0.3979 0.3276 0.3443 IR Inten -- 2.1138 1.6742 1.3158 Atom AN X Y Z X Y Z X Y Z 1 16 0.01 0.01 0.13 -0.16 -0.00 0.06 -0.01 0.04 -0.06 2 9 -0.09 0.16 -0.10 -0.03 0.06 -0.05 0.01 0.01 0.03 3 9 -0.09 0.11 -0.10 -0.03 0.02 -0.04 -0.02 0.12 -0.04 4 8 0.23 0.00 0.28 0.01 0.02 0.15 0.31 -0.11 -0.14 5 1 0.25 -0.13 0.24 0.01 0.05 0.01 0.35 -0.37 -0.20 6 7 0.03 0.04 -0.10 -0.02 0.00 -0.04 0.08 0.03 0.00 7 7 -0.03 -0.08 0.09 0.05 -0.01 -0.02 -0.15 -0.06 0.14 8 7 -0.01 -0.15 0.00 0.09 -0.01 -0.02 -0.24 -0.12 0.05 9 7 -0.13 0.01 0.04 0.03 0.01 0.04 0.12 0.03 0.03 10 7 0.13 -0.05 -0.08 -0.11 -0.04 -0.11 -0.06 0.00 0.01 11 6 -0.01 0.04 0.03 -0.02 0.00 -0.03 0.05 0.03 0.10 12 6 0.02 -0.10 -0.11 0.06 -0.01 -0.03 -0.14 -0.08 -0.02 13 6 0.07 -0.04 0.01 0.05 -0.00 -0.01 -0.06 0.00 0.04 14 6 0.08 0.04 0.10 0.04 0.02 0.04 0.00 -0.07 -0.01 15 6 0.01 -0.02 -0.01 -0.00 -0.01 0.00 0.02 -0.00 0.02 16 6 -0.01 -0.00 -0.03 -0.03 -0.01 0.00 0.02 0.02 0.01 17 6 -0.02 0.02 -0.05 -0.02 0.00 -0.01 0.03 0.02 0.01 18 6 -0.02 0.01 -0.06 -0.01 0.00 -0.03 0.02 0.02 0.00 19 6 -0.05 -0.01 -0.04 -0.02 -0.01 -0.02 0.01 0.00 0.01 20 6 -0.04 -0.00 -0.04 -0.02 -0.01 -0.02 0.02 0.02 0.01 21 6 0.02 0.06 0.08 0.07 0.02 0.06 -0.13 -0.05 -0.07 22 6 -0.04 0.02 0.06 -0.04 0.01 0.03 0.02 0.02 0.00 23 6 -0.15 -0.00 0.06 0.30 0.02 0.17 0.05 0.02 -0.03 24 6 -0.10 -0.01 0.03 0.13 0.02 0.07 0.08 0.01 0.01 25 6 0.07 -0.02 0.04 -0.09 -0.01 -0.02 -0.03 -0.00 -0.01 26 6 0.13 -0.04 0.02 -0.18 -0.04 -0.07 -0.08 -0.00 -0.02 27 6 -0.00 -0.03 -0.03 0.02 -0.03 -0.03 -0.00 0.01 0.01 28 6 -0.11 -0.04 -0.13 0.21 -0.01 -0.01 0.08 0.02 0.04 29 6 0.02 -0.01 -0.08 -0.00 -0.01 -0.04 -0.01 0.00 0.01 30 6 0.14 -0.01 -0.02 -0.17 -0.02 -0.08 -0.08 -0.01 -0.01 31 6 -0.09 -0.04 -0.15 0.21 -0.02 -0.02 0.08 0.02 0.04 32 1 -0.02 0.14 0.08 -0.07 0.01 -0.03 0.18 0.11 0.16 33 1 0.04 -0.15 -0.21 0.08 -0.01 -0.04 -0.18 -0.12 -0.11 34 1 -0.04 -0.01 0.01 -0.04 -0.01 0.01 0.01 0.02 0.00 35 1 -0.02 -0.00 -0.08 0.02 -0.00 -0.06 -0.00 0.02 0.02 36 1 -0.06 0.06 0.08 0.16 0.01 0.11 -0.21 -0.04 -0.17 37 1 -0.20 0.01 0.06 0.48 0.03 0.24 0.03 0.00 -0.05 38 1 0.22 -0.03 0.03 -0.31 -0.05 -0.12 -0.13 -0.01 -0.02 39 1 -0.02 0.01 -0.01 0.00 -0.02 -0.02 -0.01 0.00 0.00 40 1 0.02 -0.01 -0.06 -0.02 -0.01 -0.02 -0.02 0.00 -0.00 41 1 0.22 -0.05 -0.04 -0.26 -0.04 -0.11 -0.12 -0.00 -0.02 42 1 0.12 -0.03 -0.13 0.06 -0.00 -0.02 -0.09 0.04 -0.12 43 1 0.07 -0.00 0.05 0.05 0.00 -0.00 0.00 0.09 0.07 22 23 24 A A A Frequencies -- 316.2857 339.5477 355.1222 Red. masses -- 10.1883 6.8643 5.3181 Frc consts -- 0.6005 0.4663 0.3951 IR Inten -- 2.1208 5.1942 4.5606 Atom AN X Y Z X Y Z X Y Z 1 16 0.01 -0.20 -0.17 0.00 0.06 -0.06 -0.03 0.00 0.01 2 9 -0.03 0.07 -0.05 -0.06 0.13 -0.06 -0.03 -0.03 -0.01 3 9 -0.03 0.00 -0.03 -0.05 0.24 -0.09 0.02 -0.16 0.02 4 8 0.02 0.07 0.34 -0.09 -0.22 0.01 0.04 0.12 -0.21 5 1 0.01 0.13 0.06 -0.11 -0.13 0.03 0.04 0.14 -0.19 6 7 0.04 0.02 0.01 -0.00 -0.02 0.10 0.04 0.01 0.04 7 7 -0.07 -0.02 0.06 -0.02 0.08 -0.06 -0.09 -0.02 0.09 8 7 -0.09 -0.04 0.02 -0.05 0.13 -0.00 -0.13 -0.04 0.03 9 7 0.02 -0.13 -0.18 -0.10 0.04 -0.03 -0.13 0.00 -0.02 10 7 -0.05 0.12 0.15 0.01 -0.00 0.02 0.03 -0.00 -0.01 11 6 0.02 0.02 0.05 0.03 -0.03 -0.01 0.03 0.01 0.08 12 6 -0.04 -0.02 -0.00 -0.05 0.09 0.11 -0.09 -0.03 0.03 13 6 0.03 0.01 0.01 -0.03 -0.07 0.01 0.04 0.02 0.02 14 6 0.05 0.09 0.05 0.03 -0.22 0.04 0.07 0.08 0.01 15 6 0.00 -0.00 -0.00 0.05 -0.07 0.05 -0.02 0.03 -0.01 16 6 -0.01 -0.02 0.01 0.01 -0.05 0.02 0.02 0.02 -0.05 17 6 -0.01 -0.01 -0.00 0.02 -0.04 0.00 -0.02 0.01 -0.04 18 6 0.00 -0.01 -0.02 0.05 -0.05 0.00 -0.03 0.01 -0.06 19 6 -0.02 0.01 -0.01 0.01 -0.12 0.04 -0.05 0.02 -0.03 20 6 -0.02 -0.01 -0.02 0.05 -0.05 0.05 -0.06 0.01 -0.02 21 6 0.11 0.06 0.02 0.25 -0.11 0.03 0.33 -0.01 0.12 22 6 0.05 -0.15 -0.15 -0.02 0.03 0.00 -0.01 0.01 0.02 23 6 0.11 -0.07 -0.11 0.07 0.02 -0.04 0.09 0.00 0.05 24 6 0.04 -0.03 -0.12 -0.04 0.01 -0.03 -0.06 0.00 0.00 25 6 0.02 0.14 -0.11 -0.00 -0.03 0.00 -0.01 0.00 0.01 26 6 0.01 0.16 -0.10 0.02 -0.01 0.02 0.02 -0.00 0.01 27 6 0.01 0.03 -0.04 0.01 0.01 0.02 0.02 -0.00 0.00 28 6 -0.04 0.00 0.15 -0.03 0.01 -0.00 -0.03 -0.01 -0.02 29 6 -0.04 0.03 0.15 0.01 -0.01 -0.01 0.01 0.00 -0.00 30 6 -0.03 0.14 0.07 0.03 -0.02 0.01 0.03 0.01 0.01 31 6 -0.05 -0.03 0.21 -0.04 0.02 -0.00 -0.04 -0.01 -0.03 32 1 0.06 0.05 0.07 0.08 -0.12 -0.05 0.10 0.04 0.10 33 1 -0.06 -0.04 -0.03 -0.08 0.15 0.21 -0.12 -0.04 -0.00 34 1 -0.01 -0.03 0.02 0.02 -0.05 0.02 0.06 0.02 -0.10 35 1 0.02 -0.04 -0.05 0.08 -0.03 -0.02 0.02 0.01 -0.11 36 1 0.11 0.04 0.19 0.55 -0.10 -0.06 0.64 -0.03 0.23 37 1 0.17 -0.06 -0.07 0.16 0.01 -0.03 0.22 -0.00 0.08 38 1 0.01 0.16 -0.14 0.02 -0.01 0.05 0.03 0.00 0.00 39 1 0.05 -0.10 -0.13 0.01 0.02 0.03 0.03 0.00 0.01 40 1 -0.06 0.02 0.19 0.02 -0.00 -0.03 0.02 0.00 0.01 41 1 -0.07 0.28 0.17 0.05 -0.03 0.01 0.05 0.00 0.01 42 1 0.08 0.00 -0.05 -0.17 -0.05 0.16 0.14 -0.01 -0.02 43 1 0.02 -0.00 0.01 0.10 -0.06 -0.10 0.01 -0.03 -0.01 25 26 27 A A A Frequencies -- 367.5568 399.3788 408.6662 Red. masses -- 7.8148 5.6186 2.9759 Frc consts -- 0.6220 0.5280 0.2928 IR Inten -- 1.7961 7.1359 0.0115 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 2 9 0.04 -0.03 -0.20 -0.11 0.17 -0.09 0.00 -0.00 0.00 3 9 -0.03 0.07 0.21 0.05 0.08 -0.02 0.00 0.00 -0.00 4 8 0.00 0.03 -0.01 -0.09 0.14 -0.18 -0.00 -0.00 0.00 5 1 -0.00 0.03 0.09 -0.11 0.21 0.24 -0.00 -0.00 0.00 6 7 0.01 0.01 0.00 -0.00 0.02 -0.04 -0.00 0.00 -0.00 7 7 -0.03 -0.01 0.02 0.01 -0.05 0.05 0.00 -0.00 0.00 8 7 -0.03 -0.02 0.01 0.02 -0.07 0.01 0.00 -0.00 0.00 9 7 -0.01 0.00 -0.01 0.02 -0.02 0.01 -0.00 -0.00 0.00 10 7 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 11 6 -0.00 0.01 0.02 -0.01 0.02 0.02 -0.00 0.00 0.00 12 6 -0.01 -0.01 -0.00 0.02 -0.05 -0.05 0.00 -0.00 -0.00 13 6 0.00 0.02 0.00 -0.03 0.14 -0.02 -0.01 0.01 -0.00 14 6 0.01 0.01 0.01 -0.01 0.09 -0.00 -0.01 -0.00 -0.00 15 6 0.08 0.04 -0.10 -0.04 -0.01 0.08 -0.00 -0.00 0.00 16 6 -0.11 0.01 0.04 0.07 -0.17 0.05 0.00 -0.00 -0.00 17 6 -0.23 -0.05 0.08 0.08 -0.19 0.02 0.00 -0.00 -0.00 18 6 -0.26 -0.06 0.23 0.11 -0.20 0.09 0.00 -0.00 0.00 19 6 0.27 -0.10 -0.22 0.03 -0.12 0.05 0.00 -0.00 0.00 20 6 0.28 0.01 -0.16 -0.00 -0.02 0.12 0.00 -0.00 0.00 21 6 0.05 0.00 0.01 -0.05 0.04 0.01 -0.00 -0.00 -0.00 22 6 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 23 6 0.01 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 24 6 -0.00 0.00 -0.00 0.02 -0.02 0.01 -0.01 -0.00 -0.00 25 6 -0.00 -0.01 0.00 0.01 0.02 -0.00 0.01 0.00 0.00 26 6 0.00 -0.00 0.00 0.00 0.02 -0.02 -0.20 -0.02 -0.05 27 6 0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.21 0.02 0.05 28 6 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 29 6 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.20 -0.02 -0.05 30 6 0.00 -0.01 0.00 -0.01 0.02 -0.00 0.21 0.02 0.05 31 6 -0.00 0.00 -0.00 0.02 -0.01 0.01 -0.01 -0.00 -0.00 32 1 0.00 0.02 0.02 -0.04 0.07 0.05 -0.01 0.01 0.00 33 1 -0.02 -0.02 -0.02 0.03 -0.09 -0.11 0.01 -0.01 -0.01 34 1 -0.08 0.01 0.12 0.21 -0.17 0.13 0.00 -0.00 -0.00 35 1 -0.41 0.04 0.47 0.06 -0.26 0.09 0.00 0.00 0.00 36 1 0.07 -0.00 0.03 -0.10 0.04 0.05 -0.01 -0.00 -0.00 37 1 0.02 0.00 0.01 -0.03 -0.02 -0.01 0.04 -0.00 0.01 38 1 -0.00 -0.00 0.01 0.01 0.02 -0.03 -0.46 -0.05 -0.12 39 1 0.00 0.00 0.01 -0.02 -0.01 -0.03 0.42 0.04 0.11 40 1 0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.44 -0.04 -0.11 41 1 0.01 -0.01 -0.00 -0.03 0.03 0.00 0.42 0.04 0.11 42 1 -0.03 0.04 -0.05 -0.16 0.22 -0.27 -0.03 0.02 -0.03 43 1 0.03 0.07 0.02 0.06 0.37 0.14 0.01 0.04 0.01 28 29 30 A A A Frequencies -- 415.9491 445.8364 449.2145 Red. masses -- 2.1937 6.1342 8.3738 Frc consts -- 0.2236 0.7184 0.9956 IR Inten -- 1.2637 16.3205 61.5203 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.01 -0.01 -0.01 0.06 -0.08 0.02 -0.02 0.02 2 9 0.02 -0.05 0.04 -0.06 -0.07 -0.05 -0.18 -0.20 -0.14 3 9 0.03 -0.00 -0.01 0.07 0.05 0.04 0.24 0.10 0.15 4 8 -0.04 -0.07 0.06 0.06 -0.02 -0.03 0.06 0.00 0.06 5 1 -0.04 -0.06 -0.09 0.08 -0.13 -0.21 0.07 -0.09 0.42 6 7 -0.01 0.02 -0.03 -0.02 -0.01 -0.02 -0.00 0.00 0.01 7 7 0.02 -0.04 0.05 0.05 0.01 -0.04 0.00 0.00 0.01 8 7 0.04 -0.06 0.02 0.04 0.02 -0.01 0.00 0.00 0.00 9 7 -0.02 0.01 -0.00 0.01 -0.11 0.18 -0.03 0.03 -0.08 10 7 0.01 0.00 0.00 0.08 0.03 -0.04 -0.06 -0.01 0.02 11 6 -0.02 0.03 0.02 -0.01 -0.01 -0.04 0.00 -0.00 0.01 12 6 0.04 -0.04 -0.04 0.04 0.01 -0.02 0.00 0.00 0.01 13 6 -0.10 0.16 -0.04 -0.02 -0.06 0.02 -0.02 -0.02 -0.01 14 6 -0.05 -0.06 -0.00 -0.05 -0.00 0.06 -0.01 0.01 -0.00 15 6 -0.02 -0.02 0.00 -0.05 0.03 0.05 -0.05 0.10 -0.01 16 6 0.02 0.03 -0.05 0.01 0.06 -0.06 -0.06 0.15 -0.10 17 6 -0.01 0.05 -0.02 -0.05 -0.00 -0.08 -0.11 -0.04 -0.24 18 6 -0.01 0.05 0.00 -0.02 0.00 -0.02 0.04 -0.01 -0.11 19 6 0.02 0.00 0.01 0.02 -0.08 0.02 -0.07 -0.16 0.17 20 6 0.02 -0.02 0.00 0.02 0.03 0.09 0.05 0.12 0.24 21 6 0.06 -0.03 0.02 -0.08 -0.00 0.09 0.04 0.01 -0.02 22 6 0.01 0.00 0.01 0.03 0.01 0.14 -0.04 0.00 -0.06 23 6 0.03 0.00 -0.01 0.10 -0.15 0.02 -0.07 0.05 -0.02 24 6 -0.02 0.00 -0.01 -0.07 -0.15 0.09 0.05 0.04 -0.03 25 6 -0.02 -0.00 -0.01 -0.17 0.12 -0.04 0.14 -0.03 0.02 26 6 0.01 0.00 0.00 0.01 0.10 -0.07 0.00 -0.03 0.01 27 6 0.00 0.00 0.00 0.11 0.01 -0.03 -0.08 -0.01 -0.01 28 6 -0.01 -0.00 -0.00 -0.05 -0.03 -0.03 0.04 0.01 0.02 29 6 0.02 0.00 0.01 0.08 0.09 0.07 -0.07 -0.04 -0.04 30 6 -0.00 -0.00 -0.00 -0.02 0.16 0.00 0.01 -0.05 -0.00 31 6 -0.02 -0.00 -0.01 -0.15 -0.15 -0.04 0.13 0.06 0.04 32 1 -0.06 0.07 0.04 -0.03 -0.03 -0.05 0.00 -0.00 0.01 33 1 0.05 -0.07 -0.09 0.07 0.02 -0.01 -0.00 0.01 0.02 34 1 0.01 0.03 -0.10 0.06 0.06 -0.07 0.00 0.14 0.06 35 1 0.00 0.09 0.02 0.02 0.10 0.00 0.20 0.23 -0.11 36 1 0.16 -0.03 0.01 -0.13 0.00 0.05 0.09 0.00 0.02 37 1 0.05 0.00 0.00 0.19 -0.26 -0.09 -0.11 0.08 0.01 38 1 0.04 0.00 0.01 0.13 0.13 -0.15 -0.08 -0.04 0.03 39 1 0.01 0.00 0.00 0.24 -0.01 -0.03 -0.18 -0.01 -0.03 40 1 0.05 0.01 0.01 0.19 0.08 0.21 -0.17 -0.04 -0.10 41 1 -0.00 -0.00 -0.00 0.06 0.21 0.05 -0.06 -0.07 -0.03 42 1 -0.45 0.31 -0.36 0.10 -0.11 0.14 0.04 -0.05 0.04 43 1 0.12 0.57 0.19 -0.11 -0.19 -0.04 -0.08 -0.08 -0.02 31 32 33 A A A Frequencies -- 460.5020 482.9434 509.8068 Red. masses -- 6.1096 5.5599 1.2304 Frc consts -- 0.7634 0.7640 0.1884 IR Inten -- 0.3513 7.4652 13.3425 Atom AN X Y Z X Y Z X Y Z 1 16 0.06 0.04 -0.05 0.00 0.02 -0.00 -0.01 0.02 -0.00 2 9 0.02 0.02 0.03 0.03 -0.01 -0.00 0.01 0.01 0.02 3 9 -0.04 -0.03 -0.04 -0.03 0.02 0.04 -0.01 -0.03 0.00 4 8 -0.00 -0.03 -0.04 -0.07 0.04 -0.04 0.02 -0.02 -0.02 5 1 0.00 -0.04 -0.10 -0.09 0.15 0.12 0.01 -0.10 0.96 6 7 -0.01 -0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.01 7 7 0.02 -0.00 -0.02 -0.04 -0.01 0.01 0.00 0.00 0.00 8 7 0.02 0.00 -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 9 7 -0.11 -0.08 0.10 -0.02 -0.05 0.06 -0.00 -0.01 0.00 10 7 -0.09 0.00 -0.08 -0.00 0.00 -0.03 -0.00 0.01 0.02 11 6 -0.01 -0.00 -0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 12 6 0.02 0.00 -0.01 -0.03 -0.01 -0.01 0.00 0.00 0.01 13 6 -0.01 -0.00 0.01 0.06 0.06 0.01 -0.02 -0.01 -0.01 14 6 -0.01 -0.03 0.06 0.05 -0.00 0.00 -0.00 -0.02 -0.00 15 6 -0.03 -0.02 0.06 0.25 -0.06 -0.22 -0.01 0.02 -0.01 16 6 0.05 0.01 -0.03 -0.16 -0.00 0.10 0.01 0.01 -0.00 17 6 0.01 0.04 0.01 -0.04 0.03 0.03 0.06 0.01 -0.03 18 6 -0.06 0.03 0.01 0.10 0.02 -0.11 -0.03 0.01 0.00 19 6 0.05 0.00 -0.08 -0.22 -0.04 0.24 -0.01 0.01 -0.02 20 6 -0.03 -0.03 -0.03 0.21 -0.08 -0.15 -0.01 0.02 -0.02 21 6 0.04 -0.03 0.10 -0.03 0.02 0.00 0.02 -0.00 -0.01 22 6 -0.12 0.00 0.06 -0.01 0.02 0.02 0.00 0.02 -0.00 23 6 -0.13 -0.11 -0.05 -0.01 -0.06 0.01 0.01 -0.03 0.01 24 6 0.04 -0.10 0.09 -0.01 -0.06 0.04 0.01 -0.03 -0.00 25 6 0.25 0.12 0.07 0.01 0.04 0.02 -0.00 0.00 -0.02 26 6 0.03 0.07 -0.03 0.00 0.03 -0.01 -0.00 0.01 -0.02 27 6 -0.16 -0.01 -0.08 -0.01 0.00 -0.01 0.01 0.01 -0.01 28 6 0.07 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 29 6 -0.18 0.05 -0.01 -0.02 0.03 0.01 0.01 -0.00 -0.00 30 6 0.02 0.12 0.01 -0.00 0.05 0.01 -0.00 0.00 -0.01 31 6 0.28 -0.07 0.07 0.03 -0.05 -0.00 -0.02 -0.01 0.02 32 1 -0.02 -0.00 -0.02 0.02 0.01 0.01 -0.00 -0.00 0.00 33 1 0.04 0.00 -0.01 -0.06 -0.01 -0.02 -0.01 0.00 0.01 34 1 0.06 0.01 -0.11 -0.43 -0.01 0.23 -0.06 0.00 0.15 35 1 -0.11 0.03 0.07 0.28 0.05 -0.29 -0.12 -0.02 0.08 36 1 0.15 -0.03 0.09 -0.08 0.02 -0.02 0.02 0.00 -0.04 37 1 -0.16 -0.18 -0.16 -0.00 -0.10 -0.04 0.03 -0.04 -0.00 38 1 -0.09 0.07 -0.15 0.00 0.03 -0.04 -0.00 0.01 -0.02 39 1 -0.36 -0.05 -0.15 -0.03 -0.00 -0.01 0.02 -0.01 -0.02 40 1 -0.41 0.01 0.01 -0.04 0.02 0.04 0.02 -0.00 -0.01 41 1 -0.13 0.13 -0.01 -0.01 0.05 0.01 -0.00 0.01 -0.01 42 1 -0.04 0.01 -0.00 -0.06 0.12 -0.13 -0.05 0.00 -0.01 43 1 0.03 0.03 0.00 0.18 0.20 0.04 -0.00 0.02 0.00 34 35 36 A A A Frequencies -- 539.9466 544.2382 555.0419 Red. masses -- 6.7430 5.7253 6.1021 Frc consts -- 1.1583 0.9991 1.1076 IR Inten -- 142.9411 58.7811 1.2387 Atom AN X Y Z X Y Z X Y Z 1 16 0.03 -0.05 -0.08 -0.02 0.11 0.10 -0.07 -0.03 -0.02 2 9 -0.04 0.03 -0.04 -0.03 0.03 -0.03 0.03 0.00 0.03 3 9 0.07 -0.04 0.08 0.05 -0.02 0.06 -0.01 0.04 -0.01 4 8 0.05 -0.09 0.06 0.03 -0.06 0.05 0.05 0.02 -0.03 5 1 0.08 -0.24 0.01 0.06 -0.15 -0.52 0.08 -0.14 0.07 6 7 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 7 7 0.02 0.00 -0.00 0.02 0.00 -0.00 0.03 0.00 -0.01 8 7 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 9 7 0.00 0.00 -0.00 -0.01 -0.04 0.03 -0.13 0.01 -0.04 10 7 0.05 -0.08 -0.17 -0.06 0.09 0.15 -0.09 -0.02 -0.01 11 6 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 12 6 0.02 0.00 0.01 0.02 0.00 -0.00 0.03 0.00 -0.00 13 6 -0.12 -0.02 -0.02 -0.09 -0.01 -0.01 -0.12 -0.03 -0.01 14 6 -0.09 -0.02 -0.06 -0.08 -0.01 -0.04 -0.11 0.05 -0.04 15 6 -0.00 0.15 -0.10 0.01 0.11 -0.08 -0.03 -0.03 -0.02 16 6 0.03 -0.06 0.07 0.02 -0.05 0.06 0.00 -0.04 -0.02 17 6 0.05 -0.13 0.02 0.01 -0.10 0.05 0.01 0.01 0.02 18 6 0.05 -0.14 0.03 0.05 -0.11 0.02 0.02 0.00 0.03 19 6 -0.13 0.25 -0.02 -0.10 0.19 -0.01 0.01 -0.02 0.05 20 6 0.01 0.19 -0.11 0.02 0.14 -0.09 0.06 -0.04 -0.02 21 6 0.05 -0.06 -0.02 0.03 -0.04 -0.00 -0.00 0.06 0.01 22 6 -0.01 -0.02 -0.02 -0.02 -0.00 0.01 0.39 0.02 0.11 23 6 0.01 0.05 -0.04 -0.01 -0.10 0.03 0.11 0.01 0.03 24 6 -0.03 0.05 0.06 -0.01 -0.08 -0.04 -0.17 0.01 -0.05 25 6 -0.04 0.06 0.15 0.04 -0.05 -0.13 -0.04 -0.00 -0.02 26 6 -0.03 -0.01 0.15 0.05 0.01 -0.14 0.11 0.01 0.02 27 6 -0.04 -0.04 0.14 0.02 0.05 -0.15 -0.08 -0.03 -0.01 28 6 0.02 -0.03 -0.05 -0.03 0.03 0.04 -0.14 -0.03 -0.03 29 6 -0.03 0.09 0.08 0.02 -0.07 -0.09 -0.08 -0.03 -0.02 30 6 -0.04 0.09 0.10 0.05 -0.08 -0.10 0.10 0.01 0.03 31 6 0.05 -0.02 -0.17 -0.01 -0.02 0.19 0.25 0.09 0.05 32 1 -0.02 -0.00 -0.00 -0.02 -0.00 -0.01 -0.02 -0.01 -0.01 33 1 0.05 0.01 0.01 0.05 0.00 0.00 0.06 0.00 0.00 34 1 0.11 -0.06 0.26 0.13 -0.05 0.11 -0.04 -0.03 -0.01 35 1 0.01 -0.35 -0.11 0.07 -0.27 -0.14 0.06 0.02 0.01 36 1 0.23 -0.07 0.01 0.19 -0.05 0.03 -0.33 0.08 -0.06 37 1 0.06 0.04 -0.04 0.02 -0.12 0.00 0.29 0.02 0.10 38 1 -0.03 0.00 0.08 0.05 0.00 -0.08 0.29 0.03 0.06 39 1 -0.07 0.06 0.21 0.05 -0.04 -0.22 0.03 -0.03 0.01 40 1 -0.07 0.07 0.21 0.05 -0.05 -0.21 0.04 -0.02 0.02 41 1 -0.03 0.05 0.07 0.05 -0.05 -0.08 0.28 0.04 0.08 42 1 -0.13 -0.03 0.02 -0.08 -0.02 0.02 0.00 -0.09 0.10 43 1 -0.15 -0.04 0.00 -0.12 -0.03 0.00 -0.28 -0.16 -0.00 37 38 39 A A A Frequencies -- 564.9651 569.1899 578.5415 Red. masses -- 7.0429 3.7824 3.3322 Frc consts -- 1.3245 0.7220 0.6571 IR Inten -- 0.3185 13.0103 12.3793 Atom AN X Y Z X Y Z X Y Z 1 16 0.01 0.04 0.01 0.01 -0.06 0.00 0.01 0.02 0.01 2 9 -0.01 0.01 0.00 -0.01 -0.01 0.05 -0.05 -0.02 0.00 3 9 -0.00 -0.01 0.01 -0.04 0.05 -0.00 -0.01 -0.01 0.01 4 8 0.00 -0.00 -0.01 0.07 0.05 -0.03 -0.03 -0.01 0.02 5 1 0.01 -0.02 -0.05 0.11 -0.16 -0.26 -0.05 0.10 -0.23 6 7 -0.00 -0.00 -0.01 -0.03 -0.01 -0.02 0.01 0.00 0.01 7 7 0.01 -0.00 -0.01 0.05 -0.00 -0.01 -0.02 -0.00 0.01 8 7 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 9 7 0.02 -0.04 0.03 -0.00 0.03 0.00 0.09 -0.01 0.01 10 7 -0.00 -0.12 0.09 0.03 0.01 0.02 -0.06 -0.01 -0.03 11 6 -0.00 -0.00 -0.01 -0.02 -0.01 -0.02 0.01 0.00 0.01 12 6 0.01 0.00 -0.01 0.05 0.00 -0.01 -0.02 -0.00 0.00 13 6 -0.01 -0.00 0.01 -0.15 -0.03 0.00 0.08 0.01 -0.00 14 6 -0.01 -0.00 0.02 -0.13 0.07 -0.00 0.07 -0.02 0.00 15 6 0.00 0.01 0.01 -0.08 -0.05 0.03 -0.02 0.00 0.05 16 6 -0.00 0.01 0.01 -0.06 -0.03 -0.00 -0.07 0.03 0.04 17 6 0.03 -0.00 -0.02 0.18 0.01 -0.14 0.16 -0.01 -0.16 18 6 -0.01 -0.01 -0.01 0.01 0.02 0.06 -0.02 0.00 0.03 19 6 -0.02 -0.00 0.00 -0.01 -0.03 0.09 -0.00 0.02 -0.01 20 6 0.02 0.00 -0.03 0.15 -0.07 -0.10 0.01 0.01 -0.03 21 6 0.00 -0.01 0.03 0.06 0.07 0.07 -0.01 -0.02 -0.03 22 6 -0.07 -0.02 0.00 -0.06 0.03 -0.01 -0.12 -0.02 -0.04 23 6 -0.01 -0.05 0.01 -0.02 0.03 -0.01 0.01 -0.00 0.01 24 6 0.02 -0.04 0.01 0.03 0.03 -0.00 0.01 -0.01 0.01 25 6 0.01 0.12 -0.07 0.05 -0.01 0.00 -0.14 -0.01 -0.03 26 6 -0.00 0.11 -0.07 -0.02 -0.02 -0.02 0.03 0.00 0.02 27 6 0.00 -0.20 0.08 0.02 0.01 -0.02 -0.01 0.00 0.00 28 6 0.01 -0.16 0.08 0.07 0.02 0.02 -0.17 -0.01 -0.05 29 6 0.02 -0.25 0.04 0.02 0.01 -0.01 -0.02 0.01 -0.00 30 6 0.00 0.09 -0.07 -0.03 -0.02 -0.01 0.05 0.01 0.02 31 6 -0.03 0.52 -0.18 -0.09 -0.03 -0.00 0.18 0.00 0.04 32 1 -0.01 -0.00 -0.01 -0.03 -0.01 -0.02 0.02 0.00 0.01 33 1 0.02 -0.00 -0.01 0.11 0.00 -0.01 -0.05 -0.00 0.00 34 1 -0.04 0.01 0.04 -0.35 -0.03 0.12 -0.27 0.02 0.15 35 1 -0.05 -0.02 0.02 -0.22 0.02 0.33 -0.30 -0.03 0.32 36 1 0.07 -0.02 0.06 0.27 0.06 0.15 0.12 -0.03 0.01 37 1 -0.03 -0.08 -0.04 -0.04 0.06 0.03 -0.08 -0.01 -0.02 38 1 0.03 0.14 -0.27 -0.14 -0.03 -0.03 0.33 0.03 0.10 39 1 0.05 -0.38 -0.05 -0.08 0.01 -0.04 0.27 0.04 0.09 40 1 -0.04 -0.28 0.21 -0.07 0.00 -0.05 0.25 0.03 0.07 41 1 -0.06 0.25 0.05 -0.13 -0.04 -0.04 0.33 0.02 0.09 42 1 -0.01 -0.00 0.01 0.02 -0.11 0.13 0.03 0.04 -0.05 43 1 -0.01 -0.00 0.00 -0.34 -0.20 -0.00 0.15 0.07 -0.00 40 41 42 A A A Frequencies -- 587.7472 600.3463 641.2156 Red. masses -- 3.8069 6.8166 9.3718 Frc consts -- 0.7748 1.4475 2.2703 IR Inten -- 3.8327 35.2155 194.6286 Atom AN X Y Z X Y Z X Y Z 1 16 -0.03 0.06 0.01 0.01 -0.07 -0.08 0.01 -0.19 -0.06 2 9 -0.05 -0.03 -0.01 -0.02 0.10 -0.00 -0.08 -0.15 -0.10 3 9 -0.00 0.00 0.01 0.04 -0.10 0.07 -0.04 0.03 -0.06 4 8 -0.05 -0.02 0.03 -0.03 -0.06 -0.04 -0.03 -0.06 -0.07 5 1 -0.08 0.15 -0.29 -0.04 0.01 -0.19 -0.06 0.04 0.23 6 7 0.02 0.01 0.02 -0.01 -0.01 -0.04 0.03 -0.01 -0.02 7 7 -0.05 0.00 0.02 0.03 -0.01 -0.03 -0.03 -0.00 -0.03 8 7 0.01 -0.00 -0.00 -0.02 0.00 0.01 0.02 0.00 0.01 9 7 -0.08 -0.06 -0.05 -0.04 0.15 0.03 -0.07 0.20 0.19 10 7 0.04 -0.00 -0.01 -0.01 0.02 0.05 -0.02 0.01 0.08 11 6 0.01 0.01 0.02 -0.01 -0.01 -0.04 0.01 -0.01 -0.03 12 6 -0.05 -0.00 0.01 0.03 0.01 -0.03 -0.04 0.01 -0.02 13 6 0.11 0.02 -0.02 0.04 0.02 0.08 0.13 0.01 0.07 14 6 0.09 -0.02 -0.05 0.03 -0.06 0.19 0.06 -0.06 0.09 15 6 -0.02 0.00 0.03 0.06 0.09 0.16 0.03 -0.05 -0.09 16 6 -0.08 0.01 0.04 0.07 0.15 0.12 -0.06 -0.10 -0.06 17 6 0.14 -0.03 -0.15 0.09 -0.00 -0.04 -0.05 -0.05 -0.06 18 6 -0.00 -0.00 0.06 -0.16 -0.06 -0.18 0.14 0.05 0.19 19 6 0.03 0.07 -0.01 -0.18 -0.16 -0.10 0.11 0.37 0.05 20 6 -0.03 0.03 0.01 0.07 0.06 -0.12 -0.09 0.03 0.02 21 6 -0.02 -0.02 -0.08 -0.11 -0.09 0.14 -0.05 0.04 0.12 22 6 0.23 -0.04 0.03 0.08 -0.02 0.16 -0.03 0.19 0.21 23 6 0.00 -0.04 0.02 0.03 0.12 -0.05 0.02 0.05 -0.07 24 6 -0.06 -0.04 -0.00 -0.02 0.10 -0.03 -0.01 0.05 0.04 25 6 0.10 0.02 0.04 0.03 -0.03 -0.02 0.01 -0.01 -0.02 26 6 -0.01 0.01 0.02 0.02 -0.05 -0.05 0.04 -0.06 -0.11 27 6 -0.02 -0.01 0.02 0.01 0.01 -0.07 0.03 -0.01 -0.13 28 6 0.12 0.01 0.03 0.02 0.02 0.01 0.01 0.01 -0.00 29 6 -0.01 0.00 0.01 0.00 -0.01 -0.02 0.00 -0.00 -0.02 30 6 -0.02 0.01 -0.00 0.00 -0.05 -0.00 0.01 -0.02 -0.00 31 6 -0.10 -0.02 -0.04 -0.03 0.03 0.03 -0.02 0.09 0.03 32 1 0.03 0.00 0.02 -0.02 -0.00 -0.04 -0.01 -0.00 -0.03 33 1 -0.11 0.00 0.02 0.07 -0.01 -0.05 -0.10 0.00 -0.04 34 1 -0.24 0.01 0.14 0.04 0.15 0.20 -0.15 -0.10 0.03 35 1 -0.25 -0.04 0.30 -0.28 -0.17 -0.13 0.17 0.07 0.17 36 1 -0.26 -0.02 -0.14 -0.37 -0.08 0.05 -0.03 0.06 -0.06 37 1 0.13 -0.08 0.01 0.02 0.19 0.05 -0.01 0.14 0.04 38 1 -0.24 -0.01 -0.05 -0.03 -0.05 -0.03 0.04 -0.05 -0.12 39 1 -0.25 -0.02 -0.04 -0.03 -0.01 -0.09 0.03 -0.05 -0.17 40 1 -0.22 -0.02 -0.03 -0.03 -0.00 -0.09 -0.00 0.00 -0.06 41 1 -0.23 -0.00 -0.05 -0.03 -0.06 -0.02 -0.01 -0.02 -0.00 42 1 0.03 0.05 -0.09 -0.07 0.07 -0.01 0.00 0.07 -0.02 43 1 0.19 0.10 -0.01 0.21 0.14 0.05 0.30 0.13 0.05 43 44 45 A A A Frequencies -- 656.9338 670.1275 674.2516 Red. masses -- 7.3624 5.9733 4.9901 Frc consts -- 1.8720 1.5804 1.3366 IR Inten -- 2.4949 135.1416 13.1938 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.08 0.00 -0.01 -0.11 0.04 0.00 0.03 -0.02 2 9 0.00 -0.01 -0.00 0.05 0.08 0.06 -0.00 -0.01 -0.01 3 9 -0.01 0.01 -0.01 0.06 -0.01 0.04 -0.02 0.01 0.00 4 8 0.00 0.04 0.01 0.01 -0.07 0.00 0.01 0.02 0.01 5 1 0.00 0.03 0.11 0.03 -0.13 -0.33 0.02 -0.04 0.14 6 7 -0.00 -0.00 -0.00 0.07 -0.00 0.01 0.16 -0.02 -0.03 7 7 0.01 -0.00 0.00 -0.12 0.01 -0.01 -0.19 -0.01 -0.05 8 7 -0.01 -0.00 0.00 0.18 -0.00 0.02 0.32 -0.00 0.05 9 7 0.04 -0.07 -0.03 -0.01 0.01 0.08 0.01 0.00 -0.02 10 7 0.00 -0.05 0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 11 6 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.02 -0.01 -0.04 12 6 0.01 -0.00 -0.00 -0.13 0.01 -0.00 -0.24 0.01 -0.05 13 6 -0.00 0.01 0.00 -0.05 -0.02 -0.03 0.01 0.02 0.07 14 6 -0.01 0.03 0.00 -0.03 -0.03 -0.10 -0.05 0.03 0.00 15 6 -0.02 -0.01 0.00 0.09 0.02 -0.08 -0.13 0.00 0.10 16 6 0.00 -0.01 -0.02 -0.02 0.03 0.06 0.04 -0.01 -0.04 17 6 -0.01 0.00 0.00 0.06 0.01 -0.00 -0.04 -0.00 0.03 18 6 0.02 0.01 0.01 -0.10 -0.05 -0.06 0.04 0.01 -0.00 19 6 0.01 0.00 0.02 -0.01 -0.15 -0.09 -0.03 0.03 0.05 20 6 0.02 -0.02 -0.01 -0.10 0.04 0.11 0.12 -0.02 -0.10 21 6 -0.01 -0.09 0.02 0.04 0.23 -0.11 -0.01 -0.09 0.05 22 6 -0.02 -0.13 -0.02 -0.01 0.26 -0.04 -0.01 -0.09 0.02 23 6 0.01 -0.03 0.01 0.00 -0.09 0.02 -0.00 0.04 -0.01 24 6 -0.04 -0.00 -0.02 -0.02 -0.08 0.02 0.00 0.03 -0.01 25 6 0.01 -0.08 0.03 0.00 -0.01 -0.00 -0.00 0.00 0.00 26 6 0.08 -0.28 -0.17 0.02 -0.04 -0.05 -0.01 0.01 0.01 27 6 0.06 0.04 -0.29 0.01 0.00 -0.08 -0.00 -0.00 0.02 28 6 0.01 0.07 -0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 29 6 -0.08 0.23 0.20 -0.03 0.05 0.05 0.01 -0.02 -0.02 30 6 -0.07 -0.08 0.34 -0.01 0.01 0.08 0.01 -0.00 -0.03 31 6 0.00 0.23 -0.10 -0.00 0.06 -0.03 0.00 -0.02 0.01 32 1 -0.01 0.00 -0.00 0.03 -0.01 -0.00 -0.05 -0.00 -0.04 33 1 0.02 -0.00 -0.00 -0.37 0.02 -0.01 -0.71 0.01 -0.12 34 1 0.00 -0.01 -0.02 -0.10 0.04 0.09 0.15 -0.01 -0.09 35 1 0.04 0.03 0.01 -0.15 -0.10 -0.05 0.07 0.02 -0.03 36 1 -0.03 -0.11 0.14 0.26 0.25 -0.28 -0.05 -0.10 0.13 37 1 0.10 -0.08 -0.05 -0.01 -0.09 0.02 0.03 0.04 0.00 38 1 0.03 -0.29 -0.09 0.01 -0.04 -0.05 -0.00 0.01 0.01 39 1 0.02 0.09 -0.25 -0.01 -0.00 -0.09 0.00 -0.00 0.02 40 1 -0.09 0.24 0.13 -0.05 0.05 0.05 0.01 -0.02 -0.02 41 1 -0.08 -0.13 0.30 -0.03 0.01 0.08 0.01 -0.01 -0.03 42 1 0.05 -0.01 0.02 -0.12 0.00 -0.01 0.04 -0.01 0.14 43 1 -0.04 -0.04 -0.01 -0.07 0.05 0.07 -0.12 -0.02 0.16 46 47 48 A A A Frequencies -- 677.1418 691.0014 699.6244 Red. masses -- 3.2127 5.4122 3.8116 Frc consts -- 0.8679 1.5226 1.0992 IR Inten -- 3.5300 23.0577 19.3620 Atom AN X Y Z X Y Z X Y Z 1 16 -0.01 -0.00 0.01 -0.01 -0.05 0.04 -0.00 -0.00 0.01 2 9 -0.01 -0.01 -0.01 -0.03 -0.02 -0.04 -0.00 -0.00 -0.00 3 9 -0.00 -0.00 0.01 -0.02 -0.00 0.03 -0.00 -0.00 0.00 4 8 -0.01 -0.02 -0.00 -0.02 -0.06 -0.02 -0.00 -0.01 -0.00 5 1 -0.01 0.01 -0.06 -0.04 0.04 0.06 -0.00 0.00 -0.01 6 7 -0.00 0.00 0.02 -0.05 0.01 0.05 0.26 -0.00 0.03 7 7 -0.00 0.01 0.01 0.00 0.01 0.04 0.24 0.01 0.02 8 7 -0.00 -0.00 -0.01 -0.05 -0.00 -0.03 -0.09 0.00 -0.02 9 7 -0.19 -0.02 -0.05 0.07 -0.01 0.04 0.01 -0.00 0.00 10 7 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 11 6 0.00 0.00 0.01 0.03 0.01 0.04 -0.28 0.01 -0.01 12 6 0.00 -0.00 0.01 0.04 -0.01 0.04 -0.12 0.01 0.01 13 6 -0.00 -0.01 -0.03 0.08 -0.02 -0.10 0.00 -0.01 -0.02 14 6 0.01 -0.01 -0.02 0.08 -0.05 -0.02 0.01 -0.00 0.00 15 6 -0.04 0.00 0.05 -0.21 0.01 0.27 -0.00 0.00 0.02 16 6 0.02 0.00 -0.01 0.08 0.02 -0.03 0.01 0.01 0.00 17 6 -0.01 -0.01 0.01 -0.08 -0.01 0.05 -0.00 -0.00 0.00 18 6 0.01 -0.00 -0.01 0.06 0.02 -0.06 0.00 0.00 -0.00 19 6 -0.02 0.02 0.01 -0.08 0.06 0.06 -0.00 0.00 0.00 20 6 0.04 -0.00 -0.05 0.19 -0.03 -0.20 0.00 -0.00 -0.00 21 6 0.04 0.04 -0.01 -0.00 0.15 -0.11 0.00 0.02 -0.01 22 6 0.10 0.03 0.01 -0.03 0.16 -0.06 -0.00 0.02 -0.01 23 6 -0.03 -0.02 -0.01 0.01 -0.07 0.01 0.00 -0.01 0.00 24 6 0.29 -0.01 0.09 -0.10 -0.05 -0.03 -0.01 -0.01 -0.00 25 6 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 26 6 -0.09 -0.02 -0.04 0.04 0.01 0.00 0.00 0.00 0.00 27 6 0.06 0.01 -0.00 -0.02 0.00 -0.01 -0.00 0.00 -0.00 28 6 -0.08 -0.01 -0.02 0.03 0.00 0.01 0.00 0.00 0.00 29 6 0.05 0.02 0.03 -0.03 0.01 0.02 -0.00 0.00 0.00 30 6 -0.07 -0.00 0.01 0.02 0.01 0.04 0.00 0.00 0.00 31 6 0.01 0.02 -0.01 -0.00 0.01 -0.02 0.00 0.00 -0.00 32 1 0.01 -0.00 0.01 0.10 -0.00 0.04 -0.82 0.01 -0.05 33 1 0.01 0.00 0.02 0.13 0.00 0.08 -0.31 0.02 0.01 34 1 0.09 0.00 -0.05 0.48 0.03 -0.26 0.02 0.01 -0.01 35 1 0.01 -0.01 -0.01 -0.01 0.01 0.02 -0.00 0.00 0.00 36 1 -0.20 0.05 -0.11 -0.01 0.17 -0.30 0.00 0.02 -0.04 37 1 -0.71 -0.02 -0.21 0.21 -0.08 0.06 0.01 -0.01 0.00 38 1 0.12 0.00 0.01 -0.03 -0.00 -0.00 -0.00 0.00 0.00 39 1 0.30 0.03 0.06 -0.11 -0.01 -0.04 -0.01 0.00 -0.00 40 1 0.26 0.05 0.09 -0.12 0.00 0.01 -0.01 0.00 0.00 41 1 0.06 0.01 0.04 -0.03 0.02 0.04 -0.00 0.00 0.01 42 1 -0.02 -0.01 -0.04 0.04 0.01 -0.15 0.01 -0.01 -0.05 43 1 0.01 0.00 -0.03 0.17 0.04 -0.12 0.02 -0.01 -0.03 49 50 51 A A A Frequencies -- 738.2051 750.6785 783.6662 Red. masses -- 2.2477 6.3461 2.2650 Frc consts -- 0.7217 2.1070 0.8196 IR Inten -- 13.1027 57.2279 25.6644 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 0.00 -0.02 0.03 0.06 0.00 -0.00 0.00 2 9 -0.00 -0.00 -0.00 -0.06 -0.04 -0.07 0.01 0.01 0.01 3 9 -0.00 -0.00 0.00 -0.05 -0.05 -0.04 0.01 0.01 0.01 4 8 -0.00 -0.00 -0.00 -0.00 -0.08 -0.08 -0.00 0.00 0.00 5 1 -0.00 -0.00 -0.01 0.00 -0.14 -0.03 -0.00 0.01 -0.01 6 7 -0.00 -0.00 -0.00 0.00 -0.03 -0.13 0.00 -0.00 -0.01 7 7 0.00 -0.00 -0.00 0.02 -0.04 -0.09 0.00 -0.00 -0.00 8 7 -0.00 0.00 0.00 -0.04 0.02 0.10 -0.01 0.00 0.01 9 7 0.01 -0.00 0.00 0.03 -0.10 -0.14 -0.05 0.01 -0.01 10 7 -0.02 -0.00 -0.01 0.02 -0.02 -0.06 0.01 -0.00 -0.01 11 6 0.00 -0.00 -0.00 0.00 -0.04 -0.11 -0.00 -0.00 -0.01 12 6 0.00 0.00 -0.00 0.02 0.05 -0.09 0.00 0.00 -0.00 13 6 0.01 0.00 0.01 -0.05 0.02 0.35 0.02 0.01 0.02 14 6 0.00 -0.00 0.00 -0.02 -0.06 0.18 0.00 -0.00 0.00 15 6 -0.00 -0.00 0.01 0.11 0.00 0.06 -0.02 -0.01 -0.01 16 6 0.00 0.00 0.00 0.05 0.08 0.06 -0.01 -0.02 -0.01 17 6 -0.00 0.00 0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 18 6 0.00 0.00 -0.00 0.04 0.02 0.03 -0.01 0.00 -0.01 19 6 -0.00 -0.00 -0.00 0.02 0.08 0.01 -0.01 -0.00 -0.01 20 6 0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.00 21 6 -0.01 0.01 -0.01 0.00 0.23 0.03 -0.01 -0.01 -0.01 22 6 0.02 0.01 0.00 0.05 0.01 -0.13 0.03 0.00 0.01 23 6 -0.11 -0.00 -0.03 0.01 -0.04 0.01 -0.16 -0.01 -0.05 24 6 -0.01 -0.00 -0.00 0.03 -0.03 -0.09 0.17 -0.00 0.04 25 6 0.16 0.02 0.04 0.01 -0.02 -0.05 -0.13 -0.02 -0.05 26 6 -0.07 -0.00 -0.02 -0.01 0.06 0.03 0.04 0.02 0.01 27 6 0.09 0.01 0.02 -0.02 0.05 0.04 -0.06 0.01 -0.02 28 6 -0.18 -0.02 -0.05 -0.00 0.01 0.03 0.11 0.01 0.04 29 6 0.09 0.01 0.03 -0.02 -0.01 0.06 -0.06 -0.01 -0.00 30 6 -0.10 -0.01 -0.02 -0.01 -0.05 0.07 0.02 -0.01 0.02 31 6 0.05 0.01 0.01 0.01 -0.02 -0.05 -0.03 -0.00 -0.02 32 1 -0.00 0.00 -0.00 -0.02 -0.00 -0.10 -0.00 0.00 -0.00 33 1 0.00 -0.00 -0.00 0.06 -0.00 -0.19 0.01 -0.00 -0.01 34 1 0.01 0.00 -0.01 0.09 0.08 0.09 -0.00 -0.02 -0.04 35 1 -0.01 0.00 0.01 0.03 0.05 0.07 -0.02 -0.01 -0.00 36 1 0.06 0.01 0.00 0.17 0.23 0.02 0.09 -0.01 0.01 37 1 0.77 -0.02 0.22 -0.07 -0.05 -0.03 0.80 -0.01 0.24 38 1 -0.28 -0.03 -0.06 -0.03 0.05 0.12 0.26 0.05 0.09 39 1 0.21 0.02 0.05 -0.02 0.05 0.04 -0.01 0.00 -0.02 40 1 0.25 0.02 0.07 -0.01 -0.01 0.03 0.02 -0.01 0.01 41 1 -0.22 -0.02 -0.05 -0.03 0.02 0.12 0.30 0.04 0.11 42 1 0.00 0.00 0.00 -0.22 0.08 0.32 0.02 0.01 0.02 43 1 0.01 0.01 0.00 0.06 0.14 0.37 0.01 0.00 0.02 52 53 54 A A A Frequencies -- 786.1744 790.4878 816.5217 Red. masses -- 5.9652 6.5260 2.7500 Frc consts -- 2.1723 2.4026 1.0802 IR Inten -- 25.0986 6.5967 56.7516 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 -0.01 -0.01 -0.00 0.03 -0.00 0.02 0.00 2 9 -0.08 -0.05 -0.11 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 3 9 -0.15 -0.13 -0.13 -0.03 -0.03 -0.03 0.05 0.04 0.04 4 8 0.02 0.02 0.00 0.01 0.04 0.02 -0.01 -0.07 -0.06 5 1 0.04 -0.07 -0.05 0.01 0.02 -0.02 -0.00 -0.09 -0.07 6 7 -0.00 0.01 0.06 -0.00 0.01 0.04 -0.00 0.01 0.05 7 7 -0.02 0.04 0.03 -0.01 0.02 0.02 -0.01 0.03 0.01 8 7 0.08 -0.01 -0.05 0.04 -0.01 -0.04 0.05 -0.01 -0.04 9 7 0.00 -0.03 0.00 -0.01 0.15 0.04 0.04 -0.07 -0.05 10 7 -0.01 0.02 0.04 0.05 -0.07 -0.17 0.00 -0.00 -0.00 11 6 0.00 0.02 0.04 0.00 0.01 0.03 0.00 0.01 0.03 12 6 -0.01 -0.02 0.04 -0.01 -0.02 0.03 0.00 -0.02 0.03 13 6 -0.15 -0.07 -0.19 -0.02 -0.02 -0.13 -0.00 -0.06 -0.13 14 6 -0.01 0.01 -0.03 -0.01 0.02 -0.01 0.00 -0.01 0.12 15 6 0.22 0.09 0.08 0.04 0.02 -0.00 0.00 -0.05 0.01 16 6 0.12 0.28 0.14 0.03 0.05 0.01 0.05 -0.07 -0.06 17 6 -0.02 -0.03 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.00 18 6 0.09 -0.02 0.10 0.01 -0.01 0.04 -0.08 0.01 0.01 19 6 0.07 -0.03 0.07 0.02 -0.01 0.02 -0.01 0.06 -0.03 20 6 0.00 -0.04 0.03 0.00 -0.00 0.01 -0.03 0.00 -0.01 21 6 0.01 0.03 0.01 -0.01 -0.11 0.04 0.03 0.16 0.14 22 6 -0.01 -0.02 -0.02 -0.04 0.03 0.08 -0.03 -0.07 -0.04 23 6 -0.05 0.03 -0.00 0.03 -0.09 -0.04 -0.01 0.04 0.01 24 6 0.03 0.02 0.05 0.02 -0.05 -0.13 0.00 0.03 -0.01 25 6 -0.05 0.01 0.03 0.06 -0.07 -0.18 -0.01 -0.00 -0.01 26 6 0.02 -0.07 0.00 -0.03 0.29 -0.00 0.00 0.00 0.01 27 6 -0.01 -0.05 -0.01 -0.01 0.22 -0.01 -0.00 0.01 0.00 28 6 0.04 -0.01 -0.02 -0.04 0.04 0.10 0.00 0.00 0.00 29 6 -0.01 0.04 -0.04 -0.01 -0.17 0.14 -0.00 -0.01 0.00 30 6 0.01 0.05 -0.04 -0.03 -0.19 0.18 -0.00 -0.01 0.01 31 6 -0.02 0.01 0.03 0.04 -0.05 -0.12 0.00 -0.00 -0.00 32 1 0.01 -0.02 0.03 0.01 -0.01 0.03 0.01 -0.02 0.02 33 1 -0.11 0.02 0.09 -0.06 0.00 0.06 -0.12 0.01 0.07 34 1 0.15 0.27 0.38 -0.07 0.05 0.14 -0.52 -0.08 0.19 35 1 0.16 0.12 0.14 0.10 0.03 -0.04 0.17 -0.05 -0.31 36 1 -0.21 0.03 0.02 -0.17 -0.11 0.04 -0.49 0.17 0.12 37 1 0.29 0.00 0.07 -0.11 -0.01 0.02 0.10 0.04 0.04 38 1 0.09 -0.05 -0.05 -0.14 0.25 0.26 -0.01 -0.00 0.02 39 1 -0.01 -0.02 0.02 0.01 0.09 -0.13 -0.01 0.01 0.00 40 1 0.01 0.03 0.00 0.01 -0.15 -0.03 0.01 -0.01 -0.01 41 1 0.12 -0.01 -0.07 -0.15 0.07 0.38 0.02 -0.01 0.01 42 1 -0.17 -0.06 -0.17 0.03 -0.04 -0.12 -0.07 -0.03 -0.19 43 1 -0.14 -0.01 -0.14 -0.05 -0.05 -0.14 0.12 0.04 -0.14 55 56 57 A A A Frequencies -- 844.8275 853.0175 854.5066 Red. masses -- 1.6591 1.5666 1.4180 Frc consts -- 0.6977 0.6716 0.6100 IR Inten -- 21.8893 11.6362 26.7031 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 2 9 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.01 -0.00 0.00 3 9 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 4 8 0.01 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 5 1 0.00 -0.02 0.05 0.01 -0.03 -0.04 -0.00 0.00 0.02 6 7 0.00 0.00 0.02 -0.00 0.00 0.01 0.00 -0.00 -0.00 7 7 -0.01 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 8 7 0.02 -0.01 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 9 7 0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 10 7 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 11 6 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 12 6 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 13 6 -0.03 -0.04 -0.05 0.01 -0.01 -0.02 0.00 0.00 0.00 14 6 0.01 -0.00 0.04 -0.01 0.00 0.01 -0.00 -0.00 0.00 15 6 0.04 -0.01 -0.05 -0.00 0.00 0.01 -0.00 0.00 -0.00 16 6 -0.11 -0.04 0.07 0.07 -0.00 -0.06 -0.02 0.00 0.02 17 6 0.01 0.00 -0.01 -0.08 -0.01 0.07 0.03 0.00 -0.03 18 6 0.05 0.03 -0.07 0.10 0.00 -0.09 -0.04 -0.00 0.04 19 6 -0.01 0.01 -0.01 -0.02 -0.01 0.00 0.01 0.00 -0.00 20 6 -0.02 0.01 0.01 -0.02 0.02 0.01 0.01 -0.01 -0.01 21 6 -0.00 0.06 0.06 -0.04 0.01 -0.00 0.00 0.00 -0.00 22 6 -0.00 -0.04 0.01 0.02 -0.01 0.01 -0.00 0.00 -0.00 23 6 -0.01 0.03 0.03 0.00 0.01 0.02 0.01 -0.01 0.01 24 6 -0.01 0.02 0.01 -0.02 0.00 0.00 -0.04 -0.00 -0.01 25 6 0.00 -0.00 -0.00 0.03 0.00 0.01 0.07 0.01 0.02 26 6 -0.00 0.02 -0.00 -0.05 0.00 -0.01 -0.11 -0.01 -0.03 27 6 -0.00 0.02 -0.01 -0.03 0.00 -0.01 -0.08 -0.01 -0.02 28 6 -0.00 0.00 0.01 0.02 0.00 0.01 0.05 0.01 0.01 29 6 0.00 -0.02 0.00 0.01 -0.01 0.00 0.02 0.00 0.01 30 6 -0.00 -0.02 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 31 6 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.01 32 1 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 33 1 -0.05 0.01 0.03 -0.06 0.00 0.01 0.02 -0.00 -0.00 34 1 0.65 -0.02 -0.44 -0.44 -0.01 0.25 0.16 0.01 -0.09 35 1 -0.36 0.01 0.38 -0.46 -0.04 0.51 0.20 0.02 -0.21 36 1 -0.10 0.05 0.12 0.25 -0.00 0.08 -0.03 0.00 -0.01 37 1 -0.00 0.05 0.05 -0.02 0.02 0.03 0.05 0.00 0.03 38 1 0.01 0.02 0.02 0.26 0.03 0.07 0.64 0.07 0.16 39 1 0.02 0.01 -0.02 0.23 0.03 0.05 0.57 0.06 0.15 40 1 0.01 -0.02 -0.02 -0.06 -0.01 -0.02 -0.16 -0.02 -0.04 41 1 -0.00 -0.01 0.02 -0.07 -0.01 -0.01 -0.17 -0.01 -0.04 42 1 -0.08 -0.02 -0.08 0.00 -0.00 -0.04 0.01 0.00 0.00 43 1 0.04 0.03 -0.04 0.03 0.01 -0.02 -0.00 -0.00 -0.00 58 59 60 A A A Frequencies -- 871.1732 873.4857 882.4720 Red. masses -- 1.6334 1.4631 1.5017 Frc consts -- 0.7304 0.6577 0.6890 IR Inten -- 26.0217 33.9972 18.3870 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 2 9 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 3 9 -0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 4 8 -0.00 -0.03 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 5 1 0.01 -0.12 0.02 0.00 -0.07 0.02 -0.00 -0.00 -0.00 6 7 -0.02 0.01 0.02 0.04 0.00 0.02 -0.00 -0.00 -0.00 7 7 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 8 7 -0.01 -0.01 -0.02 0.04 -0.00 -0.01 -0.00 0.00 0.00 9 7 -0.02 -0.03 -0.02 -0.01 -0.02 -0.01 0.01 0.00 0.01 10 7 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 11 6 0.01 0.01 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 12 6 0.07 -0.02 0.02 -0.16 -0.01 -0.01 0.00 0.00 -0.00 13 6 0.07 0.01 -0.04 0.04 0.00 -0.03 0.00 0.00 0.00 14 6 -0.05 0.01 0.05 -0.03 0.00 0.02 -0.00 0.00 -0.00 15 6 -0.02 0.03 -0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.00 16 6 -0.01 0.02 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 17 6 0.02 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 18 6 -0.02 -0.01 0.05 -0.00 -0.01 0.02 0.00 -0.00 0.00 19 6 0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 20 6 0.02 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 21 6 -0.13 0.04 -0.01 -0.05 0.03 0.00 0.00 -0.00 -0.00 22 6 0.05 -0.02 0.01 0.02 -0.01 0.01 -0.00 0.00 -0.00 23 6 -0.00 0.03 0.03 -0.00 0.02 0.02 0.02 -0.00 0.02 24 6 0.00 0.01 0.01 -0.00 0.01 0.01 -0.06 -0.00 -0.02 25 6 -0.00 0.00 0.00 -0.00 0.00 0.00 0.10 0.01 0.03 26 6 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.02 0.00 -0.01 27 6 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.00 -0.00 28 6 -0.00 0.00 0.00 -0.00 0.00 0.00 0.07 0.01 0.02 29 6 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.11 -0.01 -0.03 30 6 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.09 -0.01 -0.02 31 6 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 -0.01 32 1 -0.06 -0.00 0.00 0.15 -0.01 0.01 -0.00 0.00 -0.00 33 1 -0.44 0.01 0.00 0.91 -0.05 0.05 -0.01 0.00 -0.00 34 1 0.10 0.02 -0.03 0.01 0.01 0.02 -0.00 0.00 0.00 35 1 0.20 0.02 -0.18 0.06 0.01 -0.04 0.00 -0.00 -0.00 36 1 0.73 0.01 0.22 0.27 0.01 0.11 -0.02 0.00 -0.01 37 1 -0.10 0.04 0.02 -0.04 0.03 0.03 -0.06 0.00 0.00 38 1 -0.05 0.00 -0.01 -0.02 0.00 0.00 0.05 0.01 0.01 39 1 -0.05 -0.00 -0.03 -0.02 -0.00 -0.02 0.06 0.01 0.01 40 1 0.03 -0.01 -0.01 0.02 -0.01 -0.01 0.73 0.07 0.19 41 1 0.02 -0.01 0.01 0.01 -0.01 0.01 0.58 0.05 0.15 42 1 0.11 0.01 -0.10 0.06 0.00 -0.05 0.01 0.00 0.01 43 1 0.10 -0.00 -0.09 0.04 0.00 -0.03 -0.00 -0.00 0.00 61 62 63 A A A Frequencies -- 895.1869 907.1012 914.8544 Red. masses -- 4.2980 4.6762 1.3822 Frc consts -- 2.0293 2.2670 0.6816 IR Inten -- 126.7935 6.3896 4.3027 Atom AN X Y Z X Y Z X Y Z 1 16 -0.02 0.00 0.07 0.03 -0.00 -0.12 0.00 -0.00 -0.00 2 9 -0.04 -0.03 -0.05 -0.03 -0.02 -0.03 0.00 0.00 0.00 3 9 0.05 0.04 0.04 0.03 0.02 0.03 -0.00 -0.00 -0.00 4 8 0.04 0.16 -0.00 0.03 0.13 0.02 -0.00 -0.00 -0.00 5 1 0.04 0.15 0.02 0.02 0.20 -0.03 -0.00 0.00 -0.00 6 7 0.00 -0.00 0.02 -0.00 -0.01 -0.01 0.03 -0.01 -0.00 7 7 -0.00 0.04 -0.01 0.00 0.02 -0.01 0.03 0.00 0.00 8 7 0.05 -0.01 -0.02 0.00 0.00 0.02 0.01 0.00 0.00 9 7 -0.01 0.06 -0.02 -0.01 -0.09 0.03 0.00 0.00 -0.00 10 7 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 11 6 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.18 0.00 -0.01 12 6 -0.02 -0.00 0.01 0.00 0.02 -0.01 0.03 -0.00 -0.00 13 6 -0.13 -0.11 -0.06 -0.12 -0.08 0.04 0.00 0.01 0.00 14 6 0.05 -0.06 0.09 0.10 -0.07 -0.04 0.00 0.00 0.00 15 6 0.11 -0.12 0.10 0.04 -0.07 0.09 -0.00 0.00 -0.00 16 6 0.03 -0.08 0.06 0.04 -0.04 0.02 -0.00 0.00 -0.00 17 6 0.03 0.01 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.00 18 6 -0.08 0.09 -0.07 -0.07 0.05 -0.02 0.00 -0.00 0.00 19 6 -0.02 0.10 -0.04 -0.01 0.06 -0.02 0.00 -0.00 0.00 20 6 -0.03 -0.06 -0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 21 6 -0.13 -0.07 -0.04 -0.00 -0.02 -0.12 0.00 0.00 -0.00 22 6 0.05 0.01 0.02 0.01 0.01 -0.01 -0.00 0.00 -0.00 23 6 0.06 -0.06 -0.16 -0.08 0.07 0.28 -0.00 -0.00 0.00 24 6 0.02 -0.03 -0.09 -0.04 0.04 0.15 0.00 -0.00 -0.00 25 6 0.02 -0.01 -0.02 -0.02 0.02 0.05 -0.00 -0.00 -0.00 26 6 -0.01 -0.04 0.02 0.00 0.06 -0.03 0.00 -0.00 0.00 27 6 -0.01 -0.05 0.06 0.03 0.08 -0.10 0.00 -0.00 0.00 28 6 0.01 -0.01 -0.01 -0.01 0.01 0.02 0.00 -0.00 -0.00 29 6 -0.02 0.07 0.00 0.02 -0.12 -0.01 -0.00 0.00 0.00 30 6 -0.01 0.05 -0.02 0.00 -0.08 0.02 0.00 0.00 -0.00 31 6 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 32 1 0.05 -0.04 -0.01 0.00 -0.02 -0.01 0.97 -0.03 0.06 33 1 0.09 0.01 0.05 -0.02 0.03 -0.00 -0.16 0.01 -0.01 34 1 0.01 -0.09 -0.08 -0.11 -0.05 0.03 0.00 0.00 -0.00 35 1 -0.08 0.02 -0.14 0.09 0.02 -0.23 -0.00 0.00 0.01 36 1 0.60 -0.09 0.06 0.18 -0.00 -0.25 -0.01 0.00 -0.00 37 1 0.02 -0.14 -0.30 -0.14 0.21 0.46 -0.00 0.00 0.00 38 1 0.03 -0.04 -0.01 -0.04 0.05 0.02 -0.00 -0.00 0.00 39 1 0.00 -0.00 0.10 -0.01 0.00 -0.18 -0.00 -0.00 0.00 40 1 0.03 0.07 0.08 0.02 -0.12 -0.12 -0.00 0.00 0.00 41 1 0.04 0.06 -0.01 -0.01 -0.09 0.02 0.00 -0.00 -0.00 42 1 -0.33 -0.05 -0.13 -0.35 -0.02 0.03 0.01 0.00 0.01 43 1 0.04 0.07 -0.02 -0.02 0.08 0.12 -0.00 -0.00 -0.00 64 65 66 A A A Frequencies -- 937.8497 946.5477 975.6077 Red. masses -- 4.6290 3.8365 6.9360 Frc consts -- 2.3989 2.0252 3.8896 IR Inten -- 209.1212 3.1611 11.8081 Atom AN X Y Z X Y Z X Y Z 1 16 0.02 0.01 -0.05 0.01 0.01 -0.05 -0.00 -0.00 0.00 2 9 0.04 0.02 0.05 -0.05 -0.03 -0.05 0.00 0.00 0.00 3 9 -0.03 -0.03 -0.03 0.03 0.02 0.02 -0.00 -0.00 -0.00 4 8 0.03 0.08 -0.00 -0.04 -0.10 -0.01 0.01 0.02 0.00 5 1 0.04 0.00 -0.11 -0.05 -0.06 0.04 0.01 0.00 -0.01 6 7 0.00 -0.01 0.01 -0.00 0.02 0.01 -0.01 0.36 0.31 7 7 0.00 0.05 -0.02 -0.00 -0.06 0.02 0.01 -0.16 -0.20 8 7 0.01 -0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.14 0.02 9 7 0.02 0.17 -0.08 0.01 0.13 -0.04 0.00 -0.01 0.00 10 7 -0.00 0.01 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 11 6 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.14 -0.31 12 6 -0.01 0.02 0.01 0.00 -0.04 -0.00 -0.01 -0.14 0.16 13 6 -0.01 -0.15 0.01 0.01 0.18 -0.04 -0.00 -0.04 0.06 14 6 0.03 -0.08 0.13 -0.05 0.08 -0.05 -0.00 -0.01 0.00 15 6 -0.10 0.09 -0.09 0.11 -0.09 0.08 -0.01 0.00 -0.00 16 6 -0.05 0.01 -0.07 0.05 -0.06 0.09 -0.00 0.00 -0.01 17 6 -0.02 -0.01 -0.02 0.03 0.01 0.02 -0.00 -0.00 -0.00 18 6 0.05 -0.06 0.06 -0.06 0.10 -0.06 0.00 -0.00 0.00 19 6 0.00 -0.05 0.02 -0.00 0.07 -0.02 -0.00 -0.00 -0.00 20 6 0.03 0.06 -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 21 6 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.01 -0.01 -0.01 22 6 0.00 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 23 6 -0.07 -0.20 0.22 -0.05 -0.15 0.18 0.00 0.01 -0.01 24 6 0.04 -0.04 -0.14 0.03 -0.02 -0.09 -0.00 0.00 0.01 25 6 0.01 -0.02 -0.06 0.01 -0.01 -0.04 -0.00 0.00 0.00 26 6 -0.00 -0.06 0.03 -0.00 -0.03 0.01 0.00 0.00 -0.00 27 6 -0.00 -0.08 0.08 0.00 -0.04 0.05 -0.00 0.00 -0.01 28 6 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 29 6 -0.01 0.11 0.01 -0.01 0.06 0.00 0.00 -0.01 -0.00 30 6 0.00 0.05 -0.02 0.00 0.03 -0.01 -0.00 -0.00 0.00 31 6 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 32 1 0.00 -0.06 -0.03 -0.02 0.06 0.02 0.08 -0.09 -0.46 33 1 0.01 0.04 0.05 -0.01 -0.07 -0.05 -0.01 -0.41 -0.32 34 1 -0.05 0.01 -0.06 0.07 -0.06 0.07 -0.02 0.00 -0.01 35 1 0.10 -0.01 0.04 -0.10 0.06 -0.05 0.01 -0.01 -0.00 36 1 -0.09 -0.00 -0.02 0.05 -0.00 0.12 -0.04 -0.01 -0.06 37 1 -0.12 -0.02 0.47 -0.11 -0.01 0.39 0.01 0.00 -0.02 38 1 -0.01 -0.07 0.06 0.00 -0.04 0.05 -0.01 0.00 -0.01 39 1 -0.08 -0.02 0.12 -0.07 -0.02 0.06 0.02 0.00 -0.00 40 1 -0.04 0.10 0.08 -0.02 0.06 0.04 0.00 -0.01 -0.00 41 1 -0.00 0.05 -0.02 -0.00 0.03 -0.01 0.00 -0.00 -0.00 42 1 -0.36 -0.01 -0.21 0.46 0.00 0.22 -0.04 -0.02 -0.02 43 1 0.34 0.23 0.09 -0.38 -0.28 -0.17 -0.01 0.02 0.13 67 68 69 A A A Frequencies -- 979.9143 1003.0966 1010.8828 Red. masses -- 1.3264 2.9501 1.3249 Frc consts -- 0.7504 1.7489 0.7977 IR Inten -- 0.4762 66.4202 0.1671 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 2 9 -0.00 -0.00 -0.00 0.02 0.01 0.03 -0.00 -0.00 -0.00 3 9 -0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.00 0.00 0.00 4 8 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 5 1 -0.00 0.00 -0.00 -0.08 0.47 -0.01 0.00 -0.00 -0.00 6 7 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 7 7 -0.00 0.00 0.00 -0.00 -0.09 0.03 0.00 0.00 -0.00 8 7 0.00 0.00 -0.00 0.05 0.04 -0.01 -0.00 -0.00 -0.00 9 7 -0.00 0.00 -0.00 0.01 -0.03 -0.02 0.00 -0.00 0.00 10 7 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 11 6 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 12 6 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 13 6 -0.00 0.00 -0.00 -0.17 0.13 -0.07 0.00 -0.00 0.00 14 6 0.00 -0.00 0.00 0.20 -0.08 0.19 -0.00 0.00 -0.00 15 6 0.00 0.00 -0.00 -0.04 0.05 -0.05 0.00 -0.00 0.00 16 6 0.00 -0.00 0.00 -0.03 0.00 -0.05 0.00 -0.00 0.00 17 6 0.00 -0.00 0.00 -0.02 -0.00 -0.02 0.00 -0.00 0.00 18 6 -0.00 0.00 -0.00 0.03 -0.04 0.03 -0.00 0.00 -0.00 19 6 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 20 6 0.00 0.00 0.00 0.01 0.05 -0.00 -0.00 -0.00 0.00 21 6 -0.00 0.00 -0.00 -0.04 -0.01 -0.04 0.00 -0.00 0.00 22 6 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.00 0.00 0.00 23 6 -0.00 -0.00 0.01 0.00 0.02 -0.01 0.00 -0.00 0.00 24 6 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 25 6 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.00 0.01 26 6 0.11 0.01 0.03 -0.00 0.00 0.00 0.01 0.00 0.00 27 6 -0.12 -0.01 -0.03 0.00 -0.00 0.00 -0.01 -0.00 -0.00 28 6 0.02 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 29 6 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.01 0.03 30 6 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.12 -0.01 -0.03 31 6 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 32 1 -0.00 0.00 0.00 -0.03 0.11 0.06 0.00 -0.00 -0.00 33 1 -0.00 0.00 0.00 0.01 -0.04 -0.04 -0.00 0.00 0.00 34 1 0.00 -0.00 0.00 -0.08 -0.00 -0.09 0.00 -0.00 0.00 35 1 0.00 0.00 -0.00 0.05 -0.01 0.03 -0.00 0.00 0.00 36 1 0.01 0.00 0.00 0.10 0.01 -0.21 0.00 -0.00 -0.00 37 1 -0.04 -0.00 -0.00 0.01 0.02 -0.02 -0.01 -0.00 -0.01 38 1 -0.61 -0.07 -0.15 0.00 0.00 -0.00 -0.00 0.00 -0.01 39 1 0.73 0.07 0.19 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 40 1 0.02 0.00 0.01 -0.01 0.00 0.00 -0.61 -0.06 -0.16 41 1 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.73 0.05 0.18 42 1 0.00 -0.00 0.00 0.21 -0.06 0.37 0.00 0.00 -0.00 43 1 -0.00 -0.00 -0.00 -0.35 -0.29 -0.35 0.00 0.00 0.00 70 71 72 A A A Frequencies -- 1039.4108 1042.1749 1049.5624 Red. masses -- 3.3044 2.8966 4.2690 Frc consts -- 2.1034 1.8536 2.7707 IR Inten -- 261.2374 7.0515 38.2147 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 2 9 0.03 0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 3 9 0.05 0.04 0.04 0.00 0.00 0.00 -0.01 -0.00 -0.00 4 8 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.09 -0.00 5 1 -0.02 0.09 0.17 -0.00 0.02 0.01 -0.07 0.29 0.01 6 7 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.05 0.04 7 7 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.36 -0.08 8 7 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.08 -0.02 9 7 -0.00 0.03 0.01 -0.01 -0.03 0.02 -0.00 0.02 0.01 10 7 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 11 6 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.08 12 6 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.26 -0.05 13 6 -0.02 0.01 0.00 -0.00 -0.00 0.00 -0.06 0.03 0.08 14 6 0.03 0.01 -0.08 0.01 0.00 -0.02 0.12 0.07 -0.03 15 6 0.06 -0.15 0.07 0.00 -0.00 0.00 -0.02 0.02 -0.00 16 6 -0.08 0.23 -0.09 -0.00 0.01 -0.00 -0.00 -0.02 -0.01 17 6 -0.05 0.00 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 18 6 0.05 -0.21 0.05 -0.00 -0.00 0.00 -0.00 0.01 0.01 19 6 -0.02 0.10 -0.04 -0.00 0.00 -0.00 -0.00 -0.02 0.00 20 6 -0.04 -0.09 -0.02 -0.00 -0.00 -0.00 0.01 0.02 -0.00 21 6 -0.03 0.03 0.04 -0.00 0.00 -0.00 -0.01 0.01 -0.01 22 6 0.00 -0.04 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 23 6 -0.00 -0.03 0.02 -0.00 0.04 0.00 0.00 -0.01 -0.00 24 6 0.00 0.01 -0.02 -0.00 0.00 0.01 -0.00 -0.00 0.01 25 6 0.00 -0.00 -0.01 0.01 -0.01 -0.03 -0.00 0.00 0.00 26 6 0.00 -0.01 0.00 -0.01 0.20 -0.05 -0.00 0.00 -0.00 27 6 -0.00 0.00 0.00 -0.01 -0.18 0.10 0.00 0.00 -0.00 28 6 0.00 0.00 -0.00 0.01 -0.02 -0.04 0.00 -0.00 -0.00 29 6 0.00 -0.00 0.00 -0.01 0.20 -0.05 0.00 -0.00 -0.00 30 6 -0.00 0.00 -0.00 -0.00 -0.18 0.10 -0.00 -0.00 0.00 31 6 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 32 1 0.00 0.01 0.00 0.00 0.00 0.00 -0.02 -0.43 -0.18 33 1 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.41 -0.29 34 1 -0.15 0.25 -0.46 -0.01 0.01 -0.00 -0.03 -0.02 0.01 35 1 -0.10 -0.62 -0.10 0.00 -0.01 -0.01 0.05 0.05 -0.01 36 1 0.09 0.02 0.19 0.01 0.00 -0.00 0.04 -0.00 0.12 37 1 -0.02 -0.01 0.04 -0.01 0.07 0.04 0.01 -0.02 -0.03 38 1 -0.01 -0.01 0.02 0.06 0.25 -0.38 0.00 0.01 -0.01 39 1 -0.00 0.01 0.01 0.07 -0.43 -0.09 0.00 -0.00 -0.01 40 1 -0.00 -0.00 0.00 0.08 0.26 -0.34 0.00 -0.00 -0.01 41 1 0.00 0.03 0.01 0.05 -0.45 -0.11 0.00 -0.01 -0.00 42 1 -0.03 0.00 0.04 -0.01 0.00 0.00 0.05 -0.00 0.11 43 1 -0.08 -0.03 0.02 -0.01 0.00 0.01 -0.27 0.01 0.26 73 74 75 A A A Frequencies -- 1054.2963 1106.1122 1151.6804 Red. masses -- 3.3441 2.0121 1.3456 Frc consts -- 2.1900 1.4504 1.0515 IR Inten -- 53.6821 15.4719 8.8605 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 2 9 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 3 9 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 4 8 0.01 -0.14 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 5 1 -0.09 0.39 0.02 -0.01 0.07 0.01 0.00 -0.02 -0.00 6 7 -0.00 0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 7 7 -0.00 -0.09 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 8 7 -0.01 0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 9 7 -0.01 0.08 0.03 -0.01 -0.13 0.05 0.00 0.03 -0.01 10 7 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 11 6 0.00 -0.02 -0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 12 6 -0.00 0.13 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 13 6 -0.10 -0.10 0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 14 6 0.22 0.14 -0.18 0.02 0.02 -0.05 -0.00 0.00 0.01 15 6 -0.03 0.04 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 16 6 0.01 -0.05 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 17 6 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 18 6 -0.02 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 19 6 0.00 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 20 6 0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 6 -0.07 0.07 0.03 -0.01 -0.02 0.02 0.00 0.00 -0.00 22 6 0.01 -0.08 0.02 -0.02 0.05 0.06 0.00 -0.01 -0.02 23 6 0.00 -0.03 -0.01 0.01 0.11 -0.05 0.00 -0.01 -0.01 24 6 -0.00 0.01 0.00 0.02 -0.06 -0.07 -0.00 -0.01 0.01 25 6 -0.00 -0.00 0.01 0.04 -0.07 -0.12 -0.01 -0.03 0.05 26 6 0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.02 0.06 0.04 27 6 0.00 0.00 -0.00 -0.01 -0.02 0.03 0.02 0.02 -0.08 28 6 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.04 0.02 29 6 0.00 -0.01 -0.00 -0.02 0.07 0.04 -0.02 0.04 0.05 30 6 -0.00 0.00 -0.00 0.01 0.05 -0.04 0.02 0.00 -0.07 31 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 32 1 0.01 0.08 0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 33 1 0.03 0.18 0.11 0.00 0.01 0.01 -0.00 -0.00 -0.00 34 1 -0.05 -0.05 0.08 -0.00 -0.00 0.01 -0.00 0.00 -0.01 35 1 0.13 0.16 -0.06 0.01 0.01 -0.01 -0.00 -0.01 -0.00 36 1 0.11 0.01 0.60 0.01 -0.01 0.01 -0.01 0.00 0.02 37 1 0.02 -0.09 -0.09 -0.16 0.60 0.57 0.00 -0.03 -0.03 38 1 0.01 0.00 -0.02 -0.08 -0.08 0.32 -0.08 0.02 0.36 39 1 -0.00 0.01 0.00 -0.00 -0.03 0.03 0.11 -0.30 -0.33 40 1 -0.00 -0.01 -0.00 -0.06 0.04 0.23 -0.12 -0.03 0.48 41 1 0.00 0.01 0.01 -0.01 0.13 0.01 0.14 -0.43 -0.40 42 1 -0.25 -0.03 -0.11 -0.02 -0.00 -0.02 0.00 -0.00 0.00 43 1 -0.04 0.12 0.20 -0.03 0.01 0.05 0.01 -0.00 -0.01 76 77 78 A A A Frequencies -- 1179.2569 1188.2991 1210.4142 Red. masses -- 1.7825 1.8374 1.6770 Frc consts -- 1.4605 1.5287 1.4477 IR Inten -- 19.7172 25.5942 77.2786 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 2 9 0.01 0.01 0.01 0.00 0.00 0.00 0.03 0.03 0.04 3 9 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.03 0.04 4 8 0.00 0.06 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 5 1 0.04 -0.12 -0.03 0.00 -0.01 0.00 -0.00 0.01 -0.01 6 7 0.00 0.00 0.02 -0.00 -0.11 -0.01 -0.00 0.00 0.00 7 7 0.00 -0.03 0.03 0.00 0.01 -0.02 -0.00 0.00 -0.00 8 7 0.00 0.10 -0.05 0.00 -0.02 -0.05 0.00 -0.01 0.01 9 7 -0.01 0.02 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 10 7 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 11 6 -0.00 0.00 0.02 0.01 0.18 -0.08 0.00 -0.00 0.00 12 6 -0.00 -0.11 -0.02 -0.01 -0.12 0.06 0.00 0.01 0.00 13 6 0.02 0.02 0.02 -0.00 0.00 0.04 0.00 -0.00 -0.01 14 6 0.01 -0.11 -0.11 0.00 0.01 0.00 -0.00 0.01 0.01 15 6 -0.02 0.01 -0.01 0.00 0.00 0.00 0.02 -0.04 0.02 16 6 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 0.00 17 6 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.05 -0.07 -0.06 18 6 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.03 -0.04 0.04 19 6 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.06 -0.00 -0.05 20 6 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.11 -0.04 -0.10 21 6 -0.01 0.07 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.01 22 6 0.00 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 23 6 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 24 6 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 25 6 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 26 6 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 27 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 28 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 29 6 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 30 6 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 31 6 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 32 1 -0.01 0.08 0.07 0.01 0.65 0.17 -0.00 -0.01 -0.01 33 1 -0.01 -0.22 -0.21 -0.03 0.18 0.65 0.00 0.01 -0.00 34 1 0.08 -0.01 0.17 -0.01 -0.00 -0.01 0.12 0.02 0.19 35 1 0.04 0.10 0.02 0.01 0.03 0.01 0.35 0.78 0.34 36 1 -0.03 0.04 0.31 -0.00 -0.00 -0.01 0.04 0.02 -0.15 37 1 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 38 1 -0.00 -0.00 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.05 39 1 -0.00 0.00 0.01 0.00 0.00 -0.00 0.02 -0.05 -0.04 40 1 -0.00 0.00 0.02 0.00 -0.00 -0.00 0.01 0.01 -0.04 41 1 -0.00 0.02 0.01 0.00 -0.00 -0.00 -0.01 0.03 0.02 42 1 -0.39 0.04 0.55 -0.04 0.01 0.07 0.01 0.00 -0.05 43 1 0.31 -0.04 -0.34 -0.02 0.03 0.10 -0.05 -0.02 0.02 79 80 81 A A A Frequencies -- 1214.8789 1218.3149 1246.1272 Red. masses -- 1.2107 1.4670 3.4533 Frc consts -- 1.0529 1.2829 3.1595 IR Inten -- 4.2715 23.2827 17.2381 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 2 9 0.00 0.00 0.00 0.02 0.01 0.02 0.00 0.00 0.00 3 9 0.00 -0.00 0.00 0.01 0.02 0.01 -0.00 -0.00 -0.00 4 8 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 5 1 0.00 -0.01 0.01 -0.02 0.17 -0.08 -0.00 0.03 0.00 6 7 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 7 7 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.02 8 7 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.01 -0.02 9 7 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 10 7 -0.01 0.01 0.03 -0.00 0.00 0.00 0.03 -0.04 -0.11 11 6 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 12 6 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 13 6 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 14 6 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 -0.03 -0.03 15 6 0.01 -0.00 0.01 -0.08 -0.03 -0.08 0.00 -0.00 0.00 16 6 -0.00 -0.00 -0.00 0.02 0.05 0.00 0.00 -0.00 0.00 17 6 -0.00 -0.01 -0.00 -0.03 -0.01 -0.04 -0.00 -0.01 -0.00 18 6 0.00 -0.01 0.01 -0.02 0.02 -0.03 -0.00 -0.00 -0.00 19 6 -0.01 -0.00 -0.01 0.03 0.04 0.03 -0.00 0.00 -0.00 20 6 -0.01 0.01 -0.01 -0.01 -0.11 0.01 0.01 0.01 0.00 21 6 -0.00 -0.01 0.00 -0.00 0.01 0.01 -0.00 0.01 0.02 22 6 -0.00 0.01 0.00 -0.00 -0.02 0.01 -0.01 0.00 0.03 23 6 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.05 0.07 24 6 0.01 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.03 0.00 25 6 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.02 -0.02 -0.09 26 6 0.01 0.03 -0.04 0.00 0.00 -0.00 0.03 -0.11 -0.08 27 6 -0.01 0.04 0.02 -0.00 0.00 0.00 -0.03 0.02 0.10 28 6 0.02 -0.03 -0.08 0.00 -0.00 -0.01 -0.09 0.13 0.31 29 6 -0.01 -0.03 0.03 -0.00 -0.00 0.01 -0.03 0.04 0.09 30 6 0.00 -0.04 0.01 0.00 -0.01 -0.00 0.03 0.01 -0.12 31 6 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.02 -0.05 32 1 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.13 -0.08 33 1 0.00 -0.00 -0.01 -0.00 0.03 0.04 -0.01 0.08 0.16 34 1 -0.04 -0.00 -0.06 0.47 0.04 0.75 -0.01 -0.00 -0.01 35 1 0.04 0.08 0.04 -0.17 -0.26 -0.10 0.01 0.02 0.00 36 1 -0.00 -0.01 0.01 0.02 0.02 -0.07 0.02 0.02 -0.06 37 1 -0.02 0.06 0.07 0.00 -0.01 -0.01 0.08 -0.20 -0.26 38 1 0.09 0.08 -0.40 0.01 0.01 -0.04 0.13 -0.06 -0.49 39 1 -0.14 0.49 0.37 -0.02 0.06 0.05 -0.02 -0.01 0.10 40 1 -0.11 -0.10 0.48 -0.02 -0.01 0.07 -0.00 0.07 -0.02 41 1 0.07 -0.31 -0.19 0.01 -0.03 -0.02 0.14 -0.36 -0.42 42 1 -0.01 0.00 0.00 0.05 -0.01 -0.06 0.02 0.01 0.01 43 1 0.00 -0.00 -0.00 -0.04 -0.00 0.05 -0.05 -0.01 0.04 82 83 84 A A A Frequencies -- 1249.6508 1253.8930 1279.0933 Red. masses -- 1.5804 1.8036 3.7895 Frc consts -- 1.4541 1.6707 3.6529 IR Inten -- 5.3047 18.3930 69.8644 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.01 2 9 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.02 -0.03 3 9 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.04 0.03 0.03 4 8 0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.08 -0.01 5 1 0.01 0.00 0.00 0.00 -0.05 -0.01 -0.00 -0.14 -0.02 6 7 0.01 0.08 -0.05 0.00 0.05 -0.02 0.00 0.05 0.01 7 7 -0.01 0.00 0.08 -0.00 -0.01 0.04 -0.00 -0.06 0.05 8 7 0.01 -0.04 -0.07 0.01 -0.00 -0.05 0.03 0.11 -0.10 9 7 -0.00 0.00 0.01 0.00 0.01 -0.02 0.01 -0.06 -0.03 10 7 -0.01 0.01 0.02 0.01 -0.01 -0.02 -0.00 0.00 0.00 11 6 0.00 -0.02 -0.02 0.00 -0.01 -0.01 -0.00 -0.03 0.02 12 6 -0.00 -0.03 0.00 -0.00 -0.03 -0.00 -0.00 -0.09 -0.03 13 6 0.00 0.04 0.04 -0.01 0.01 0.03 -0.03 -0.07 0.05 14 6 -0.00 -0.07 -0.03 0.00 0.01 0.02 0.02 0.30 0.09 15 6 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.02 -0.03 16 6 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 17 6 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.04 0.05 0.04 18 6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.02 0.04 19 6 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.04 0.00 20 6 0.01 0.02 0.01 -0.00 -0.01 0.00 -0.09 -0.10 -0.08 21 6 -0.00 0.03 0.01 -0.00 -0.03 -0.00 0.00 -0.12 -0.03 22 6 -0.00 -0.03 0.01 0.01 0.04 -0.04 -0.00 0.12 0.01 23 6 -0.01 0.03 0.03 0.03 -0.08 -0.09 -0.01 0.01 0.05 24 6 -0.00 0.01 0.01 0.01 -0.04 -0.04 -0.00 0.05 0.01 25 6 0.01 -0.02 -0.05 -0.04 0.06 0.15 0.01 0.01 -0.05 26 6 -0.01 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.01 27 6 0.00 -0.01 0.00 0.01 0.02 -0.03 -0.00 -0.01 0.01 28 6 0.02 -0.02 -0.06 -0.02 0.02 0.06 0.00 0.01 -0.01 29 6 -0.00 0.01 -0.00 0.01 -0.05 -0.02 -0.00 0.01 0.01 30 6 -0.00 -0.01 0.01 -0.01 0.02 0.02 0.00 -0.02 -0.01 31 6 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 32 1 0.01 -0.53 -0.30 0.00 -0.27 -0.15 -0.01 -0.16 -0.04 33 1 -0.02 0.28 0.60 -0.01 0.13 0.29 0.01 -0.02 0.09 34 1 -0.02 -0.01 -0.02 0.04 0.00 0.06 -0.00 0.04 -0.02 35 1 0.01 0.03 0.00 -0.00 0.01 0.01 -0.04 -0.20 -0.03 36 1 0.02 0.03 -0.03 -0.06 -0.05 0.22 0.03 -0.10 -0.24 37 1 0.05 -0.13 -0.18 -0.14 0.38 0.51 0.05 -0.18 -0.19 38 1 -0.04 -0.01 0.17 0.06 0.04 -0.27 -0.03 -0.03 0.13 39 1 -0.01 0.02 0.02 0.03 -0.06 -0.09 -0.01 0.02 0.03 40 1 -0.03 -0.01 0.12 0.08 -0.00 -0.30 -0.02 -0.00 0.06 41 1 -0.04 0.12 0.10 0.05 -0.18 -0.13 0.00 -0.02 -0.01 42 1 0.04 0.02 0.07 -0.05 0.01 0.08 -0.46 0.01 0.27 43 1 -0.08 -0.02 0.06 0.04 -0.00 -0.04 0.40 0.09 -0.20 85 86 87 A A A Frequencies -- 1284.8650 1305.3223 1318.8132 Red. masses -- 3.2203 3.4955 1.7974 Frc consts -- 3.1323 3.5091 1.8419 IR Inten -- 31.2491 165.2016 25.6431 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 2 9 0.04 0.04 0.05 -0.05 -0.05 -0.06 0.02 0.02 0.02 3 9 -0.03 -0.02 -0.03 0.03 0.02 0.03 -0.02 -0.02 -0.02 4 8 0.00 0.00 0.00 0.05 0.00 0.01 0.05 -0.04 0.00 5 1 -0.01 0.04 -0.02 -0.08 0.72 0.04 -0.08 0.66 0.05 6 7 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 7 7 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.02 0.01 8 7 0.00 -0.00 0.00 -0.01 -0.03 0.02 0.01 0.05 -0.05 9 7 0.02 -0.12 -0.06 0.01 -0.09 -0.03 0.00 -0.01 -0.00 10 7 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 11 6 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.02 0.02 12 6 0.00 0.00 0.00 0.00 0.02 0.01 -0.00 -0.03 -0.01 13 6 -0.01 0.00 -0.00 0.03 0.01 -0.01 0.00 -0.03 0.04 14 6 -0.01 -0.00 -0.00 -0.06 -0.14 -0.07 -0.11 0.04 -0.04 15 6 0.05 -0.04 0.05 -0.07 -0.01 -0.08 0.04 0.00 0.04 16 6 -0.03 -0.02 -0.04 0.06 0.03 0.07 -0.01 -0.02 -0.01 17 6 -0.08 -0.09 -0.09 0.09 0.13 0.10 -0.03 -0.05 -0.04 18 6 -0.05 -0.02 -0.06 0.06 -0.00 0.06 -0.03 -0.01 -0.04 19 6 -0.00 0.08 -0.01 -0.00 -0.10 0.00 0.01 0.03 0.01 20 6 0.10 0.04 0.10 -0.11 0.01 -0.12 0.06 0.03 0.06 21 6 -0.02 -0.11 0.04 -0.03 -0.01 0.10 -0.00 0.02 0.05 22 6 0.01 0.26 -0.02 -0.01 0.10 0.03 -0.02 -0.06 0.04 23 6 -0.02 -0.01 0.06 -0.00 -0.06 0.01 0.00 -0.03 -0.02 24 6 0.01 0.08 -0.02 0.02 0.11 -0.07 0.01 0.04 -0.04 25 6 0.00 0.05 -0.03 -0.01 0.10 0.00 -0.01 0.04 0.01 26 6 -0.01 -0.01 0.03 -0.01 -0.02 0.03 -0.00 -0.01 0.01 27 6 0.00 -0.02 -0.01 0.01 -0.02 -0.02 0.00 -0.01 -0.01 28 6 0.01 0.01 -0.03 0.00 0.01 -0.02 0.00 -0.00 -0.00 29 6 -0.00 -0.01 0.01 -0.00 -0.03 0.01 0.00 -0.01 0.00 30 6 0.00 -0.02 0.01 -0.00 -0.02 0.02 -0.00 -0.00 0.01 31 6 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 32 1 -0.00 0.02 0.02 0.00 0.03 0.00 -0.00 0.05 0.06 33 1 0.00 -0.01 -0.03 -0.01 0.01 -0.01 0.00 -0.04 -0.01 34 1 0.10 -0.04 0.15 -0.05 0.04 -0.06 -0.03 -0.03 -0.03 35 1 0.00 0.17 0.02 0.04 -0.04 0.06 -0.02 0.05 -0.01 36 1 -0.19 -0.20 0.70 -0.03 -0.02 0.25 0.16 0.10 -0.59 37 1 0.06 -0.23 -0.22 0.01 -0.09 -0.02 -0.01 0.01 0.05 38 1 -0.05 -0.04 0.22 -0.05 -0.05 0.23 -0.02 -0.02 0.09 39 1 -0.00 -0.00 0.00 -0.01 0.04 0.03 -0.01 0.03 0.02 40 1 0.01 -0.01 -0.02 0.04 -0.00 -0.15 0.03 0.00 -0.10 41 1 0.01 -0.08 -0.04 0.05 -0.22 -0.13 0.03 -0.11 -0.07 42 1 0.05 -0.01 -0.03 0.06 0.01 -0.08 -0.01 -0.01 -0.03 43 1 0.02 0.01 -0.02 -0.07 -0.06 0.02 0.20 0.07 -0.05 88 89 90 A A A Frequencies -- 1335.5040 1336.9386 1350.6057 Red. masses -- 1.8613 1.7416 2.7005 Frc consts -- 1.9560 1.8341 2.9024 IR Inten -- 24.5137 19.8017 8.4127 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 2 9 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 9 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 4 8 0.03 -0.02 -0.00 -0.03 0.01 0.00 -0.03 0.02 0.01 5 1 -0.05 0.40 0.02 0.04 -0.33 -0.01 0.05 -0.34 -0.02 6 7 -0.00 -0.10 0.01 -0.00 -0.08 0.00 -0.00 -0.05 0.01 7 7 -0.00 0.01 0.09 -0.00 0.01 0.06 -0.00 -0.00 0.04 8 7 0.00 0.00 0.08 -0.00 -0.02 0.07 -0.01 0.00 0.02 9 7 -0.00 0.02 0.00 -0.01 -0.01 0.04 0.02 -0.05 -0.08 10 7 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 11 6 0.01 0.11 -0.11 0.01 0.08 -0.09 0.00 0.04 -0.04 12 6 0.00 0.01 -0.01 0.00 0.03 -0.00 0.00 0.02 -0.01 13 6 -0.02 -0.01 -0.00 -0.02 0.01 -0.02 0.02 0.01 -0.03 14 6 -0.07 0.02 0.01 0.05 0.02 -0.02 0.08 -0.00 -0.07 15 6 0.00 -0.01 0.00 0.01 0.02 0.01 0.01 0.03 0.01 16 6 0.01 0.01 0.01 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 17 6 0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.02 0.00 18 6 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.02 0.00 19 6 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 20 6 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 21 6 0.01 -0.01 -0.02 -0.00 0.01 0.00 -0.03 0.01 0.08 22 6 0.01 0.02 -0.04 -0.00 -0.04 0.01 -0.04 0.01 0.13 23 6 -0.00 0.02 0.01 0.00 -0.03 -0.02 0.00 -0.03 -0.02 24 6 -0.01 -0.03 0.03 0.01 0.05 -0.02 0.02 0.04 -0.07 25 6 0.00 -0.07 0.02 0.00 0.09 -0.04 -0.02 0.10 0.02 26 6 -0.00 0.01 -0.00 0.00 -0.00 -0.02 -0.02 -0.04 0.11 27 6 -0.01 0.02 0.02 0.01 -0.02 -0.01 0.01 -0.05 -0.02 28 6 -0.00 0.03 -0.00 0.00 -0.06 0.01 0.00 0.19 -0.08 29 6 0.00 0.01 -0.02 -0.01 -0.01 0.03 -0.00 -0.06 0.04 30 6 0.00 -0.00 -0.02 -0.01 0.01 0.02 0.02 -0.08 -0.03 31 6 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.02 0.01 32 1 0.00 -0.29 -0.36 0.01 -0.21 -0.27 0.01 -0.09 -0.13 33 1 0.00 -0.04 -0.11 0.01 -0.02 -0.09 0.00 -0.03 -0.10 34 1 -0.02 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 35 1 0.01 0.04 0.02 -0.01 -0.03 -0.02 -0.01 -0.05 -0.04 36 1 -0.04 -0.03 0.15 0.05 0.04 -0.19 0.11 0.07 -0.38 37 1 -0.00 0.02 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.03 38 1 0.06 0.05 -0.25 -0.10 -0.07 0.43 0.08 0.02 -0.32 39 1 0.04 -0.15 -0.11 -0.08 0.27 0.21 0.10 -0.35 -0.25 40 1 -0.06 -0.03 0.23 0.09 0.06 -0.36 -0.07 -0.11 0.32 41 1 -0.05 0.20 0.14 0.08 -0.31 -0.22 -0.05 0.12 0.13 42 1 0.06 -0.02 -0.06 0.03 -0.01 0.02 -0.11 0.02 0.09 43 1 0.36 -0.02 -0.39 0.10 -0.02 -0.18 -0.18 -0.02 0.14 91 92 93 A A A Frequencies -- 1364.5934 1374.5656 1380.9386 Red. masses -- 2.3662 4.8296 4.8508 Frc consts -- 2.5960 5.3764 5.4502 IR Inten -- 73.9720 3.1500 3.9850 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 2 9 0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 0.01 3 9 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.02 -0.02 -0.01 4 8 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.03 0.02 0.00 5 1 -0.01 0.11 -0.01 -0.01 0.08 -0.01 0.04 -0.34 -0.04 6 7 -0.00 -0.07 0.06 -0.01 -0.05 0.07 0.00 0.02 -0.04 7 7 -0.01 -0.04 0.09 -0.01 -0.05 0.07 0.00 0.02 -0.03 8 7 -0.02 0.08 -0.05 -0.00 0.10 -0.10 0.00 -0.04 0.05 9 7 0.03 0.00 -0.12 -0.06 0.03 0.21 0.02 -0.04 -0.07 10 7 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 11 6 0.01 0.06 -0.05 0.00 0.04 -0.02 -0.00 -0.02 0.00 12 6 0.00 0.01 -0.05 0.00 -0.01 -0.06 -0.00 -0.00 0.03 13 6 0.10 -0.02 -0.06 0.06 -0.03 -0.02 -0.06 0.01 0.02 14 6 -0.01 -0.01 0.00 -0.04 0.02 0.12 0.06 0.06 -0.07 15 6 0.01 -0.01 0.00 -0.00 -0.12 0.01 0.01 -0.21 0.04 16 6 0.00 -0.00 0.00 0.04 -0.04 0.05 0.05 -0.09 0.07 17 6 -0.01 0.01 -0.01 -0.06 0.15 -0.08 -0.11 0.26 -0.12 18 6 -0.00 -0.01 -0.00 -0.01 -0.10 -0.01 0.01 -0.14 0.01 19 6 0.00 0.00 0.01 0.04 -0.01 0.05 0.06 -0.06 0.08 20 6 0.00 0.02 -0.00 -0.00 0.15 -0.02 -0.02 0.27 -0.06 21 6 -0.01 -0.00 0.03 0.03 -0.00 -0.11 -0.03 -0.02 0.07 22 6 -0.02 0.04 0.08 0.05 -0.08 -0.19 -0.02 0.03 0.07 23 6 -0.00 0.04 0.02 0.01 -0.04 -0.03 -0.00 -0.00 0.01 24 6 -0.01 -0.08 0.02 -0.00 0.08 0.01 0.01 0.02 -0.04 25 6 -0.00 -0.07 0.05 0.01 0.11 -0.09 -0.01 -0.08 0.06 26 6 0.01 0.03 -0.04 -0.01 -0.04 0.04 0.01 0.02 -0.03 27 6 -0.00 0.05 -0.00 0.01 -0.08 -0.00 -0.01 0.07 0.02 28 6 0.00 -0.11 0.04 -0.00 0.14 -0.04 0.00 -0.08 0.02 29 6 0.01 0.02 -0.04 -0.02 -0.03 0.07 0.02 0.01 -0.06 30 6 -0.01 0.06 0.02 0.02 -0.08 -0.04 -0.01 0.05 0.03 31 6 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 32 1 0.01 -0.14 -0.17 0.01 -0.10 -0.10 -0.00 0.05 0.04 33 1 0.00 -0.06 -0.18 0.00 -0.05 -0.15 0.00 -0.00 0.05 34 1 0.01 -0.01 0.00 0.11 -0.05 0.14 0.24 -0.10 0.32 35 1 0.00 -0.01 -0.01 0.01 -0.02 0.05 0.03 -0.14 -0.01 36 1 0.02 0.00 -0.03 -0.05 -0.04 0.20 0.12 0.03 -0.34 37 1 0.02 -0.03 -0.08 -0.04 0.07 0.13 0.02 -0.05 -0.05 38 1 -0.00 0.03 0.00 -0.02 -0.05 0.11 0.02 0.03 -0.10 39 1 -0.02 0.11 0.04 -0.01 -0.04 0.04 0.03 -0.06 -0.08 40 1 0.04 0.05 -0.15 -0.03 -0.04 0.12 -0.01 0.00 0.02 41 1 0.01 -0.02 -0.04 -0.00 0.00 0.03 -0.01 0.03 0.01 42 1 -0.34 0.07 0.11 -0.15 0.03 -0.03 0.11 -0.04 0.03 43 1 -0.53 -0.00 0.57 -0.41 0.05 0.53 0.28 0.02 -0.30 94 95 96 A A A Frequencies -- 1391.9075 1399.5110 1435.1527 Red. masses -- 5.1483 2.1725 4.2433 Frc consts -- 5.8768 2.5070 5.1494 IR Inten -- 122.1813 4.7292 45.4397 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 2 9 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.03 0.00 0.03 3 9 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.02 4 8 -0.02 0.02 0.00 -0.02 0.02 0.00 0.01 0.00 0.00 5 1 0.03 -0.23 0.01 0.03 -0.18 -0.01 -0.01 0.14 -0.02 6 7 -0.00 -0.03 0.06 -0.01 -0.03 0.08 -0.00 -0.01 0.01 7 7 -0.00 -0.02 0.04 -0.00 -0.03 0.05 -0.00 -0.00 -0.00 8 7 0.01 0.04 -0.08 0.03 0.09 -0.15 0.00 -0.01 -0.02 9 7 -0.05 -0.11 0.17 0.02 0.02 -0.05 -0.00 0.01 0.01 10 7 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 11 6 0.00 0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 0.01 12 6 0.00 0.01 -0.04 0.00 -0.01 -0.05 0.00 0.01 -0.01 13 6 -0.02 -0.00 0.04 -0.11 -0.01 0.14 0.01 0.02 0.02 14 6 0.06 -0.04 -0.01 0.04 -0.04 -0.04 -0.06 -0.04 -0.02 15 6 -0.00 0.07 -0.01 -0.02 -0.02 -0.01 0.17 0.10 0.18 16 6 -0.03 0.00 -0.03 0.01 0.01 0.00 -0.12 -0.12 -0.14 17 6 0.03 -0.05 0.03 0.01 0.01 0.02 -0.10 -0.00 -0.10 18 6 0.01 0.04 0.01 0.00 -0.00 0.01 0.15 0.20 0.17 19 6 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 -0.07 -0.14 -0.07 20 6 0.01 -0.05 0.02 -0.01 -0.00 -0.01 -0.09 0.05 -0.10 21 6 -0.03 -0.01 0.06 -0.00 0.01 0.01 0.00 -0.00 0.01 22 6 0.03 -0.00 -0.10 -0.01 0.01 0.03 0.01 0.00 -0.03 23 6 -0.00 -0.12 0.01 -0.00 0.03 0.00 -0.00 0.01 0.00 24 6 0.04 0.31 -0.16 -0.01 -0.07 0.02 -0.00 -0.02 0.01 25 6 -0.01 -0.15 0.07 -0.00 0.02 -0.00 0.00 -0.00 -0.00 26 6 0.03 -0.00 -0.10 -0.01 0.00 0.02 -0.00 0.00 0.01 27 6 -0.04 0.14 0.11 0.01 -0.02 -0.02 0.00 -0.01 -0.01 28 6 -0.00 -0.09 0.04 0.00 0.01 -0.00 -0.00 0.00 0.00 29 6 0.04 0.02 -0.18 -0.01 -0.00 0.03 -0.00 0.00 0.01 30 6 -0.03 0.07 0.07 0.00 -0.01 -0.01 0.00 -0.01 -0.01 31 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 32 1 0.00 -0.01 -0.02 -0.00 0.03 0.02 -0.00 -0.01 0.00 33 1 0.01 -0.03 -0.13 0.01 -0.07 -0.18 -0.00 0.01 -0.00 34 1 -0.02 0.01 -0.03 0.01 0.02 0.02 0.23 -0.15 0.34 35 1 -0.03 -0.02 -0.01 0.03 0.03 0.01 -0.07 -0.62 -0.24 36 1 0.06 0.01 -0.20 -0.02 -0.00 0.07 -0.02 -0.01 0.09 37 1 -0.01 -0.11 0.06 0.01 0.01 -0.03 0.00 0.01 0.00 38 1 0.03 0.00 -0.14 -0.00 0.01 0.01 0.00 0.01 -0.00 39 1 0.10 -0.32 -0.24 -0.02 0.06 0.04 -0.01 0.03 0.02 40 1 -0.09 -0.07 0.36 0.02 0.02 -0.08 0.01 0.01 -0.02 41 1 -0.03 0.08 0.08 0.00 -0.01 -0.01 -0.00 0.02 0.01 42 1 0.23 -0.02 -0.21 0.65 -0.09 -0.57 -0.00 0.04 -0.13 43 1 -0.12 0.05 0.19 0.18 0.12 0.02 -0.06 -0.11 -0.05 97 98 99 A A A Frequencies -- 1441.1850 1472.2251 1479.5426 Red. masses -- 4.7282 3.3954 1.3559 Frc consts -- 5.7861 4.3360 1.7487 IR Inten -- 8.3717 7.0090 38.6381 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 2 9 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 3 9 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 4 8 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 5 1 0.00 -0.02 -0.00 0.00 -0.03 0.00 0.00 0.01 -0.00 6 7 0.01 0.08 -0.21 0.00 -0.00 -0.00 0.00 0.02 -0.03 7 7 -0.01 0.10 0.19 -0.00 0.00 0.00 0.00 -0.02 -0.01 8 7 0.01 0.14 0.02 -0.00 -0.01 -0.00 -0.02 0.06 0.07 9 7 -0.00 0.00 0.01 -0.02 -0.04 0.06 -0.00 0.00 0.00 10 7 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 11 6 0.01 -0.20 -0.24 0.00 -0.00 -0.00 -0.00 0.00 0.00 12 6 -0.02 -0.12 0.29 -0.00 0.01 0.00 -0.00 -0.05 -0.01 13 6 0.01 -0.03 -0.01 0.00 -0.00 -0.01 -0.03 -0.04 -0.10 14 6 0.01 -0.01 0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.00 15 6 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.02 0.01 16 6 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.02 17 6 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.02 0.01 0.02 18 6 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.02 0.01 0.02 19 6 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.03 -0.01 -0.03 20 6 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 0.01 21 6 -0.00 -0.00 -0.00 -0.02 -0.02 0.05 -0.00 -0.00 0.00 22 6 0.00 0.00 -0.01 0.02 0.01 -0.06 0.00 0.00 -0.00 23 6 0.00 -0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.00 0.00 24 6 0.00 0.00 -0.00 0.02 0.08 -0.09 0.00 -0.01 -0.00 25 6 0.00 0.00 -0.00 -0.01 -0.11 0.07 -0.00 0.00 -0.00 26 6 0.00 -0.00 -0.00 -0.06 0.08 0.18 0.00 -0.00 -0.00 27 6 -0.00 -0.00 0.00 0.05 -0.03 -0.18 -0.00 0.00 0.00 28 6 -0.00 0.00 -0.00 0.00 -0.13 0.05 0.00 0.00 -0.00 29 6 0.00 -0.00 -0.00 -0.05 0.09 0.15 0.00 -0.00 -0.00 30 6 -0.00 -0.00 0.00 0.05 -0.05 -0.18 -0.00 0.00 0.01 31 6 -0.00 -0.00 0.00 -0.00 0.03 -0.01 -0.00 -0.00 0.00 32 1 0.01 0.38 0.06 0.00 0.01 -0.00 0.00 -0.06 -0.03 33 1 0.00 -0.46 -0.27 0.00 -0.00 -0.01 -0.01 -0.02 0.08 34 1 0.00 0.00 0.01 0.00 0.00 0.00 0.05 0.00 0.07 35 1 -0.00 -0.02 -0.01 -0.00 0.02 0.01 0.02 -0.00 0.01 36 1 -0.01 -0.01 0.02 0.03 -0.00 -0.10 0.00 -0.00 0.01 37 1 -0.00 0.00 0.00 0.01 -0.06 -0.04 0.00 -0.00 -0.01 38 1 -0.00 -0.00 0.00 0.09 0.20 -0.44 -0.00 -0.00 0.01 39 1 0.00 -0.00 -0.00 -0.06 0.37 0.10 0.00 -0.01 -0.01 40 1 -0.00 -0.00 0.00 0.08 0.20 -0.38 -0.00 -0.01 0.00 41 1 -0.00 -0.00 0.00 -0.07 0.39 0.13 0.00 -0.01 -0.01 42 1 0.02 0.04 -0.43 0.00 -0.01 0.07 0.46 -0.27 0.40 43 1 -0.20 -0.10 0.10 -0.00 0.04 0.04 0.20 0.57 0.37 100 101 102 A A A Frequencies -- 1502.2625 1506.9360 1514.1353 Red. masses -- 3.0043 4.2748 4.0265 Frc consts -- 3.9947 5.7195 5.4389 IR Inten -- 39.5839 337.7051 202.2360 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 2 9 0.00 0.00 0.00 0.01 0.01 0.01 -0.04 -0.04 -0.05 3 9 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.02 -0.01 4 8 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 5 1 0.00 -0.03 -0.00 0.01 -0.03 0.02 -0.00 0.00 -0.05 6 7 0.00 0.04 -0.06 0.00 0.01 -0.01 -0.00 -0.00 0.00 7 7 0.01 -0.08 -0.10 0.00 -0.01 -0.01 0.00 -0.00 -0.01 8 7 -0.01 0.21 0.20 -0.00 0.03 0.03 0.00 0.00 0.01 9 7 -0.00 -0.01 0.01 0.04 0.00 -0.13 0.00 0.01 -0.01 10 7 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 -0.00 -0.00 11 6 -0.00 0.08 0.09 -0.00 0.01 0.01 -0.00 0.01 0.01 12 6 0.00 -0.17 -0.07 0.00 -0.03 -0.01 0.00 -0.00 -0.01 13 6 0.02 -0.04 -0.01 -0.00 -0.01 -0.01 0.02 0.01 0.02 14 6 0.02 -0.02 -0.01 0.01 -0.02 -0.01 0.01 0.03 0.01 15 6 -0.00 0.01 -0.00 0.00 0.04 0.00 0.01 -0.11 0.02 16 6 0.01 -0.00 0.01 0.01 -0.02 0.01 -0.13 0.03 -0.17 17 6 -0.01 -0.00 -0.01 -0.02 0.00 -0.03 0.16 0.13 0.19 18 6 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.04 -0.06 0.05 19 6 0.01 0.00 0.02 0.03 -0.00 0.03 -0.17 0.02 -0.19 20 6 -0.01 -0.00 -0.01 -0.02 -0.01 -0.01 0.14 0.05 0.15 21 6 0.01 0.01 -0.02 -0.00 0.01 0.01 -0.01 -0.01 0.03 22 6 -0.01 -0.01 0.03 -0.01 0.02 0.04 0.01 0.00 -0.03 23 6 -0.00 0.01 0.01 0.04 -0.21 -0.14 0.00 -0.02 -0.02 24 6 0.01 0.00 -0.05 -0.09 0.20 0.29 -0.01 0.01 0.05 25 6 -0.00 -0.00 0.01 0.01 -0.04 -0.03 0.00 -0.00 -0.00 26 6 -0.00 -0.00 0.02 0.02 0.05 -0.08 0.00 0.00 -0.02 27 6 0.00 0.01 -0.00 0.01 -0.07 -0.02 0.00 -0.01 0.00 28 6 0.00 -0.01 -0.01 -0.03 -0.00 0.11 -0.00 0.01 0.01 29 6 -0.00 -0.00 0.01 0.00 0.09 -0.04 0.00 0.01 -0.01 30 6 -0.00 0.01 0.00 0.03 -0.12 -0.09 0.00 -0.01 -0.01 31 6 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 32 1 -0.01 -0.27 -0.09 -0.00 -0.04 -0.02 0.00 -0.01 0.00 33 1 -0.03 -0.00 0.31 -0.00 -0.01 0.04 -0.00 0.01 0.02 34 1 -0.02 -0.00 -0.03 -0.04 -0.02 -0.05 0.36 0.03 0.52 35 1 -0.01 -0.00 -0.01 -0.02 -0.02 -0.01 0.18 0.25 0.17 36 1 -0.02 0.01 0.06 0.00 0.01 0.00 0.04 0.00 -0.14 37 1 0.01 -0.03 -0.05 -0.11 0.16 0.41 -0.01 0.03 0.05 38 1 0.01 0.01 -0.05 -0.07 0.00 0.23 -0.01 -0.01 0.05 39 1 0.01 -0.02 -0.03 -0.09 0.27 0.25 -0.01 0.03 0.04 40 1 0.01 0.00 -0.04 -0.09 0.04 0.31 -0.01 -0.00 0.05 41 1 0.01 -0.02 -0.02 -0.09 0.32 0.24 -0.01 0.03 0.03 42 1 -0.05 0.10 -0.71 0.07 -0.02 -0.06 -0.23 0.11 -0.15 43 1 -0.19 -0.29 -0.09 -0.01 0.02 0.03 -0.10 -0.22 -0.13 103 104 105 A A A Frequencies -- 1563.2503 1581.6612 1584.3985 Red. masses -- 5.6889 3.6327 9.0268 Frc consts -- 8.1909 5.3543 13.3509 IR Inten -- 58.6920 2.2769 447.8222 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 2 9 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 3 9 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.00 4 8 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 5 1 0.01 -0.06 0.00 -0.00 0.02 -0.00 0.00 -0.02 0.03 6 7 0.00 -0.00 -0.02 -0.00 0.00 0.01 -0.00 0.00 -0.00 7 7 0.00 -0.02 -0.02 -0.00 0.01 0.01 -0.00 0.00 0.00 8 7 -0.00 0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 0.01 9 7 -0.00 0.07 0.02 -0.01 -0.02 0.04 0.00 0.04 -0.01 10 7 0.00 -0.00 -0.01 0.01 -0.01 -0.03 -0.00 0.00 0.01 11 6 -0.00 0.03 0.03 0.00 -0.01 -0.01 0.00 -0.01 -0.01 12 6 -0.00 -0.01 0.02 0.00 -0.00 -0.01 0.00 -0.00 0.00 13 6 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.01 -0.00 -0.01 14 6 0.06 -0.01 -0.08 -0.01 -0.00 0.01 0.02 -0.05 -0.08 15 6 -0.05 -0.07 -0.05 0.02 0.05 0.02 0.11 0.41 0.10 16 6 0.02 0.06 0.02 -0.00 -0.03 -0.00 -0.03 -0.21 -0.03 17 6 0.01 -0.13 0.01 -0.01 0.07 -0.01 -0.04 0.38 -0.07 18 6 -0.00 0.09 0.00 -0.00 -0.05 -0.01 -0.05 -0.31 -0.08 19 6 0.03 -0.03 0.04 -0.01 0.02 -0.01 0.03 0.11 0.03 20 6 -0.01 0.08 -0.03 0.00 -0.05 0.01 -0.01 -0.32 0.04 21 6 -0.12 -0.11 0.35 0.02 0.02 -0.07 -0.07 -0.04 0.18 22 6 0.11 0.09 -0.34 -0.02 -0.02 0.07 0.06 0.05 -0.17 23 6 -0.01 0.07 0.03 -0.01 0.07 0.05 -0.01 0.03 0.02 24 6 -0.01 -0.16 0.05 0.06 -0.07 -0.19 -0.02 -0.07 0.07 25 6 -0.02 0.03 0.06 -0.06 0.10 0.19 0.01 -0.04 -0.04 26 6 0.02 0.03 -0.09 0.02 0.05 -0.09 0.00 -0.00 -0.00 27 6 0.01 -0.08 -0.01 0.03 -0.11 -0.06 -0.01 0.01 0.03 28 6 -0.02 0.08 0.04 -0.05 0.03 0.16 0.01 0.02 -0.06 29 6 0.01 0.00 -0.04 0.03 0.06 -0.16 -0.01 -0.03 0.06 30 6 0.00 -0.03 -0.00 0.02 -0.13 -0.03 -0.01 0.05 0.01 31 6 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 32 1 -0.00 -0.07 -0.03 -0.00 0.03 0.01 0.00 0.01 -0.00 33 1 0.00 -0.03 -0.01 -0.00 0.02 0.02 -0.00 0.00 0.01 34 1 -0.06 0.07 -0.11 0.01 -0.04 0.02 0.02 -0.24 0.09 35 1 -0.06 -0.06 -0.07 0.02 0.03 0.04 0.06 0.19 0.24 36 1 0.18 -0.02 -0.54 -0.04 0.00 0.11 0.05 0.00 -0.19 37 1 0.01 0.04 -0.01 0.04 -0.08 -0.18 -0.01 0.03 0.02 38 1 -0.07 -0.02 0.29 -0.10 -0.01 0.41 0.01 -0.00 -0.05 39 1 -0.05 0.12 0.16 -0.10 0.29 0.26 0.02 -0.08 -0.05 40 1 -0.04 -0.03 0.18 -0.11 -0.02 0.43 0.03 -0.01 -0.13 41 1 -0.03 0.10 0.10 -0.10 0.26 0.29 0.03 -0.09 -0.10 42 1 -0.06 0.02 -0.05 0.02 -0.01 0.01 0.10 -0.03 0.02 43 1 -0.07 -0.05 0.02 0.02 0.02 -0.00 -0.01 0.06 0.06 106 107 108 A A A Frequencies -- 1597.1527 1640.1856 1676.2513 Red. masses -- 4.6704 7.1884 8.6659 Frc consts -- 7.0194 11.3937 14.3464 IR Inten -- 70.6387 0.8192 181.5226 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 2 9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 3 9 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 4 8 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 5 1 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 6 7 0.01 -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 -0.00 7 7 0.00 -0.12 -0.11 0.00 0.00 -0.00 0.00 -0.00 0.00 8 7 0.01 -0.02 -0.15 -0.00 0.00 0.00 0.00 -0.00 -0.01 9 7 -0.00 -0.00 0.00 -0.00 0.03 0.01 -0.00 0.00 0.00 10 7 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 11 6 -0.01 0.23 0.21 0.00 -0.00 -0.00 -0.00 0.00 0.00 12 6 -0.02 0.07 0.33 0.00 -0.00 -0.00 0.00 0.00 0.01 13 6 -0.00 -0.01 0.03 0.00 -0.00 -0.00 -0.01 0.00 -0.00 14 6 -0.01 0.00 0.01 0.00 -0.00 -0.01 -0.02 -0.01 0.02 15 6 0.00 0.01 0.00 0.00 0.01 0.00 0.13 0.04 0.14 16 6 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.25 0.04 -0.31 17 6 -0.00 0.02 -0.00 -0.00 0.00 -0.00 0.19 -0.11 0.24 18 6 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.17 -0.11 -0.19 19 6 -0.01 0.00 -0.01 0.00 0.00 0.00 0.30 -0.01 0.34 20 6 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.18 0.14 -0.22 21 6 0.01 0.01 -0.03 -0.01 -0.01 0.04 0.01 0.00 -0.03 22 6 -0.01 -0.01 0.02 0.02 0.00 -0.05 -0.00 0.00 0.01 23 6 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.00 0.01 0.01 24 6 0.00 0.00 -0.01 -0.01 -0.09 0.04 0.00 -0.01 -0.01 25 6 -0.00 0.01 0.01 0.01 0.37 -0.16 -0.00 0.00 0.01 26 6 -0.00 0.00 -0.00 -0.03 -0.19 0.17 0.00 -0.00 -0.01 27 6 0.00 -0.00 -0.00 -0.04 0.27 0.04 -0.00 0.01 0.01 28 6 -0.00 -0.00 0.01 0.01 -0.34 0.10 0.00 -0.00 -0.01 29 6 0.00 0.00 -0.01 0.02 0.16 -0.15 -0.00 0.00 0.01 30 6 0.00 -0.01 -0.00 0.03 -0.25 -0.02 0.00 -0.01 -0.01 31 6 0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.00 0.00 0.00 32 1 0.00 -0.55 -0.20 -0.00 0.00 0.00 0.00 -0.00 -0.00 33 1 0.01 -0.36 -0.44 -0.00 0.00 0.00 -0.00 -0.00 -0.01 34 1 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.27 0.04 0.37 35 1 0.01 0.00 0.01 -0.00 0.00 0.00 -0.04 0.27 -0.04 36 1 -0.01 -0.00 0.04 0.02 -0.00 -0.06 -0.01 -0.01 0.09 37 1 0.00 -0.01 -0.01 -0.00 0.06 0.04 0.00 -0.01 -0.01 38 1 -0.00 -0.00 0.01 0.09 -0.14 -0.32 -0.00 -0.01 0.01 39 1 -0.00 0.01 0.00 0.10 -0.18 -0.33 0.00 -0.01 -0.00 40 1 -0.00 0.00 0.01 -0.07 0.12 0.23 0.00 0.00 -0.01 41 1 -0.00 0.01 0.01 -0.07 0.08 0.25 -0.00 0.01 0.00 42 1 0.02 -0.02 0.05 -0.00 0.00 -0.00 0.06 -0.02 0.02 43 1 -0.02 0.05 0.11 -0.00 -0.00 0.00 -0.00 0.03 0.02 109 110 111 A A A Frequencies -- 1694.2777 2387.7473 3124.5018 Red. masses -- 6.0707 12.6787 1.0666 Frc consts -- 10.2673 42.5895 6.1353 IR Inten -- 18.6326 55.4589 5.3838 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 2 9 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 3 9 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 4 8 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 5 1 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 6 7 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 7 7 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 8 7 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 9 7 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 10 7 0.01 -0.01 -0.02 0.16 -0.20 -0.52 -0.00 -0.00 -0.00 11 6 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 12 6 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 13 6 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.05 -0.02 0.05 14 6 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 15 6 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 16 6 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 17 6 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 18 6 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 19 6 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 20 6 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 21 6 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 22 6 0.01 -0.00 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 23 6 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 24 6 -0.01 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 25 6 0.06 -0.06 -0.20 0.00 -0.00 -0.00 0.00 -0.00 -0.00 26 6 -0.08 0.02 0.31 -0.00 0.00 0.01 0.00 0.00 -0.00 27 6 0.08 -0.17 -0.23 0.00 -0.01 -0.01 -0.00 0.00 -0.00 28 6 -0.05 0.06 0.17 0.03 -0.04 -0.11 -0.00 -0.00 -0.00 29 6 0.08 -0.03 -0.30 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 30 6 -0.08 0.17 0.24 -0.00 0.00 0.01 -0.00 0.00 0.00 31 6 0.00 -0.00 -0.01 -0.22 0.28 0.72 -0.00 0.00 0.00 32 1 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 33 1 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 34 1 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 35 1 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 36 1 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 37 1 -0.00 0.01 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 38 1 0.08 0.13 -0.36 -0.00 0.00 0.00 0.00 -0.00 0.00 39 1 -0.07 0.32 0.12 0.00 0.01 -0.00 -0.00 -0.00 0.00 40 1 -0.07 -0.14 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 41 1 0.06 -0.33 -0.12 -0.00 -0.00 0.00 0.00 0.00 -0.00 42 1 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.09 -0.34 -0.06 43 1 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.51 0.58 -0.52 112 113 114 A A A Frequencies -- 3198.2746 3227.4935 3229.8695 Red. masses -- 1.0891 1.0999 1.0885 Frc consts -- 6.5637 6.7504 6.6906 IR Inten -- 43.9793 0.8461 7.3027 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 2 9 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 3 9 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 4 8 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 5 1 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 6 7 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 7 7 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 8 7 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 9 7 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 10 7 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 11 6 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 12 6 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 13 6 0.00 0.00 -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 14 6 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 15 6 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 16 6 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 17 6 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 18 6 -0.06 0.04 -0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 19 6 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 20 6 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 21 6 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 22 6 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 23 6 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 24 6 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 25 6 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 26 6 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.08 -0.01 27 6 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.02 28 6 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 29 6 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 30 6 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 31 6 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 32 1 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 33 1 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 34 1 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 35 1 0.65 -0.47 0.59 0.00 -0.00 0.00 -0.00 0.00 -0.00 36 1 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 37 1 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.05 0.03 38 1 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.13 0.90 0.11 39 1 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.24 0.29 40 1 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.04 0.00 41 1 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 42 1 -0.00 -0.00 -0.00 0.25 0.89 0.16 -0.00 -0.00 -0.00 43 1 0.00 -0.00 0.00 -0.19 0.21 -0.19 0.00 -0.00 0.00 115 116 117 A A A Frequencies -- 3244.4596 3251.5246 3260.2216 Red. masses -- 1.0900 1.0956 1.0907 Frc consts -- 6.7602 6.8246 6.8303 IR Inten -- 1.3878 4.5207 1.6084 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 2 9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 3 9 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 4 8 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 5 1 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 6 7 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 7 7 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 8 7 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 9 7 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 10 7 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 11 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 12 6 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 13 6 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 14 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 15 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.09 -0.00 17 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 18 6 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 21 6 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 22 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 23 6 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 24 6 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 25 6 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 26 6 -0.00 0.00 0.00 -0.01 0.03 0.01 0.00 -0.00 -0.00 27 6 -0.00 -0.00 0.00 0.01 0.05 -0.06 -0.00 -0.00 0.00 28 6 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 29 6 0.01 -0.08 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 30 6 0.00 0.03 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 31 6 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 32 1 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 33 1 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 34 1 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 1.00 0.02 35 1 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 36 1 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 37 1 0.00 0.00 -0.00 0.01 0.03 -0.02 0.00 0.00 -0.00 38 1 0.01 -0.04 -0.01 0.05 -0.37 -0.05 -0.00 0.00 0.00 39 1 0.00 0.01 -0.01 -0.12 -0.58 0.71 0.00 0.00 -0.00 40 1 -0.12 0.88 0.12 0.00 -0.03 -0.00 -0.00 0.00 0.00 41 1 -0.06 -0.27 0.33 -0.01 -0.03 0.04 0.00 0.00 -0.01 42 1 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 43 1 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 118 119 120 A A A Frequencies -- 3261.1561 3267.2732 3300.2184 Red. masses -- 1.0952 1.0879 1.0934 Frc consts -- 6.8624 6.8425 7.0163 IR Inten -- 1.2877 8.1020 6.7846 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 2 9 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 3 9 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 4 8 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 5 1 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 6 7 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 7 7 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 8 7 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 9 7 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 10 7 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 11 6 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 12 6 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 13 6 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 14 6 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 15 6 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 16 6 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 17 6 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 18 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 19 6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 20 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 21 6 -0.00 -0.00 -0.00 -0.00 -0.08 -0.01 -0.00 -0.00 -0.00 22 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 23 6 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.07 0.05 24 6 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 25 6 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 26 6 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 27 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 28 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 29 6 -0.01 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 30 6 0.01 0.05 -0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 31 6 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 32 1 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 33 1 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 34 1 -0.00 0.01 0.00 0.00 0.02 0.00 -0.00 -0.00 -0.00 35 1 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 36 1 0.00 0.01 0.00 0.01 0.99 0.11 0.00 0.01 0.00 37 1 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.17 0.80 -0.56 38 1 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.01 0.07 0.01 39 1 0.01 0.04 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.01 40 1 0.06 -0.43 -0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 41 1 -0.12 -0.56 0.69 0.00 0.00 -0.01 -0.00 -0.00 0.00 42 1 0.00 0.00 0.00 0.01 0.02 0.00 -0.00 -0.00 -0.00 43 1 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 121 122 123 A A A Frequencies -- 3300.7069 3310.1375 3784.5554 Red. masses -- 1.0968 1.0996 1.0659 Frc consts -- 7.0401 7.0988 8.9952 IR Inten -- 3.3327 0.5078 21.5682 Atom AN X Y Z X Y Z X Y Z 1 16 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 2 9 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 3 9 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 4 8 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.01 -0.00 5 1 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.98 0.19 0.02 6 7 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 7 7 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 8 7 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 9 7 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 10 7 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 11 6 0.01 0.04 -0.08 0.00 0.01 -0.02 0.00 0.00 0.00 12 6 0.00 0.01 -0.01 -0.01 -0.08 0.04 0.00 0.00 -0.00 13 6 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 14 6 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 15 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 16 6 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 17 6 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 18 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 19 6 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 20 6 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 21 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 22 6 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 23 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 24 6 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 25 6 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 26 6 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27 6 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 28 6 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 29 6 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 30 6 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 31 6 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 32 1 -0.06 -0.48 0.85 -0.01 -0.09 0.16 -0.00 0.00 -0.00 33 1 -0.01 -0.16 0.09 0.06 0.86 -0.46 -0.00 0.00 -0.00 34 1 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 35 1 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 36 1 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 37 1 0.00 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 38 1 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 39 1 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 40 1 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 41 1 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 42 1 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 43 1 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 16 and mass 31.97207 Atom 2 has atomic number 9 and mass 18.99840 Atom 3 has atomic number 9 and mass 18.99840 Atom 4 has atomic number 8 and mass 15.99491 Atom 5 has atomic number 1 and mass 1.00783 Atom 6 has atomic number 7 and mass 14.00307 Atom 7 has atomic number 7 and mass 14.00307 Atom 8 has atomic number 7 and mass 14.00307 Atom 9 has atomic number 7 and mass 14.00307 Atom 10 has atomic number 7 and mass 14.00307 Atom 11 has atomic number 6 and mass 12.00000 Atom 12 has atomic number 6 and mass 12.00000 Atom 13 has atomic number 6 and mass 12.00000 Atom 14 has atomic number 6 and mass 12.00000 Atom 15 has atomic number 6 and mass 12.00000 Atom 16 has atomic number 6 and mass 12.00000 Atom 17 has atomic number 6 and mass 12.00000 Atom 18 has atomic number 6 and mass 12.00000 Atom 19 has atomic number 6 and mass 12.00000 Atom 20 has atomic number 6 and mass 12.00000 Atom 21 has atomic number 6 and mass 12.00000 Atom 22 has atomic number 6 and mass 12.00000 Atom 23 has atomic number 6 and mass 12.00000 Atom 24 has atomic number 6 and mass 12.00000 Atom 25 has atomic number 6 and mass 12.00000 Atom 26 has atomic number 6 and mass 12.00000 Atom 27 has atomic number 6 and mass 12.00000 Atom 28 has atomic number 6 and mass 12.00000 Atom 29 has atomic number 6 and mass 12.00000 Atom 30 has atomic number 6 and mass 12.00000 Atom 31 has atomic number 6 and mass 12.00000 Atom 32 has atomic number 1 and mass 1.00783 Atom 33 has atomic number 1 and mass 1.00783 Atom 34 has atomic number 1 and mass 1.00783 Atom 35 has atomic number 1 and mass 1.00783 Atom 36 has atomic number 1 and mass 1.00783 Atom 37 has atomic number 1 and mass 1.00783 Atom 38 has atomic number 1 and mass 1.00783 Atom 39 has atomic number 1 and mass 1.00783 Atom 40 has atomic number 1 and mass 1.00783 Atom 41 has atomic number 1 and mass 1.00783 Atom 42 has atomic number 1 and mass 1.00783 Atom 43 has atomic number 1 and mass 1.00783 Molecular mass: 421.08089 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 5319.91831******************** X -0.20839 -0.60627 0.76747 Y 0.01550 0.78255 0.62240 Z 0.97792 -0.14160 0.15368 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.01628 0.00280 0.00267 Rotational constants (GHZ): 0.33924 0.05836 0.05565 Zero-point vibrational energy 805185.8 (Joules/Mol) 192.44402 (Kcal/Mol) Warning -- explicit consideration of 41 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 22.71 33.23 41.29 47.81 61.18 (Kelvin) 68.54 85.67 108.73 132.71 146.27 191.83 198.41 235.12 239.93 265.20 277.95 323.40 358.48 401.57 413.68 426.19 455.06 488.53 510.94 528.83 574.62 587.98 598.46 641.46 646.32 662.56 694.85 733.50 776.86 783.04 798.58 812.86 818.94 832.39 845.64 863.76 922.57 945.18 964.16 970.10 974.26 994.20 1006.60 1062.11 1080.06 1127.52 1131.13 1137.34 1174.79 1215.52 1227.30 1229.44 1253.42 1256.75 1269.68 1287.97 1305.12 1316.27 1349.36 1361.87 1403.68 1409.88 1443.23 1454.43 1495.48 1499.46 1510.09 1516.90 1591.45 1657.01 1696.69 1709.70 1741.52 1747.94 1752.88 1792.90 1797.97 1804.07 1840.33 1848.63 1878.07 1897.48 1921.49 1923.56 1943.22 1963.35 1977.69 1986.86 2002.64 2013.58 2064.86 2073.54 2118.20 2128.73 2161.42 2168.14 2178.50 2249.17 2275.66 2279.60 2297.95 2359.86 2411.75 2437.69 3435.44 4495.46 4601.60 4643.64 4647.06 4668.05 4678.22 4690.73 4692.08 4700.88 4748.28 4748.98 4762.55 5445.13 Zero-point correction= 0.306679 (Hartree/Particle) Thermal correction to Energy= 0.331553 Thermal correction to Enthalpy= 0.332498 Thermal correction to Gibbs Free Energy= 0.248368 Sum of electronic and zero-point Energies= -1756.471740 Sum of electronic and thermal Energies= -1756.446865 Sum of electronic and thermal Enthalpies= -1756.445921 Sum of electronic and thermal Free Energies= -1756.530050 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 208.053 95.152 177.065 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 44.003 Rotational 0.889 2.981 36.921 Vibrational 206.275 89.191 96.141 Vibration 1 0.593 1.986 7.104 Vibration 2 0.593 1.985 6.348 Vibration 3 0.593 1.984 5.917 Vibration 4 0.594 1.983 5.627 Vibration 5 0.595 1.980 5.138 Vibration 6 0.595 1.978 4.913 Vibration 7 0.597 1.974 4.472 Vibration 8 0.599 1.965 4.003 Vibration 9 0.602 1.955 3.612 Vibration 10 0.604 1.948 3.422 Vibration 11 0.613 1.920 2.897 Vibration 12 0.614 1.915 2.833 Vibration 13 0.623 1.887 2.510 Vibration 14 0.624 1.883 2.472 Vibration 15 0.631 1.861 2.284 Vibration 16 0.635 1.849 2.197 Vibration 17 0.649 1.803 1.920 Vibration 18 0.662 1.764 1.737 Vibration 19 0.679 1.712 1.539 Vibration 20 0.685 1.697 1.489 Vibration 21 0.690 1.681 1.438 Vibration 22 0.703 1.643 1.329 Vibration 23 0.719 1.596 1.214 Vibration 24 0.731 1.565 1.143 Vibration 25 0.740 1.539 1.090 Vibration 26 0.765 1.471 0.965 Vibration 27 0.773 1.451 0.931 Vibration 28 0.779 1.436 0.906 Vibration 29 0.805 1.370 0.808 Vibration 30 0.808 1.363 0.798 Vibration 31 0.818 1.338 0.765 Vibration 32 0.839 1.288 0.702 Vibration 33 0.865 1.228 0.634 Vibration 34 0.895 1.162 0.565 Vibration 35 0.899 1.152 0.556 Vibration 36 0.910 1.129 0.534 Vibration 37 0.921 1.107 0.514 Vibration 38 0.925 1.098 0.506 Vibration 39 0.935 1.078 0.488 Vibration 40 0.945 1.058 0.471 Vibration 41 0.958 1.031 0.449 Q Log10(Q) Ln(Q) Total Bot 0.573518-114 -114.241453 -263.050667 Total V=0 0.662215D+27 26.820999 61.757633 Vib (Bot) 0.645851-130 -130.189868 -299.773249 Vib (Bot) 1 0.131227D+02 1.118024 2.574345 Vib (Bot) 2 0.896649D+01 0.952622 2.193494 Vib (Bot) 3 0.721529D+01 0.858254 1.976202 Vib (Bot) 4 0.622989D+01 0.794480 1.829358 Vib (Bot) 5 0.486469D+01 0.687055 1.582003 Vib (Bot) 6 0.434052D+01 0.637542 1.467994 Vib (Bot) 7 0.346816D+01 0.540099 1.243625 Vib (Bot) 8 0.272696D+01 0.435679 1.003188 Vib (Bot) 9 0.222818D+01 0.347951 0.801187 Vib (Bot) 10 0.201803D+01 0.304928 0.702123 Vib (Bot) 11 0.152778D+01 0.184060 0.423813 Vib (Bot) 12 0.147529D+01 0.168877 0.388854 Vib (Bot) 13 0.123583D+01 0.091959 0.211743 Vib (Bot) 14 0.120975D+01 0.082696 0.190415 Vib (Bot) 15 0.108802D+01 0.036636 0.084357 Vib (Bot) 16 0.103479D+01 0.014853 0.034201 Vib (Bot) 17 0.878223D+00 -0.056395 -0.129855 Vib (Bot) 18 0.783641D+00 -0.105883 -0.243804 Vib (Bot) 19 0.689167D+00 -0.161675 -0.372272 Vib (Bot) 20 0.666007D+00 -0.176521 -0.406456 Vib (Bot) 21 0.643376D+00 -0.191535 -0.441026 Vib (Bot) 22 0.595657D+00 -0.225004 -0.518090 Vib (Bot) 23 0.547015D+00 -0.262000 -0.603278 Vib (Bot) 24 0.517802D+00 -0.285836 -0.658162 Vib (Bot) 25 0.496146D+00 -0.304391 -0.700886 Vib (Bot) 26 0.446486D+00 -0.350192 -0.806347 Vib (Bot) 27 0.433357D+00 -0.363154 -0.836194 Vib (Bot) 28 0.423444D+00 -0.373204 -0.859334 Vib (Bot) 29 0.385938D+00 -0.413483 -0.952079 Vib (Bot) 30 0.381992D+00 -0.417946 -0.962356 Vib (Bot) 31 0.369200D+00 -0.432739 -0.996418 Vib (Bot) 32 0.345431D+00 -0.461639 -1.062962 Vib (Bot) 33 0.319566D+00 -0.495439 -1.140791 Vib (Bot) 34 0.293441D+00 -0.532479 -1.226077 Vib (Bot) 35 0.289945D+00 -0.537685 -1.238066 Vib (Bot) 36 0.281369D+00 -0.550723 -1.268087 Vib (Bot) 37 0.273769D+00 -0.562616 -1.295472 Vib (Bot) 38 0.270610D+00 -0.567657 -1.307078 Vib (Bot) 39 0.263774D+00 -0.578768 -1.332661 Vib (Bot) 40 0.257250D+00 -0.589645 -1.357707 Vib (Bot) 41 0.248634D+00 -0.604440 -1.391775 Vib (V=0) 0.745735D+11 10.872585 25.035051 Vib (V=0) 1 0.136322D+02 1.134567 2.612437 Vib (V=0) 2 0.948042D+01 0.976828 2.249229 Vib (V=0) 3 0.773259D+01 0.888325 2.045444 Vib (V=0) 4 0.674992D+01 0.829298 1.909530 Vib (V=0) 5 0.539032D+01 0.731614 1.684604 Vib (V=0) 6 0.486922D+01 0.687460 1.582934 Vib (V=0) 7 0.400402D+01 0.602496 1.387299 Vib (V=0) 8 0.327242D+01 0.514869 1.185530 Vib (V=0) 9 0.278359D+01 0.444606 1.023743 Vib (V=0) 10 0.257905D+01 0.411460 0.947422 Vib (V=0) 11 0.210751D+01 0.323770 0.745509 Vib (V=0) 12 0.205772D+01 0.313385 0.721596 Vib (V=0) 13 0.183315D+01 0.263197 0.606033 Vib (V=0) 14 0.180901D+01 0.257440 0.592778 Vib (V=0) 15 0.169741D+01 0.229786 0.529101 Vib (V=0) 16 0.164926D+01 0.217289 0.500326 Vib (V=0) 17 0.151058D+01 0.179144 0.412495 Vib (V=0) 18 0.142957D+01 0.155204 0.357371 Vib (V=0) 19 0.135144D+01 0.130797 0.301171 Vib (V=0) 20 0.133281D+01 0.124767 0.287286 Vib (V=0) 21 0.131482D+01 0.118867 0.273700 Vib (V=0) 22 0.127769D+01 0.106427 0.245056 Vib (V=0) 23 0.124110D+01 0.093806 0.215996 Vib (V=0) 24 0.121980D+01 0.086290 0.198691 Vib (V=0) 25 0.120439D+01 0.080766 0.185970 Vib (V=0) 26 0.117034D+01 0.068310 0.157291 Vib (V=0) 27 0.116166D+01 0.065080 0.149853 Vib (V=0) 28 0.115521D+01 0.062662 0.144285 Vib (V=0) 29 0.113162D+01 0.053702 0.123653 Vib (V=0) 30 0.112922D+01 0.052779 0.121527 Vib (V=0) 31 0.112154D+01 0.049814 0.114700 Vib (V=0) 32 0.110772D+01 0.044430 0.102303 Vib (V=0) 33 0.109340D+01 0.038779 0.089291 Vib (V=0) 34 0.107975D+01 0.033322 0.076728 Vib (V=0) 35 0.107799D+01 0.032613 0.075095 Vib (V=0) 36 0.107373D+01 0.030896 0.071141 Vib (V=0) 37 0.107004D+01 0.029401 0.067699 Vib (V=0) 38 0.106853D+01 0.028788 0.066287 Vib (V=0) 39 0.106531D+01 0.027477 0.063267 Vib (V=0) 40 0.106230D+01 0.026246 0.060433 Vib (V=0) 41 0.105841D+01 0.024653 0.056765 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.339627D+09 8.531002 19.643358 Rotational 0.261464D+08 7.417413 17.079224 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 -0.000110722 0.000077980 0.000342475 2 9 0.000020342 0.000027277 0.000028293 3 9 0.000133429 -0.000133803 0.000166480 4 8 -0.003682052 -0.000016192 -0.000355825 5 1 0.003641637 0.000480535 0.000148101 6 7 -0.000015465 0.000179304 0.000109693 7 7 -0.000026298 -0.000206603 0.000406665 8 7 -0.000107046 0.000289088 -0.000324407 9 7 0.000006515 0.000004921 0.000048000 10 7 0.000001744 -0.000001249 -0.000006522 11 6 0.000087905 0.000343361 -0.000938105 12 6 -0.000012761 -0.000883900 0.000362842 13 6 0.000657644 0.000163587 0.000209585 14 6 0.000108242 -0.000731069 0.000187567 15 6 -0.000156825 0.000042133 -0.000101025 16 6 0.000017333 -0.000464562 -0.000120604 17 6 0.000128475 0.000116810 0.000155108 18 6 -0.000340240 0.000322796 -0.000322212 19 6 -0.000057632 -0.000175766 -0.000043876 20 6 0.000051200 -0.000100030 -0.000021559 21 6 -0.000024790 0.000341124 0.000075158 22 6 0.000040509 0.000120717 -0.000280348 23 6 -0.000086460 -0.000551452 0.000372580 24 6 0.000051941 -0.000030956 -0.000193436 25 6 -0.000072717 0.000134972 0.000190589 26 6 0.000040674 -0.000375393 0.000014245 27 6 -0.000022944 -0.000310930 0.000194370 28 6 0.000058899 -0.000071241 -0.000201708 29 6 -0.000019484 0.000308558 -0.000022974 30 6 -0.000006230 0.000295368 -0.000115829 31 6 -0.000007850 0.000009270 0.000024144 32 1 -0.000035831 -0.000183574 0.000451701 33 1 -0.000050439 0.000491768 -0.000059868 34 1 0.000069530 0.000434937 0.000108907 35 1 0.000292980 -0.000239314 0.000276884 36 1 0.000046386 -0.000230422 -0.000119706 37 1 0.000097719 0.000405263 -0.000354463 38 1 -0.000060271 0.000484468 0.000067028 39 1 0.000052455 0.000310149 -0.000328990 40 1 0.000052953 -0.000443143 -0.000039087 41 1 -0.000023673 -0.000331230 0.000221876 42 1 -0.000339919 -0.000129514 -0.000075776 43 1 -0.000398865 0.000225955 -0.000135972 ------------------------------------------------------------------- Cartesian Forces: Max 0.003682052 RMS 0.000523148 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Search for a 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. ITU= 0 Eigenvalues --- 0.00008 0.00010 0.00028 0.00035 0.00048 Eigenvalues --- 0.00088 0.00117 0.00154 0.00231 0.00306 Eigenvalues --- 0.00540 0.00702 0.00781 0.00984 0.01019 Eigenvalues --- 0.01256 0.01277 0.01333 0.01477 0.01503 Eigenvalues --- 0.01675 0.01808 0.02207 0.02376 0.02646 Eigenvalues --- 0.02901 0.02964 0.03326 0.03897 0.03992 Eigenvalues --- 0.04494 0.04692 0.05183 0.05461 0.05578 Eigenvalues --- 0.05657 0.05818 0.05940 0.06115 0.06484 Eigenvalues --- 0.06888 0.07250 0.07545 0.08003 0.08313 Eigenvalues --- 0.08625 0.09019 0.09298 0.09359 0.09857 Eigenvalues --- 0.10645 0.11072 0.11783 0.11969 0.12374 Eigenvalues --- 0.13046 0.13686 0.14052 0.15545 0.16094 Eigenvalues --- 0.16791 0.18267 0.18641 0.19166 0.19320 Eigenvalues --- 0.19562 0.20645 0.20985 0.22036 0.22427 Eigenvalues --- 0.23168 0.24829 0.25030 0.25468 0.26250 Eigenvalues --- 0.27711 0.28583 0.30032 0.31048 0.33772 Eigenvalues --- 0.35372 0.36120 0.41403 0.44891 0.46830 Eigenvalues --- 0.48328 0.53802 0.55822 0.57781 0.61011 Eigenvalues --- 0.61374 0.62695 0.70146 0.71063 0.77202 Eigenvalues --- 0.77655 0.78847 0.80337 0.85779 0.88048 Eigenvalues --- 0.88697 0.90365 0.92790 0.93755 0.97278 Eigenvalues --- 0.97983 0.98185 0.99367 1.01283 1.07261 Eigenvalues --- 1.07529 1.08813 1.11594 1.12761 1.14193 Eigenvalues --- 1.18830 1.21976 1.27528 1.30777 1.31243 Eigenvalues --- 1.31692 1.33131 2.75255 Angle between quadratic step and forces= 84.10 degrees. Linear search not attempted -- first point. B after Tr= -0.004493 0.002327 -0.001239 Rot= 1.000000 -0.000044 0.000021 0.000175 Ang= -0.02 deg. Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 4.21914 -0.00011 0.00000 -0.00186 -0.00345 4.21569 Y1 10.06807 0.00008 0.00000 -0.00576 -0.00621 10.06187 Z1 14.67208 0.00034 0.00000 0.00275 0.00257 14.67465 X2 -0.31642 0.00002 0.00000 -0.00225 -0.00200 -0.31841 Y2 13.88217 0.00003 0.00000 0.00927 0.01147 13.89363 Z2 2.73648 0.00003 0.00000 0.00722 0.00719 2.74367 X3 5.78372 0.00013 0.00000 0.00506 0.00686 5.79059 Y3 19.11396 -0.00013 0.00000 -0.00592 -0.00643 19.10753 Z3 9.13275 0.00017 0.00000 0.01275 0.01345 9.14619 X4 5.27814 -0.00368 0.00000 0.00742 0.00642 5.28456 Y4 11.14820 -0.00002 0.00000 -0.00395 -0.00432 11.14388 Z4 9.63615 -0.00036 0.00000 -0.00668 -0.00671 9.62944 X5 3.47556 0.00364 0.00000 0.01547 0.01436 3.48992 Y5 10.83860 0.00048 0.00000 -0.00949 -0.00923 10.82937 Z5 9.60803 0.00015 0.00000 0.00786 0.00773 9.61576 X6 9.05110 -0.00002 0.00000 -0.00744 -0.00791 9.04319 Y6 11.82080 0.00018 0.00000 0.00030 -0.00078 11.82001 Z6 2.79198 0.00011 0.00000 -0.00486 -0.00467 2.78731 X7 9.02049 -0.00003 0.00000 0.00115 0.00191 9.02240 Y7 15.58906 -0.00021 0.00000 -0.00000 -0.00126 15.58780 Z7 4.80514 0.00041 0.00000 -0.00544 -0.00492 4.80021 X8 8.90192 -0.00011 0.00000 -0.00191 -0.00190 8.90003 Y8 13.66617 0.00029 0.00000 0.00122 -0.00014 13.66603 Z8 6.48330 -0.00032 0.00000 -0.00603 -0.00569 6.47761 X9 3.64010 0.00001 0.00000 0.00500 0.00489 3.64499 Y9 14.54760 0.00000 0.00000 -0.00451 -0.00492 14.54267 Z9 16.58813 0.00005 0.00000 -0.00046 -0.00027 16.58787 X10 -0.32487 0.00000 0.00000 -0.00723 -0.00692 -0.33179 Y10 17.39702 -0.00000 0.00000 0.00764 0.00744 17.40446 Z10 30.06403 -0.00001 0.00000 -0.00886 -0.00858 30.05545 X11 9.11620 0.00009 0.00000 -0.00219 -0.00176 9.11444 Y11 14.38033 0.00034 0.00000 0.00013 -0.00097 14.37936 Z11 2.63341 -0.00094 0.00000 -0.00634 -0.00593 2.62749 X12 8.89390 -0.00001 0.00000 -0.00669 -0.00740 8.88650 Y12 11.44348 -0.00088 0.00000 0.00009 -0.00116 11.44232 Z12 5.24008 0.00036 0.00000 -0.00457 -0.00443 5.23565 X13 8.47175 0.00066 0.00000 0.00304 0.00312 8.47487 Y13 14.17365 0.00016 0.00000 0.00263 0.00118 14.17483 Z13 9.11452 0.00021 0.00000 -0.00538 -0.00500 9.10952 X14 5.66784 0.00011 0.00000 0.00576 0.00568 5.67351 Y14 13.78332 -0.00073 0.00000 -0.00660 -0.00713 13.77619 Z14 9.81070 0.00019 0.00000 0.00005 0.00027 9.81097 X15 3.95826 -0.00016 0.00000 0.00184 0.00235 3.96060 Y15 15.23717 0.00004 0.00000 -0.00203 -0.00179 15.23538 Z15 7.88310 -0.00010 0.00000 0.00528 0.00556 7.88866 X16 2.47597 0.00002 0.00000 0.00065 0.00075 2.47672 Y16 13.89149 -0.00046 0.00000 0.00105 0.00197 13.89345 Z16 6.16969 -0.00012 0.00000 0.00451 0.00460 6.17429 X17 1.10170 0.00013 0.00000 -0.00011 0.00054 1.10224 Y17 15.19681 0.00012 0.00000 0.00540 0.00696 15.20376 Z17 4.36837 0.00016 0.00000 0.00846 0.00861 4.37698 X18 1.03798 -0.00034 0.00000 0.00018 0.00175 1.03973 Y18 17.83491 0.00032 0.00000 0.00553 0.00711 17.84202 Z18 4.33113 -0.00032 0.00000 0.01305 0.01343 4.34456 X19 2.58911 -0.00006 0.00000 0.00236 0.00428 2.59339 Y19 19.06860 -0.00018 0.00000 0.00111 0.00200 19.07060 Z19 5.98805 -0.00004 0.00000 0.01400 0.01455 6.00260 X20 4.07333 0.00005 0.00000 0.00342 0.00485 4.07818 Y20 17.85594 -0.00010 0.00000 -0.00218 -0.00196 17.85398 Z20 7.69326 -0.00002 0.00000 0.01051 0.01102 7.70428 X21 5.00247 -0.00002 0.00000 0.00832 0.00847 5.01093 Y21 14.76934 0.00034 0.00000 -0.00766 -0.00817 14.76117 Z21 12.31587 0.00008 0.00000 0.00068 0.00095 12.31682 X22 4.27750 0.00004 0.00000 0.00434 0.00392 4.28142 Y22 13.41007 0.00012 0.00000 -0.00598 -0.00642 13.40365 Z22 14.43185 -0.00028 0.00000 0.00008 0.00020 14.43206 X23 3.32382 -0.00009 0.00000 -0.00413 -0.00575 3.31807 Y23 10.36713 -0.00055 0.00000 -0.00394 -0.00434 10.36279 Z23 17.73618 0.00037 0.00000 0.00153 0.00134 17.73752 X24 3.12361 0.00005 0.00000 0.00063 -0.00014 3.12347 Y24 12.88797 -0.00003 0.00000 -0.00307 -0.00346 12.88451 Z24 18.43871 -0.00019 0.00000 -0.00053 -0.00050 18.43821 X25 2.38945 -0.00007 0.00000 -0.00043 -0.00098 2.38847 Y25 13.81345 0.00013 0.00000 -0.00045 -0.00080 13.81264 Z25 20.94923 0.00019 0.00000 -0.00161 -0.00153 20.94770 X26 2.03052 0.00004 0.00000 0.01125 0.01004 2.04056 Y26 12.17159 -0.00038 0.00000 0.00232 0.00191 12.17350 Z26 22.98482 0.00001 0.00000 0.00237 0.00229 22.98711 X27 1.33238 -0.00002 0.00000 0.00941 0.00842 1.34080 Y27 13.08534 -0.00031 0.00000 0.00448 0.00410 13.08945 Z27 25.32969 0.00019 0.00000 0.00056 0.00053 25.33022 X28 0.98239 0.00006 0.00000 -0.00347 -0.00357 0.97882 Y28 15.67956 -0.00007 0.00000 0.00346 0.00319 15.68274 Z28 25.67809 -0.00020 0.00000 -0.00625 -0.00606 25.67202 X29 1.34399 -0.00002 0.00000 -0.01439 -0.01382 1.33017 Y29 17.33674 0.00031 0.00000 0.00073 0.00050 17.33724 Z29 23.65390 -0.00002 0.00000 -0.01018 -0.00984 23.64407 X30 2.04184 -0.00001 0.00000 -0.01268 -0.01234 2.02950 Y30 16.40540 0.00030 0.00000 -0.00143 -0.00169 16.40371 Z30 21.31586 -0.00012 0.00000 -0.00838 -0.00808 21.30778 X31 0.26090 -0.00001 0.00000 -0.00555 -0.00541 0.25549 Y31 16.62983 0.00001 0.00000 0.00583 0.00559 16.63541 Z31 28.09897 0.00002 0.00000 -0.00764 -0.00740 28.09158 X32 9.24998 -0.00004 0.00000 -0.00148 -0.00063 9.24935 Y32 15.38065 -0.00018 0.00000 -0.00018 -0.00116 15.37949 Z32 0.86495 0.00045 0.00000 -0.00493 -0.00442 0.86053 X33 8.77482 -0.00005 0.00000 -0.01187 -0.01325 8.76157 Y33 9.65178 0.00049 0.00000 0.00313 0.00184 9.65362 Z33 6.19782 -0.00006 0.00000 -0.00231 -0.00232 6.19550 X34 2.48314 0.00007 0.00000 0.00076 0.00016 2.48330 Y34 11.85239 0.00043 0.00000 0.00235 0.00327 11.85566 Z34 6.09654 0.00011 0.00000 0.00382 0.00373 6.10028 X35 -0.31553 0.00029 0.00000 -0.00060 0.00135 -0.31418 Y35 18.78425 -0.00024 0.00000 0.00712 0.00928 18.79352 Z35 3.11959 0.00028 0.00000 0.01744 0.01784 3.13743 X36 5.02785 0.00005 0.00000 0.01298 0.01383 5.04168 Y36 16.79678 -0.00023 0.00000 -0.00840 -0.00894 16.78783 Z36 12.55975 -0.00012 0.00000 0.00003 0.00048 12.56023 X37 2.96945 0.00010 0.00000 -0.00965 -0.01189 2.95755 Y37 8.71805 0.00041 0.00000 -0.00227 -0.00264 8.71540 Z37 18.87690 -0.00035 0.00000 -0.00037 -0.00071 18.87618 X38 2.31069 -0.00006 0.00000 0.02296 0.02105 2.33175 Y38 10.15979 0.00048 0.00000 0.00475 0.00426 10.16404 Z38 22.75374 0.00007 0.00000 0.00707 0.00682 22.76057 X39 1.05965 0.00005 0.00000 0.01828 0.01677 1.07642 Y39 11.80815 0.00031 0.00000 0.00862 0.00820 11.81635 Z39 26.90026 -0.00033 0.00000 0.00387 0.00372 26.90398 X40 1.07362 0.00005 0.00000 -0.02422 -0.02296 1.05066 Y40 19.34267 -0.00044 0.00000 -0.00128 -0.00143 19.34124 Z40 23.93017 -0.00004 0.00000 -0.01415 -0.01364 23.91653 X41 2.32789 -0.00002 0.00000 -0.02026 -0.01941 2.30848 Y41 17.66772 -0.00033 0.00000 -0.00653 -0.00675 17.66097 Z41 19.73669 0.00022 0.00000 -0.01252 -0.01211 19.72458 X42 9.02719 -0.00034 0.00000 -0.00861 -0.00786 9.01933 Y42 16.11487 -0.00013 0.00000 0.00589 0.00423 16.11910 Z42 9.46623 -0.00008 0.00000 -0.01017 -0.00960 9.45663 X43 9.59813 -0.00040 0.00000 0.00799 0.00758 9.60571 Y43 12.89593 0.00023 0.00000 0.00958 0.00764 12.90357 Z43 10.27224 -0.00014 0.00000 -0.00478 -0.00447 10.26776 Item Value Threshold Converged? Maximum Force 0.003682 0.000450 NO RMS Force 0.000523 0.000300 NO Maximum Displacement 0.022960 0.001800 NO RMS Displacement 0.007392 0.001200 NO Predicted change in Energy=-2.582619D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad ---------------------------------------------------------------------- Electric dipole moment (input orientation): (Debye = 10**-18 statcoulomb cm , SI units = C m) (au) (Debye) (10**-30 SI) Tot 0.210692D+01 0.535526D+01 0.178632D+02 x -0.649791D-02 -0.165160D-01 -0.550915D-01 y -0.197522D+01 -0.502052D+01 -0.167466D+02 z 0.733184D+00 0.186357D+01 0.621619D+01 Dipole polarizability, Alpha (input orientation). (esu units = cm**3 , SI units = C**2 m**2 J**-1) Alpha(0;0): (au) (10**-24 esu) (10**-40 SI) iso 0.389836D+03 0.577677D+02 0.642753D+02 aniso 0.516400D+03 0.765227D+02 0.851429D+02 xx 0.168009D+03 0.248963D+02 0.277009D+02 yx -0.309805D+02 -0.459084D+01 -0.510800D+01 yy 0.299949D+03 0.444478D+02 0.494548D+02 zx -0.219013D+02 -0.324544D+01 -0.361104D+01 zy -0.101112D+03 -0.149833D+02 -0.166712D+02 zz 0.701551D+03 0.103959D+03 0.115670D+03 ---------------------------------------------------------------------- Dipole orientation: 16 4.24276363 17.24957623 -4.34605162 9 -0.33774989 7.39704244 -12.06120649 9 5.77084996 15.20106176 -14.75895851 8 5.28391071 12.90203088 -7.11437731 1 3.48192126 12.77179999 -6.82835425 7 9.03429454 6.71163719 -10.13825843 7 9.00180546 9.91036221 -12.97033599 7 8.89254301 10.81472963 -10.58328738 7 3.66003409 20.60596434 -7.87702330 7 -0.26946697 34.23962033 -5.84665641 6 9.09341427 7.45354568 -12.59318266 6 8.88545064 8.87574662 -8.93213605 6 8.46940084 13.45900245 -10.14208676 6 5.66848977 13.98184768 -9.52524215 6 3.94985817 12.68433633 -11.55373075 6 2.46518087 10.61291114 -10.88383524 6 1.08257174 9.38138306 -12.73016408 6 1.01307161 10.26464803 -15.21613449 6 2.56665524 12.24399284 -15.80091000 6 4.05872975 13.41743231 -14.07522278 6 5.00873500 16.67498240 -9.57580590 6 4.29322018 18.18724271 -7.56292674 6 3.35626211 20.22814387 -3.55737735 6 3.15281241 21.76443540 -5.67556170 6 2.42441845 24.44166148 -5.66729600 6 2.07528407 25.77943082 -3.41859477 6 1.38242230 28.29720853 -3.45709374 6 1.02794252 29.52735493 -5.76683537 6 1.37974184 28.20561364 -8.02594061 6 2.07237703 25.68811515 -7.96857716 6 0.31189139 32.12915912 -5.81303860 1 9.21959304 6.14344990 -14.14680028 1 8.77317096 9.15037695 -6.91877302 1 2.47650606 9.83472636 -8.99767360 1 -0.34619466 9.46210972 -16.52355907 1 5.03052489 17.60910290 -11.39172935 1 3.00894322 20.72444408 -1.61332775 1 2.35906101 24.86209513 -1.61381803 1 1.11727650 29.32573523 -1.71235067 1 1.10592447 29.16324333 -9.80951218 1 2.35084501 24.64632009 -9.70241217 1 9.02175374 14.46307258 -11.84129366 1 9.60208277 14.09729789 -8.54483645 Electric dipole moment (dipole orientation): (Debye = 10**-18 statcoulomb cm , SI units = C m) (au) (Debye) (10**-30 SI) Tot 0.210692D+01 0.535526D+01 0.178632D+02 x 0.000000D+00 0.000000D+00 0.000000D+00 y 0.000000D+00 0.000000D+00 0.000000D+00 z 0.210692D+01 0.535526D+01 0.178632D+02 Dipole polarizability, Alpha (dipole orientation). (esu units = cm**3 , SI units = C**2 m**2 J**-1) Alpha(0;0): (au) (10**-24 esu) (10**-40 SI) iso 0.389836D+03 0.577677D+02 0.642753D+02 aniso 0.516400D+03 0.765227D+02 0.851429D+02 xx 0.168013D+03 0.248970D+02 0.277017D+02 yx -0.297743D+02 -0.441209D+01 -0.490911D+01 yy 0.587074D+03 0.869953D+02 0.967954D+02 zx 0.226282D+02 0.335316D+01 0.373089D+01 zy 0.207690D+03 0.307765D+02 0.342434D+02 zz 0.414421D+03 0.614108D+02 0.683288D+02 ---------------------------------------------------------------------- 1\1\GINC-JACOL-X399-AORUS-GAMING-7\Freq\RPW6B95D3\6-31G(d,p)\C21H13F2N 5O1S1\JACOL\26-Jul-2023\0\\# p PW6B95D3/6-31g(d,p) nosymm freq int=ult rafine\\gaussian input\\0,1\S,2.232672,5.327795,7.764129\F,-0.16744,7. 346127,1.448081\F,3.060614,10.11467,4.832842\O,2.793072,5.899374,5.099 229\H,1.839188,5.735541,5.084351\N,4.789637,6.255296,1.477453\N,4.7734 36,8.249377,2.542768\N,4.710695,7.231826,3.430816\N,1.92626,7.698256,8 .778063\N,-0.171916,9.206107,15.909198\C,4.824086,7.609741,1.393542\C, 4.706448,6.055631,2.77293\C,4.483058,7.500373,4.823196\C,2.99929,7.293 818,5.191599\C,2.094619,8.063164,4.171557\C,1.310225,7.351058,3.264859 \C,0.582996,8.041804,2.311644\C,0.549273,9.437828,2.291933\C,1.370096, 10.090671,3.168737\C,2.155514,9.448954,4.071097\C,2.647191,7.815596,6. 517276\C,2.263558,7.096303,7.637008\C,1.758891,5.486047,9.385583\C,1.6 52944,6.82002,9.757347\C,1.264445,7.309761,11.085853\C,1.074504,6.4409 28,12.163044\C,0.705065,6.924466,13.403894\C,0.519857,8.297265,13.5882 58\C,0.711207,9.174208,12.517107\C,1.080495,8.681363,11.279869\C,0.138 064,8.800125,14.869337\H,4.894879,8.139092,0.457714\H,4.643435,5.10750 2,3.279747\H,1.314023,6.272016,3.226152\H,-0.16697,9.940196,1.650816\H ,2.660625,8.888471,6.646331\H,1.571363,4.613392,9.989223\H,1.222767,5. 376327,12.040762\H,0.560742,6.248604,14.235004\H,0.568134,10.235698,12 .6633\H,1.231865,9.349355,10.444207\H,4.776982,8.527624,5.009312\H,5.0 79112,6.824234,5.435833\\Version=ES64L-G16RevA.03\HF=-1756.7784187\RMS D=4.172e-09\RMSF=5.231e-04\ZeroPoint=0.3066791\Thermal=0.3315535\Dipol e=-0.0064979,-1.9752243,0.7331842\DipoleDeriv=0.0899786,0.1256557,-0.1 243532,0.0575878,-0.1832073,-0.1080921,0.010828,-0.4417798,0.564249,-0 .5509501,-0.1634224,-0.7728804,-0.437644,-0.1633639,-1.0252183,-0.5064 436,-0.1180324,-1.1502406,-0.5191048,-0.5185312,0.2817715,-0.2412943,- 0.5451687,0.1749895,-0.239362,-0.5011196,0.2579961,-0.3684847,-0.07318 69,0.2385025,-0.0203181,-0.5381278,-0.2521059,0.1329895,-0.2148681,-0. 237593,0.1055347,0.0252208,0.0110824,0.0151102,0.2285715,0.0844869,-0. 0005802,0.1082123,0.1254422,-0.2958142,0.0160057,0.0750402,-0.0530508, -0.3733398,0.0172955,0.2500577,-0.0927857,-0.7122562,-0.238834,-0.0497 213,0.1216304,0.1314765,-0.4492885,-0.3638903,-0.0682791,0.0121952,-0. 0424088,-0.226345,0.0291698,0.0127186,0.0778538,-0.0929368,-0.0438041, 0.2947156,-0.1911391,-0.7242606,-0.2145165,0.0907504,-0.0131298,0.0604 938,-0.3346002,-0.7143403,0.0731866,-0.3876131,0.0116289,-0.3323476,0. 0060648,0.0789592,0.0156946,-0.2900466,-0.1162533,0.0410599,-0.0371221 ,-0.5704396,0.0408777,0.0160858,-0.029189,0.1364513,0.3499221,-0.17035 91,0.0094806,-0.1489846,0.3567338,0.0711773,0.0053932,-0.0482501,-0.22 25857,0.3173272,0.3452935,-0.2210972,0.1846079,0.5891398,0.4684168,-0. 1472567,-0.1409375,0.037366,0.0652384,0.08239,-0.3299613,0.1238331,0.7 138217,0.2425563,0.1779775,-0.6750621,-0.1324921,0.5638507,0.0181765,0 .0930693,0.1410139,-0.3837498,-0.0204012,-0.1905837,0.8580826,0.033439 1,-0.1089079,0.2974262,0.0599843,-0.1831642,0.6387173,-0.1897956,-0.08 91808,-0.0913271,0.0093261,0.064267,-0.1030027,-0.0307203,-0.0628883,- 0.4908543,0.5135242,0.342741,0.4323642,0.5213366,0.2159404,1.2010813,0 .5660884,0.2434046,1.2094231,0.0212621,-0.0924011,0.1127419,-0.3986609 ,0.6134188,-1.6138809,0.0824499,-0.2046221,0.2988516,-0.2073043,-0.324 7734,0.3947007,0.4310087,-1.4925309,2.6495501,0.1080241,-0.286709,0.38 40039,0.5616485,0.9810284,-0.9365819,0.0787902,1.0335129,-1.4962479,0. 1371876,0.9102687,-1.1729882,-0.1502162,0.0354714,0.0499427,0.000356,0 .0199562,-0.2871565,-0.2785511,-0.0515024,0.7267902,-0.0058392,0.00900 47,0.1193714,-0.1430503,0.6461977,-0.0238286,0.1119241,0.0301491,-0.32 89102,-0.1296848,-0.2125339,0.3405525,0.0648637,0.2616248,-0.8131267,- 0.0923337,0.7186829,-1.4645809,0.1477131,-0.0277263,-0.2168398,-0.0960 74,-0.5242824,1.9987886,-0.134687,0.126073,0.7445567,0.0406443,-0.0014 131,-0.093136,-0.0027538,0.0707557,0.1097843,-0.0309119,0.0260917,0.38 64907,-0.1121155,-0.0464065,0.0670075,-0.0194826,0.0933337,-0.0854171, 0.018896,0.0883837,-0.3834277,-0.0719719,0.023607,-0.0519935,-0.003500 5,0.0025128,0.0056208,-0.0322883,-0.132126,0.1662014,0.0417591,0.00640 83,0.0806507,0.0152534,0.117523,-0.1570281,0.0406099,-0.0515751,-0.198 5209,-0.0672281,-0.0555268,-0.0276113,-0.0170636,0.1093499,0.0426642,- 0.0314484,0.1321548,0.0091985,-0.1031067,0.0445014,0.0465016,0.0305465 ,-0.1581442,-0.1473881,0.0179419,-0.1433099,-0.2166444,0.1719947,-0.01 94704,-0.1206275,-0.0300194,0.0769808,0.1931273,-0.0756246,0.1049776,0 .5240836,0.1237151,-0.0010663,-0.0219859,-0.0053507,0.0438134,0.050762 3,0.0223502,0.0366238,0.0210243,0.1482114,-0.0207553,-0.030376,-0.0229 631,0.0648996,0.0561161,-0.013602,0.0537397,0.0536951,0.1457206,0.0284 ,-0.0051744,-0.01313,0.0071007,-0.0478619,-0.0276582,0.0244057,0.09995 26,0.0749546,0.0251355,-0.0134151,0.0389576,0.0699887,0.074531,-0.1109 856,0.069818,-0.1137847,0.1191204,-0.0116347,-0.0091555,0.0361177,0.01 47765,0.0701965,0.0174621,0.022356,0.0189146,0.1470304,-0.0269317,0.04 11269,-0.0125281,0.1177028,0.0100589,0.0280653,0.0389984,0.081598,0.10 03392,0.0356952,-0.0036252,0.0277362,-0.0556607,-0.0639196,0.0116355,- 0.0645742,0.137167,0.1153371,-0.0037385,0.0305524,-0.0044869,0.0388425 ,0.0516455,0.0260146,0.0512433,-0.0189529,0.113999,0.0178117,0.0226253 ,0.0206078,-0.0152437,-0.0425866,0.0163604,-0.0121007,0.0436959,0.1130 395,-0.0052202,-0.0251902,-0.0087267,0.0581894,0.1247861,0.0079396,0.0 438844,0.1073161,0.1061212,0.0124764,-0.0133008,-0.0212392,0.0206616,- 0.015888,0.033208,0.0187336,0.0028314,-0.0206151,0.0268764,0.0482169,0 .0660413,0.0385904,0.0326252,0.0130053,0.016165,-0.0639106\Polar=168.0 085626,-30.9805309,299.9485728,-21.9013245,-101.1123773,701.5507942\Qu adrupole=25.5889028,-23.8441803,-1.7447226,-4.5912784,18.3616167,-31.2 770566\PG=C01 [X(C21H13F2N5O1S1)]\NImag=0\\0.06475510,-0.01145726,0.25 775166,-0.07854139,0.03875987,0.31607343,-0.00013854,-0.00004929,0.000 53802,0.15647920,-0.00032063,0.00028465,0.00083233,0.10632754,0.162580 43,-0.00020557,0.00002323,0.00076948,0.15568715,0.12141006,0.20577515, 0.00025304,-0.00046423,-0.00114059,-0.00356093,-0.00185869,-0.00101963 ,0.18325405,0.00011647,0.00008212,-0.00058090,-0.00127453,-0.00058765, -0.00114688,0.10604248,0.15402861,0.00056912,0.00030198,-0.00155671,-0 .00056968,-0.00014445,-0.00122950,0.13410493,0.07870063,0.13979653,-0. 00246049,0.00037948,0.00024269,-0.00021766,0.00008042,0.00008214,0.001 18112,0.00014957,0.00027075,0.60512334,-0.00031753,-0.00124183,0.00291 342,0.00054625,0.00079290,0.00072271,0.00076714,0.00085491,0.00083000, 0.09964618,0.37424968,0.00308198,0.00045671,-0.00725028,0.00007855,0.0 0094120,0.00047784,-0.00067522,-0.00052565,-0.00037356,0.01010939,0.02 771868,0.08223275,-0.00011095,-0.00038443,-0.00125915,-0.00007416,-0.0 0030750,-0.00016743,0.00000169,-0.00010029,0.00000603,-0.49273375,-0.0 8986442,-0.00825616,0.49770059,0.00062264,0.00108014,-0.00029698,-0.00 045922,-0.00021322,-0.00042545,0.00038631,0.00028757,0.00020791,-0.038 95389,-0.05344912,-0.00388030,0.08697461,0.07100451,-0.00202502,0.0010 4043,-0.00292316,0.00003393,-0.00064046,-0.00007578,0.00002393,-0.0000 8002,0.00013948,-0.00679266,-0.00588884,-0.00302476,0.01043298,0.00398 622,0.01115338,-0.00000545,0.00000852,-0.00011465,0.00009410,0.0002577 1,0.00023123,0.00016073,0.00019800,0.00013951,-0.00032853,0.00028494,0 .00052148,0.00001540,-0.00003434,-0.00002955,0.10557773,-0.00003468,0. 00011843,0.00005094,0.00011067,-0.00003967,-0.00005482,0.00105738,0.00 073798,0.00082612,0.00016220,0.00075289,-0.00031904,-0.00001056,0.0000 2080,0.00003458,0.00905354,0.50489291,-0.00004255,-0.00025349,0.000162 23,0.00052313,0.00081777,0.00088953,0.00023432,-0.00037278,-0.00024249 ,0.00074421,0.00092927,0.00081471,0.00010302,0.00006204,-0.00029924,-0 .03133730,-0.00534106,0.61896757,0.00002098,0.00001599,-0.00019391,-0. 00018308,-0.00009360,-0.00011712,0.00007798,-0.00060419,-0.00077542,-0 .00004723,-0.00003850,0.00028132,0.00002686,0.00010095,0.00001820,0.03 308615,0.00217462,0.00273843,0.10835852,-0.00008829,-0.00016307,0.0001 5545,0.00042734,0.00050725,0.00053624,0.00009507,0.00026758,0.00047624 ,0.00003742,0.00114301,0.00100504,0.00005993,-0.00003745,-0.00014118,- 0.00305621,-0.07223355,0.00292208,0.00236174,0.53262647,-0.00001461,0. 00015005,0.00000149,-0.00002027,-0.00016814,-0.00018986,0.00076784,0.0 0079070,0.00069170,0.00078813,-0.00021399,-0.00123548,0.00006655,-0.00 001410,0.00006889,-0.00053276,-0.09725218,0.00289058,-0.02926193,0.082 25387,0.57687309,-0.00005079,0.00004832,-0.00015097,-0.00018296,-0.000 32647,-0.00034847,0.00109723,0.00028726,0.00045599,0.00226822,0.001047 16,-0.00067525,0.00026813,0.00029066,-0.00037475,0.02242148,0.00401403 ,0.00242626,-0.06681832,-0.00555850,0.01580712,0.15971109,0.00010360,- 0.00007677,0.00005295,-0.00001006,0.00017013,0.00016204,-0.00022364,-0 .00053392,-0.00013983,0.00004065,0.00041481,0.00017310,-0.00001009,0.0 0001836,-0.00002696,0.00511410,-0.00692386,-0.07931148,-0.00382238,-0. 20558097,0.10970459,-0.00204285,0.65753456,-0.00011363,-0.00044909,0.0 0019132,0.00064496,0.00101885,0.00108729,-0.00027391,-0.00003992,-0.00 038949,-0.00256091,-0.00115774,0.00110550,-0.00041063,-0.00019114,0.00 059803,0.00683393,0.01471771,-0.09892409,0.00786643,0.04761218,-0.1554 6031,-0.07783881,0.08055501,0.82329821,0.01023187,0.01120665,0.0123956 1,-0.00003637,-0.00007964,-0.00007973,-0.00014832,0.00011662,0.0002064 5,0.00103283,0.00054825,0.00039409,-0.00027319,0.00038912,0.00017365,- 0.00001734,0.00009380,-0.00014782,0.00010721,-0.00016244,0.00022065,0. 00036478,-0.00014161,-0.00047342,0.13208459,0.00002414,-0.05538493,0.0 0206931,-0.00032584,-0.00075668,-0.00054440,0.00118994,0.00070943,0.00 110620,0.00050620,0.00029912,-0.00057518,0.00013363,-0.00014909,0.0000 7883,0.00005210,-0.00008131,0.00008225,0.00011280,0.00003957,-0.000131 52,-0.00018450,0.00009640,0.00020384,0.00244314,0.44960825,0.01274966, -0.04486018,-0.02700504,0.00055351,0.00056288,0.00063111,0.00004634,-0 .00061670,-0.00152645,-0.00081604,0.00150511,-0.00244671,0.00044738,-0 .00067218,0.00152028,0.00000080,0.00012437,-0.00017561,-0.00011470,0.0 0013425,-0.00016676,0.00059799,0.00010935,-0.00003553,-0.14559689,-0.0 1986516,0.58757798,-0.00001385,-0.00000542,0.00006403,0.00004748,0.000 06778,0.00006439,-0.00004020,-0.00003289,-0.00004312,-0.00002205,0.000 02226,0.00001354,-0.00000751,-0.00001227,-0.00000966,-0.00000350,0.000 00319,0.00002049,-0.00000865,0.00001627,-0.00000058,-0.00000302,0.0000 0071,0.00002169,0.00000106,0.00011877,-0.00011093,0.11010037,0.0000300 7,-0.00000452,-0.00008677,-0.00004798,-0.00007599,-0.00007160,0.000076 95,0.00006126,0.00007444,0.00003831,-0.00001314,-0.00001809,0.00000464 ,0.00001082,0.00001384,0.00000722,0.00000059,-0.00002407,0.00001547,-0 .00001559,0.00000211,0.00001029,-0.00000115,-0.00002603,0.00000187,-0. 00015826,0.00008082,-0.11844537,0.17242990,0.00007612,0.00001831,-0.00 022083,-0.00012762,-0.00019543,-0.00018585,0.00016425,0.00012189,0.000 15502,0.00009337,-0.00005847,-0.00004968,0.00001209,0.00003670,0.00003 492,0.00001949,-0.00000671,-0.00006650,0.00003890,-0.00005194,0.000006 31,0.00002752,-0.00000560,-0.00007436,-0.00004595,-0.00038956,0.000326 25,-0.30331024,0.39825721,1.03692484,0.00000997,0.00001533,0.00004813, 0.00005379,0.00007034,0.00016534,-0.00014266,-0.00005333,-0.00006877,0 .00015097,-0.00002854,-0.00019122,0.00001643,0.00002244,-0.00002714,-0 .08123858,-0.00620650,0.00235062,-0.08049621,0.00567661,0.01165459,0.0 1140255,-0.00346575,0.00783575,0.00000717,-0.00002168,-0.00003126,0.00 000120,-0.00000241,-0.00000613,0.16318811,0.00000041,-0.00017368,0.000 00394,0.00004008,0.00013779,0.00017758,-0.00031432,-0.00046965,-0.0004 4941,-0.00026234,0.00050315,0.00090786,0.00003923,0.00012694,-0.000019 11,-0.00534344,-0.29888471,0.01147710,0.00757341,-0.17792275,-0.146651 59,-0.00618429,-0.01801640,-0.01260334,-0.00017247,0.00010869,-0.00000 966,0.00000377,-0.00000833,-0.00001685,0.01932782,0.67359039,0.0000262 9,-0.00007811,-0.00008302,-0.00021555,0.00005153,-0.00008642,-0.000840 24,-0.00055768,-0.00056323,-0.00006987,-0.00000103,0.00064924,0.000048 87,0.00000646,-0.00010783,0.00246389,0.01160640,-0.10787852,0.01283139 ,-0.11802992,-0.34038238,0.00633118,0.03776086,-0.13283413,-0.00006035 ,0.00014949,-0.00020925,-0.00000788,0.00000895,0.00002188,-0.04678124, -0.10212506,0.90825616,0.00001153,0.00005306,0.00006161,0.00004681,-0. 00005775,-0.00002353,0.00000263,-0.00006158,0.00001283,-0.00070869,0.0 0064694,0.00151510,0.00001498,-0.00000762,-0.00022817,-0.07887207,-0.0 0498470,0.02295255,0.01755639,-0.00030109,0.00233630,-0.06563438,-0.00 441999,0.00467430,0.00009549,-0.00006381,-0.00002432,0.00000261,-0.000 00425,-0.00001078,0.01072397,-0.00673397,0.00349065,0.14824534,0.00002 493,0.00031002,-0.00019708,-0.00042851,-0.00059787,-0.00069772,0.00011 233,0.00060428,0.00038934,0.00034181,-0.00204398,-0.00077664,0.0000932 7,-0.00016441,-0.00002675,-0.00369350,-0.11360638,0.04656199,-0.006750 64,-0.10127265,0.03914729,0.00211809,-0.29257182,-0.08997732,0.0002988 8,-0.00014024,-0.00017831,-0.00001736,0.00001929,0.00006012,-0.0036382 1,-0.04344337,0.03524761,0.02877542,0.84778625,-0.00001348,0.00028903, -0.00019696,-0.00045281,-0.00080455,-0.00090645,0.00045829,0.00046444, 0.00061342,0.00076030,-0.00015092,-0.00168611,-0.00006371,0.00015376,0 .00044483,0.02127642,0.05065503,-0.41349789,0.00087601,-0.01957197,-0. 03216031,0.00987218,-0.08680728,-0.14610776,0.00017090,-0.00007045,0.0 0007849,-0.00001735,0.00002096,0.00005740,0.00513054,0.11652332,-0.028 22245,-0.04497099,-0.15382272,0.75759758,0.00003174,-0.00098659,0.0004 8074,0.00042212,0.00077208,0.00067299,-0.00422248,0.00138537,-0.001365 52,-0.01782209,-0.01300882,0.00174968,0.00016557,-0.00086649,0.0007132 7,0.00572163,-0.00223183,-0.00099299,-0.00938225,-0.00109806,-0.001293 18,-0.05846743,0.00244965,0.02105973,-0.00116960,0.00048969,0.00141492 ,0.00001084,-0.00002345,-0.00006621,0.00448161,0.00151559,0.00084872,- 0.00621561,0.00310980,-0.00183643,0.45710018,-0.00016442,-0.00038937,- 0.00021221,-0.00007129,0.00040363,0.00049103,-0.00172125,-0.00172560,- 0.00301031,-0.04840034,-0.02520509,0.00602519,-0.00280679,-0.00775122, 0.00145944,0.00028912,-0.00710947,-0.00506557,-0.00203468,0.01335067,0 .02674161,0.00443074,-0.11973586,-0.03600297,-0.00058382,0.00009226,-0 .00007807,-0.00000123,-0.00000248,-0.00000134,-0.00109925,-0.00574899, 0.00763861,0.00330811,0.00913649,-0.02741500,-0.00363862,0.68126305,0. 00031319,0.00098966,-0.00011197,-0.00040916,-0.00076538,-0.00119196,-0 .00113402,0.00118634,0.00145756,-0.00157392,-0.00052773,0.00061747,-0. 00109504,-0.00114368,0.00034025,0.00006921,-0.00376541,0.00973498,0.00 138015,0.00182906,-0.03472381,0.02230056,-0.02072842,-0.23027703,-0.00 019075,0.00014774,-0.00324323,-0.00002818,0.00003290,0.00008989,0.0004 6756,0.00808708,0.00095239,0.00024147,-0.01246070,-0.01833335,0.059935 25,-0.02513110,0.53495035,-0.00049219,-0.00155748,0.00175908,-0.000466 27,-0.00052028,-0.00139005,-0.00279117,0.00172656,0.00467569,-0.094835 97,0.00256559,0.00130168,-0.00708999,-0.04525325,-0.00391959,0.0001472 5,-0.00207473,0.00016886,-0.00118452,0.00060585,-0.00360465,-0.0096091 0,0.00571359,0.02514477,0.00625834,-0.00197376,0.00884935,0.00005803,- 0.00007865,-0.00019310,0.00007749,0.00167530,0.00039219,-0.00108981,-0 .00204389,-0.00242436,-0.13897566,0.00173885,0.01280556,0.42868515,-0. 00128941,-0.00248412,0.00358532,-0.00126676,-0.00120589,-0.00261697,0. 00031026,0.00444860,0.00089007,-0.03865248,-0.21524280,-0.02023037,0.0 0032006,-0.01397624,0.00058051,-0.00135399,0.00040588,-0.00202507,0.00 009999,-0.00202980,0.00260738,0.00897011,0.00101354,-0.00607070,-0.002 11873,-0.00249194,-0.00027013,-0.00000811,0.00000050,0.00002595,0.0004 2796,-0.00168609,-0.00103469,0.00150863,0.00286472,0.00004276,-0.02180 211,-0.06983788,0.00490682,0.02109295,0.48845317,0.00062644,-0.0043121 6,0.00069942,-0.00112697,0.00085075,0.00084592,0.00107106,-0.00247052, -0.00603345,-0.00535143,-0.01931127,-0.06056147,0.00155099,0.00017046, -0.00427073,-0.00042556,0.00401779,-0.00450340,0.00205659,-0.00217863, 0.00379075,0.03673307,-0.00149536,-0.02952513,-0.00388587,0.00246469,0 .01619070,0.00004400,-0.00005715,-0.00014078,-0.00051287,-0.00440519,- 0.00387498,0.00196772,0.00411441,0.00472378,0.00444633,-0.00624586,-0. 05569529,-0.03938356,0.05992367,0.44478604,0.00009565,0.00146728,-0.00 142055,0.00488802,-0.00011846,-0.00400244,-0.00981292,-0.03785737,-0.0 0826710,0.00266481,0.00098667,-0.00183472,0.00143011,-0.00157989,0.003 20080,-0.00015600,0.00097524,-0.00151090,-0.00244826,-0.00018807,0.002 51338,0.00050851,-0.00000515,-0.00424189,0.00100601,0.00045090,-0.0055 3439,-0.00007933,0.00010304,0.00024880,-0.00026050,-0.00136588,-0.0011 3427,0.00068979,0.00128484,0.00163783,-0.03079843,0.01687120,-0.020967 87,-0.07915049,0.01322823,-0.01247829,0.35046642,0.00063525,-0.0031782 2,-0.00094040,0.00080963,-0.00423006,0.00807635,-0.01013963,-0.0334970 1,-0.01491939,0.01608503,-0.04000617,0.02107805,0.00183898,0.00026256, 0.00038716,-0.00003755,0.00043623,-0.00022744,-0.00027884,0.00061646,0 .00003635,0.00074094,-0.00069814,0.00086830,-0.00090477,0.00157510,0.0 0622677,-0.00001657,0.00002501,0.00005745,0.00002752,0.00000079,-0.000 43719,-0.00008703,-0.00033879,0.00075209,0.00482044,-0.00140054,0.0015 0505,0.00533146,-0.07462298,-0.02012666,0.07823283,0.63845906,-0.00104 020,-0.00025512,-0.00119535,-0.00382240,0.00062441,0.00251028,-0.01076 829,-0.02864722,0.00405970,0.00151656,0.00353284,-0.00081608,0.0010918 9,-0.00040603,0.00249180,-0.00054054,-0.00003189,-0.00067887,0.0015684 8,-0.00063383,0.00020739,0.00404135,-0.00132325,-0.00156521,0.00204532 ,0.00078881,-0.00172837,-0.00006000,0.00007569,0.00018044,0.00017177,- 0.00011337,-0.00019212,0.00053681,0.00053139,0.00101442,-0.00717416,0. 00521584,-0.00071629,-0.04602572,0.01249404,-0.04962022,0.21002480,0.0 5671456,0.35312715,0.00014237,0.00090043,0.00031622,-0.01602676,0.0069 7306,-0.02933560,0.00193385,0.00104663,-0.00700284,-0.00209245,-0.0022 8456,-0.00244135,-0.00067148,0.00014911,0.00057126,-0.00009758,0.00022 930,-0.00012137,0.00021538,0.00005833,-0.00029614,-0.00135000,-0.00003 108,0.00006534,0.00053223,-0.00029900,-0.00219397,0.00000891,-0.000005 46,-0.00001617,0.00026425,-0.00005535,-0.00030277,-0.00030094,0.000066 67,0.00011179,-0.00051929,-0.00057334,0.00106713,-0.00205793,-0.005019 22,-0.01968505,-0.14759707,-0.04851269,-0.10067063,0.34360418,-0.00003 955,0.00089519,0.00025779,-0.01675183,0.01348250,-0.02211569,-0.000092 69,-0.00421128,0.00083833,-0.00012940,-0.00120685,0.00021344,0.0003161 5,0.00061598,0.00230375,-0.00000967,-0.00001666,-0.00015991,-0.0000034 1,-0.00053392,0.00021087,0.00034203,0.00036580,0.00013578,0.00007390,- 0.00058034,-0.00125955,0.00000967,-0.00001283,-0.00002914,-0.00016052, -0.00002415,0.00011862,-0.00013379,0.00035083,0.00015497,0.00120940,-0 .00113889,0.00117076,0.01027211,0.01239445,0.01080076,-0.08719129,-0.1 7511476,-0.09535880,0.00332569,0.76047217,-0.00001431,-0.00010967,0.00 035662,-0.02647103,0.00686867,-0.03045597,-0.00406553,0.00384024,0.000 39304,-0.00379113,-0.00351242,-0.00306079,-0.00023928,0.00007574,0.000 66731,0.00008081,-0.00007779,0.00021720,0.00034791,-0.00007748,-0.0002 6957,0.00007158,0.00032120,0.00064646,0.00001051,-0.00021329,0.0005426 3,0.00002792,-0.00003409,-0.00008895,0.00027412,0.00005666,0.00040176, -0.00027486,0.00006756,-0.00039815,0.00153625,-0.00162303,0.00013100,- 0.00926511,0.00104292,-0.02299985,-0.11177009,-0.05898308,-0.16989206, 0.28569355,-0.00351592,0.46557620,-0.00031645,-0.00045913,-0.00034742, -0.14234344,-0.08070915,-0.11605526,0.00208912,0.00119351,0.00316570,0 .00233429,0.00000143,0.00194512,-0.00068663,0.00136025,-0.00167098,-0. 00000031,-0.00038151,0.00002230,0.00061853,-0.00037906,-0.00030204,0.0 0048873,0.00001569,-0.00017283,-0.00026109,0.00015172,0.00163462,-0.00 001565,0.00000827,0.00003338,0.00004110,0.00037544,0.00096474,-0.00010 318,0.00009799,0.00005043,0.00047793,0.00156701,-0.00113659,-0.0033428 2,-0.00380387,0.00365335,-0.03066321,-0.01162979,-0.03730155,-0.135525 42,0.08682879,-0.10626804,0.36988225,0.00076550,0.00035726,-0.00084535 ,-0.07785894,-0.14670533,-0.09014150,-0.00103804,-0.00051658,-0.006625 13,0.00017931,-0.00104490,0.00073281,0.00108499,-0.00027960,0.00024025 ,-0.00034449,0.00014940,-0.00112769,0.00010500,-0.00052662,0.00007370, -0.00032900,-0.00021153,-0.00095175,0.00054033,0.00073047,-0.00243793, -0.00008181,0.00009278,0.00023729,-0.00002110,-0.00006071,-0.00046295, 0.00013860,0.00065107,0.00107930,-0.00097398,-0.00235156,0.00258200,0. 00709752,-0.00037056,-0.00866172,0.01470986,0.05807321,0.02517588,0.03 889958,-0.18690529,0.06435639,-0.00046202,0.68556254,0.00026772,0.0005 8910,-0.00069774,-0.11738427,-0.09140753,-0.17609085,0.00047279,-0.000 57695,0.00170320,0.00090278,-0.00032761,0.00134236,0.00004023,0.000761 75,-0.00069158,-0.00012742,0.00003574,-0.00069639,-0.00000676,-0.00053 627,0.00039918,0.00069164,-0.00009364,-0.00108009,0.00035978,0.0002793 9,-0.00187783,-0.00006215,0.00006751,0.00018126,-0.00053878,-0.0001310 5,0.00027569,-0.00024528,0.00072990,0.00080936,-0.00152598,0.00050201, -0.00055202,-0.00113264,-0.00255735,0.00186728,-0.02902830,-0.02908779 ,-0.03587076,-0.10661389,0.11772028,-0.19934509,0.28215961,-0.01922535 ,0.48087246,-0.00013388,-0.00047293,-0.00011449,-0.00236866,-0.0343434 1,-0.00898694,0.00556005,0.00302166,-0.00070420,0.00027581,0.00033782, -0.00098433,-0.00040919,0.00004199,0.00036308,0.00001474,-0.00021439,0 .00012445,0.00020215,-0.00016624,-0.00000438,0.00021701,0.00016634,-0. 00020763,-0.00022613,0.00021672,0.00073326,-0.00000268,0.00000419,0.00 001090,0.00013778,0.00006802,0.00031264,-0.00005330,-0.00020165,-0.000 26545,0.00024016,0.00126051,-0.00135193,-0.00413548,-0.00114250,0.0051 3373,-0.00281526,-0.00769464,-0.01166128,0.01577655,0.01210596,0.00851 217,-0.08201916,0.05542637,-0.02380587,0.42688764,-0.00090970,0.000257 40,0.00154841,-0.00949655,-0.02841673,-0.01021807,-0.00053718,-0.00187 203,0.00962399,0.00151220,0.00070494,0.00358830,-0.00112503,0.00099305 ,-0.00235941,0.00015370,-0.00074291,0.00122788,0.00015308,0.00015113,- 0.00025588,-0.00015052,0.00049763,0.00143831,-0.00037980,-0.00170358,0 .00250010,0.00013072,-0.00016537,-0.00038962,0.00005190,0.00081825,0.0 0074468,-0.00023211,-0.00087491,-0.00095420,0.00204999,0.00165473,-0.0 0157338,-0.00524803,-0.00321317,-0.00063617,-0.01661482,-0.04318876,-0 .02265580,0.04330867,-0.03085652,0.04818932,-0.00827495,-0.30654762,-0 .00367417,-0.03092266,0.61708972,-0.00003850,-0.00017808,-0.00045494,- 0.00780930,-0.03592127,-0.00121784,-0.00365574,0.00245679,0.00272912,- 0.00038710,0.00051770,-0.00172748,-0.00013248,-0.00011123,0.00064355,- 0.00004243,0.00015015,0.00000116,-0.00010326,0.00008905,0.00008070,0.0 0042452,-0.00037415,-0.00037294,0.00008136,0.00046251,-0.00061401,-0.0 0002936,0.00003780,0.00008767,-0.00009343,-0.00000692,-0.00016369,0.00 020621,0.00003400,0.00015606,-0.00041777,0.00018132,-0.00070006,-0.000 96200,-0.00070419,0.00234194,-0.00670534,-0.01854582,-0.00810563,0.009 34929,0.01623378,0.01580173,-0.02432407,0.04901734,-0.08158651,0.31927 538,0.00080185,0.44076018,-0.00003881,-0.00058349,-0.00073637,0.004574 02,0.00450397,-0.00205617,-0.03869622,0.00352444,-0.03647858,-0.000661 45,-0.00005674,-0.00064427,0.00057534,-0.00042773,0.00028531,-0.000055 52,0.00043626,-0.00018002,0.00027523,0.00010827,0.00012482,0.00039124, -0.00003909,-0.00059243,-0.00015271,0.00073838,0.00100086,-0.00003162, 0.00005099,0.00011411,-0.00013786,-0.00035929,-0.00026887,0.00016270,0 .00037709,0.00036539,-0.00145413,-0.00091754,0.00105136,0.00113062,0.0 0122136,-0.00189207,0.01392728,0.04419241,0.00452111,-0.02430965,0.003 10710,-0.02914832,0.01006381,-0.05927583,0.01206274,-0.17243381,-0.069 92756,-0.14714683,0.36328340,0.00082515,-0.00069094,-0.00334462,0.0010 5439,-0.00255360,-0.00047894,-0.00431605,0.01842322,-0.01508526,0.0000 9019,-0.00052882,-0.00560668,0.00090660,-0.00063315,0.00330614,-0.0001 6957,0.00151441,-0.00203681,-0.00088130,-0.00008367,0.00086033,0.00163 446,-0.00130291,-0.00255584,0.00041513,0.00335874,-0.00428545,-0.00023 228,0.00030336,0.00069805,0.00003097,-0.00178216,-0.00125242,0.0004049 6,0.00155193,0.00178301,-0.00407381,0.00039440,-0.00129558,0.00045420, -0.00326404,0.01957458,0.00555012,-0.01493748,0.00343897,0.00469916,0. 00179414,0.00311654,-0.01772418,-0.02677907,-0.02282570,-0.09215310,-0 .12938060,-0.10401454,0.01541303,0.28753582,0.00044442,-0.00045833,-0. 00066029,-0.00279411,0.00272912,0.00201031,-0.03372262,0.00150554,-0.0 3100711,-0.00062459,0.00002570,-0.00155925,0.00045715,-0.00047824,0.00 075115,-0.00003451,-0.00010972,-0.00015924,0.00059456,-0.00027132,-0.0 0012931,-0.00036439,0.00073459,-0.00065751,0.00000795,0.00084146,0.000 01864,-0.00004552,0.00006102,0.00013451,0.00011540,-0.00007373,0.00005 344,-0.00003355,-0.00015955,-0.00017423,-0.00144827,-0.00048910,0.0005 6485,-0.00004492,0.00251416,0.00121133,0.00690422,0.06280864,0.0143958 7,-0.03257777,0.00329344,-0.03721636,0.00672140,-0.07129557,0.01630647 ,-0.13848882,-0.08197864,-0.19508489,0.33555311,0.00045080,0.43637575, -0.00027515,0.00054857,0.00262204,0.00110729,-0.00083100,0.00074391,-0 .13743012,-0.07738409,-0.08775188,-0.00196233,0.00242850,-0.00072198,- 0.00044975,-0.00015541,-0.00077020,-0.00013538,-0.00157989,0.00010135, -0.00089056,0.00007961,-0.00104962,-0.00195131,0.00113753,0.00098635,0 .00010698,-0.00223485,0.00076898,0.00009976,-0.00016299,-0.00035675,0. 00030078,0.00048065,0.00146858,-0.00013162,-0.00073233,-0.00097870,0.0 0449218,0.00380448,0.00086822,0.00315080,0.01693835,-0.00791917,-0.071 50751,-0.04335656,-0.01254051,0.01089055,-0.01893742,0.01392998,-0.003 52601,0.01620198,-0.01092433,-0.02613123,-0.00766687,-0.02007240,-0.14 601014,0.08819348,-0.12723682,0.37590349,-0.00071860,0.00025672,0.0025 3289,-0.00070717,0.00178167,-0.00248641,-0.08957479,-0.12588709,-0.057 58397,0.00028460,-0.00002250,0.00462068,-0.00002374,-0.00023380,-0.002 36782,0.00011728,-0.00174159,0.00158711,0.00085474,0.00006342,-0.00136 479,-0.00140443,0.00067507,0.00102131,-0.00035792,-0.00244191,0.002977 81,0.00014596,-0.00020791,-0.00046793,-0.00012583,0.00119871,0.0014683 8,0.00014382,-0.00153458,-0.00202130,0.00211507,0.00374147,-0.00077994 ,-0.00397696,-0.01586060,0.00505923,0.02059046,-0.31063000,0.04306845, -0.04672332,-0.03064351,-0.05361794,0.01388047,-0.04979919,0.03363188, 0.00658552,0.04314279,0.01093183,0.06691458,-0.13732321,0.08926302,0.0 2246253,0.62041385,-0.00063838,0.00028335,0.00278209,-0.00154809,-0.00 333218,-0.00046951,-0.08600466,-0.05966996,-0.10943413,-0.00224069,0.0 0280786,0.00134191,-0.00083535,-0.00008182,-0.00170873,-0.00001457,-0. 00110307,0.00072418,0.00054351,-0.00023113,-0.00110660,-0.00098027,0.0 0014074,0.00189451,-0.00040701,-0.00250767,0.00261872,0.00012556,-0.00 018341,-0.00040812,0.00001027,0.00077023,0.00073357,-0.00015149,-0.000 41480,-0.00091797,0.00437548,0.00300517,0.00007349,-0.00403302,0.01756 611,-0.00764418,-0.01803326,-0.00897831,-0.07517632,0.01814739,-0.0163 4109,0.02212842,-0.00903072,0.03141101,-0.01453541,-0.02531369,-0.0189 3229,-0.03294832,-0.12724268,0.11264514,-0.19688456,0.26661235,-0.0602 3819,0.41835006,0.00046583,-0.00500771,-0.00227617,-0.00055365,0.00061 453,0.00036682,0.00115242,-0.00111443,-0.00105053,0.00394663,-0.004966 28,-0.00346939,0.00078981,-0.00024340,-0.00167230,0.00018579,-0.000466 94,0.00128987,-0.00042603,0.00081548,-0.00065859,-0.00593287,0.0000058 7,0.00383731,-0.01013403,-0.00287773,0.02481117,0.00000785,-0.00000632 ,-0.00001777,0.00006139,0.00078001,0.00072921,-0.00010833,-0.00132536, -0.00106723,-0.00664624,0.00630165,0.02850816,-0.07513645,0.01988609,0 .04258943,0.00384343,-0.01390093,-0.00042401,-0.00387773,0.00274863,-0 .00458426,0.00419975,-0.00427736,-0.00019791,0.00216583,0.00218520,-0. 00024231,0.00031635,0.00351688,-0.00041969,-0.00319476,0.00385197,-0.0 0098549,0.18553358,-0.00846679,-0.02716326,0.02201134,-0.00008853,-0.0 0059546,-0.00100747,-0.00216668,-0.00005822,0.00141190,0.00624363,-0.0 4455811,-0.03965141,0.00213910,0.00056788,-0.00160331,0.00012804,-0.00 069681,0.00133752,0.00001556,0.00067287,-0.00123209,-0.00327632,0.0018 5855,0.00331402,-0.00130299,0.01653269,0.01020502,0.00004850,-0.000062 98,-0.00015676,-0.00002013,0.00104547,0.00091626,-0.00032757,-0.001900 68,-0.00101179,0.00630212,0.00457786,0.00270686,-0.00023665,-0.1040920 3,-0.04417666,-0.00256307,0.00760768,0.00227559,0.00447422,-0.00086054 ,0.00150306,-0.00231563,0.00342679,0.00196726,-0.00262355,-0.00225510, 0.00111491,0.00066188,-0.00210847,-0.00101830,0.00306401,-0.00068286,0 .00466768,0.03774393,0.67533251,-0.00169077,0.02086626,0.00589664,0.00 093530,-0.00046251,0.00044168,0.00205438,0.00177122,-0.00538136,0.0008 4850,-0.00792361,-0.00298939,-0.00044816,-0.00001780,0.00167832,-0.000 06400,-0.00060426,0.00137432,-0.00025767,0.00098152,-0.00093581,0.0011 9259,0.00108929,0.00373398,0.03042596,0.00995843,-0.09468909,-0.000087 37,0.00011045,0.00028994,-0.00006701,0.00104043,0.00023272,-0.00021858 ,-0.00195573,-0.00159720,0.01757753,0.00001373,-0.02249810,0.05916381, -0.06358926,-0.19087753,-0.01386743,0.02069306,-0.03585598,-0.00497851 ,-0.00461410,0.00108247,0.00184140,-0.00363454,-0.00313193,0.00213338, 0.00117095,0.00050668,0.00295558,-0.00178182,0.00147210,-0.00045265,0. 00239987,0.00166415,-0.16055248,-0.02509893,0.60624762,-0.03741133,0.0 0625925,0.00096954,0.00032744,-0.00033397,0.00014869,0.00110148,-0.000 46005,-0.00073212,-0.00224325,0.00109948,-0.00235436,-0.00022771,-0.00 032937,-0.00023360,-0.00002556,0.00006345,0.00000445,-0.00013087,0.000 00164,-0.00002216,-0.00033827,0.00001046,-0.00003904,-0.07702703,0.028 26911,0.04817705,-0.00003433,0.00003540,0.00011763,0.00003434,-0.00006 880,-0.00002649,0.00005819,0.00007704,0.00004397,0.00016033,0.00012368 ,0.00065740,0.00684886,-0.00818508,0.01493355,-0.00382847,0.00800279,- 0.00054250,-0.00261961,-0.00223384,0.00061302,0.00138965,-0.00154772,- 0.00171801,0.00126537,0.00040075,0.00023446,0.00067979,0.00039824,0.00 005544,-0.00049758,0.00009476,-0.00019452,-0.06863700,-0.04047082,0.06 299211,0.17267077,-0.00299331,-0.10310837,0.01591947,-0.00021467,-0.00 094624,-0.00059822,0.00184675,-0.00004458,0.00217883,-0.00166117,-0.00 359178,0.00389297,-0.00009816,0.00135960,-0.00254078,0.00001482,-0.000 10921,-0.00013440,0.00014356,-0.00030526,0.00014477,0.00127639,0.00009 164,-0.00056810,0.04166084,-0.14093497,-0.13795698,0.00005450,-0.00008 143,-0.00015600,-0.00004943,-0.00004698,-0.00015335,-0.00003753,0.0003 7829,-0.00002299,0.00051582,-0.00062076,-0.00349941,0.00816136,0.01473 845,0.00098020,-0.00091887,0.00391475,0.00010142,-0.00197527,-0.001126 58,-0.00032775,0.00074056,-0.00005193,-0.00031707,0.00057664,-0.001431 08,0.00056339,0.00179059,0.00286225,0.00112902,-0.00352928,-0.00231303 ,-0.00265988,-0.04492124,-0.17592152,0.10742247,0.02478550,0.44851393, 0.00033527,-0.01718021,-0.04141505,-0.00033016,0.00028537,-0.00021233, -0.00080856,-0.00004437,0.00188520,0.00078320,0.00431911,0.00343726,-0 .00077323,-0.00076148,-0.00087079,-0.00004260,0.00044111,-0.00059597,0 .00012953,-0.00039271,0.00080619,0.00054465,-0.00073352,-0.00127988,0. 05087672,-0.09631301,-0.23624937,0.00012789,-0.00012934,-0.00040394,0. 00004824,-0.00063796,-0.00015165,0.00026000,0.00092833,0.00084186,-0.0 0580907,-0.00103548,0.00310863,0.00300298,0.01130895,-0.04173199,0.007 13066,-0.01030536,-0.00015840,0.00265907,0.00258997,-0.00044172,-0.002 07814,0.00188064,0.00182420,-0.00115133,-0.00086194,0.00007306,-0.0019 1936,0.00105783,-0.00099368,0.00052889,-0.00141093,-0.00104059,0.07043 606,0.11384569,-0.22692215,-0.17063209,-0.05780462,0.67194954,-0.04712 825,0.00183618,0.05000951,0.00040437,0.00080666,0.00061882,-0.00074262 ,-0.00046565,-0.00088492,0.00177796,0.00164438,-0.00206723,0.00037106, -0.00087052,0.00208474,-0.00000733,0.00010722,0.00001629,-0.00012216,0 .00017417,-0.00003873,-0.00009377,-0.00008099,0.00016161,0.01555250,-0 .00017643,0.00009477,-0.00002951,0.00001194,0.00002510,0.00000284,-0.0 0002054,-0.00006811,0.00000655,-0.00014454,0.00004355,0.00023472,0.000 36463,-0.00014413,0.00018054,-0.00163503,0.00078599,-0.00110425,-0.000 12645,-0.00048272,-0.00000671,0.00015895,0.00030381,0.00020234,-0.0011 9545,-0.00057307,0.00008063,0.00190979,-0.00035733,-0.00050375,-0.0029 4144,-0.00075716,0.00147830,0.00204363,0.00184959,0.00027446,0.0020635 8,-0.00167930,0.00111405,-0.01244591,0.01105677,0.12582172,0.00559404, -0.05369886,-0.02073742,-0.00064105,-0.00092819,-0.00087276,0.00086676 ,0.00071682,0.00159471,0.00091869,0.00031806,0.00060834,-0.00000751,0. 00006717,-0.00027472,0.00005993,-0.00004435,-0.00020062,0.00021148,-0. 00024497,0.00011639,0.00017566,-0.00007207,-0.00033637,-0.02099869,-0. 07478364,0.07350445,-0.00003003,0.00004736,0.00010352,-0.00002598,-0.0 0007822,0.00009467,-0.00002075,0.00031491,0.00019519,-0.00087720,-0.00 017140,0.00062284,-0.00222289,0.00223315,-0.00572868,0.00289047,-0.001 47266,0.00094045,0.00052668,0.00028024,-0.00042717,-0.00043700,0.00166 115,0.00116701,-0.00018067,-0.00232736,0.00051879,0.00025844,0.0042035 1,0.00065851,-0.00215095,-0.00308889,-0.00293892,-0.00140091,-0.013850 90,0.00837949,0.00267540,-0.01477450,-0.00466034,0.03158171,0.72890911 ,0.05113425,-0.00687734,-0.20616148,-0.00138074,-0.00259743,-0.0021083 8,0.00276748,0.00177454,0.00303202,0.00106890,-0.00490033,0.00370163,- 0.00029663,0.00136452,-0.00249492,0.00011655,-0.00035684,-0.00006310,0 .00047807,-0.00051068,0.00012821,0.00037477,0.00002406,-0.00036190,-0. 00063088,0.00270831,0.01444358,0.00008033,-0.00009390,-0.00022608,-0.0 0005738,0.00005746,0.00026697,-0.00009366,0.00057777,-0.00004632,-0.00 102746,-0.00041228,0.00032535,-0.00340972,0.00547369,-0.00461665,0.004 44551,0.00032504,0.00309840,-0.00019028,-0.00066076,-0.00102914,-0.000 25904,0.00324149,0.00187638,0.00015655,-0.00581736,0.00154141,0.001712 32,0.01058080,0.00220195,-0.00577893,-0.00741473,-0.00688997,-0.000189 06,-0.00704729,0.00609132,0.01150445,0.04205560,-0.03407478,-0.1207700 2,-0.09511030,0.50104496,0.00680215,0.00293167,0.01130460,-0.00012078, -0.00013440,-0.00013273,0.00008784,0.00001464,0.00010347,-0.00040895,- 0.00117598,0.00025577,-0.00000890,0.00006093,-0.00052901,0.00001442,-0 .00006596,0.00002572,0.00000653,0.00001775,-0.00010196,-0.00002540,0.0 0009486,0.00010238,-0.07703057,-0.03036459,0.03961677,0.00018290,0.000 06675,0.00017994,-0.00001016,0.00008810,0.00003354,-0.00004242,-0.0000 6285,-0.00004519,0.00048276,0.00001567,-0.00019430,-0.00137685,0.00122 407,0.00179514,0.00021733,0.00005047,-0.00023479,0.00010397,0.00002182 ,0.00001078,-0.00005749,0.00016226,0.00014647,0.00008279,-0.00033112,0 .00015479,-0.00012917,0.00081869,-0.00006441,-0.00017505,-0.00056949,- 0.00020073,0.00591514,0.00206884,-0.00276279,-0.00498870,-0.00166513,0 .03062782,-0.06560617,0.02618527,0.01583020,0.20272893,0.01732110,-0.0 1742460,-0.05886881,0.00164192,0.00260687,0.00232977,-0.00230461,-0.00 196903,-0.00334503,-0.00086049,0.00451142,-0.00305667,0.00025977,-0.00 139680,0.00219519,-0.00013344,0.00022101,0.00036105,-0.00053582,0.0006 5473,-0.00028965,-0.00037125,0.00012322,0.00078491,-0.02532288,-0.1993 1983,0.09528943,-0.00003985,0.00010054,0.00015077,0.00005162,0.0001419 0,-0.00026353,0.00006596,-0.00082052,-0.00029230,0.00201126,0.00050080 ,-0.00168223,0.00535394,-0.00501217,0.01041364,-0.00671959,0.00305676, -0.00333336,-0.00093668,-0.00026288,0.00121062,0.00090814,-0.00420593, -0.00281157,0.00032750,0.00635433,-0.00151847,-0.00095970,-0.01134496, -0.00186068,0.00534976,0.00790948,0.00716904,0.00669830,0.01468172,-0. 03104078,-0.01941131,-0.01131182,0.05867390,0.01165128,-0.30243765,-0. 04439456,-0.01601517,0.64833846,0.01009070,-0.00612646,-0.02873111,0.0 0014823,0.00036913,0.00028399,-0.00039038,-0.00012332,0.00009069,0.000 70170,0.00152539,-0.00097968,0.00010689,-0.00021857,0.00035430,-0.0000 2548,0.00004536,0.00008781,-0.00005380,0.00009689,0.00003913,-0.000046 46,-0.00005246,0.00012420,0.04030526,0.11214545,-0.20843632,0.00021507 ,-0.00018733,-0.00048726,0.00000976,-0.00000080,-0.00002582,0.00002047 ,-0.00008308,-0.00001530,-0.00021100,0.00010097,0.00020159,-0.00092805 ,0.00041815,-0.00338936,0.00069148,-0.00157013,-0.00019166,0.00060548, 0.00042656,0.00010700,-0.00048093,0.00002941,0.00008983,-0.00019456,0. 00041290,-0.00010227,-0.00065835,-0.00068001,-0.00040431,0.00066459,0. 00036683,0.00030473,-0.00093167,-0.00910826,0.00840911,0.02979533,0.00 284647,-0.09718830,0.01571192,-0.09127089,-0.11545700,-0.14733406,0.03 573614,0.67619127,0.00553000,0.00035757,0.00032265,-0.00006285,-0.0001 1030,-0.00009336,0.00011308,0.00009095,0.00016536,-0.00028623,0.000050 57,0.00017110,0.00001853,0.00004577,-0.00014035,0.00000538,-0.00001858 ,0.00000912,0.00001057,-0.00000236,-0.00001728,-0.00005270,0.00002918, 0.00003885,-0.00435920,-0.00071391,0.01265392,0.00031323,-0.00018279,- 0.00047320,-0.00000122,0.00001616,0.00002444,-0.00001308,-0.00002551,- 0.00001367,0.00007164,0.00005241,0.00011912,-0.00061140,0.00005102,-0. 00018170,0.00012923,-0.00007896,-0.00004801,0.00004039,0.00000677,-0.0 0008054,-0.00004662,0.00020262,0.00011670,-0.00003759,-0.00029321,0.00 004208,0.00006953,0.00042278,0.00011909,-0.00022080,-0.00030695,-0.000 27921,0.00078322,-0.00010248,0.00075815,0.00552239,-0.00166622,-0.0000 5085,0.00285326,0.00435102,0.00411580,-0.07589446,0.01489418,0.0409558 9,0.19311055,-0.00046898,-0.00422961,0.00106910,0.00006593,0.00015819, 0.00011908,-0.00022344,-0.00012715,-0.00018789,0.00003300,0.00024738,- 0.00049240,0.00005428,-0.00003817,0.00007631,-0.00000785,0.00001254,-0 .00000054,-0.00002113,0.00001090,0.00000251,-0.00001738,-0.00001506,-0 .00000193,-0.00610022,0.01375306,0.02084881,-0.00020496,0.00086061,0.0 0048659,0.00000224,-0.00000555,-0.00001744,0.00000922,-0.00000359,0.00 000331,-0.00003443,0.00000910,0.00003714,-0.00008885,-0.00034690,-0.00 001650,-0.00008813,-0.00024796,-0.00021484,0.00008391,0.00011366,0.000 06138,-0.00002989,-0.00013964,-0.00006392,-0.00004047,0.00034655,-0.00 010218,-0.00015997,-0.00064877,-0.00017111,0.00041730,0.00045588,0.000 43009,-0.00036748,0.00054987,0.00145109,-0.00114548,-0.00120234,0.0048 3433,0.00955453,-0.01163554,-0.03250852,0.01654183,-0.12051664,-0.0487 1758,-0.04145800,0.69594207,0.00045579,-0.00089938,0.00465766,0.000176 87,0.00035488,0.00029340,-0.00046840,-0.00032436,-0.00049621,-0.000375 86,-0.00035827,0.00028443,-0.00006590,0.00004716,-0.00023513,-0.000029 91,0.00001644,0.00001984,-0.00005464,0.00001719,0.00001794,0.00003658, -0.00001832,-0.00001607,0.01263167,0.00062119,-0.04551661,-0.00050933, 0.00048989,0.00193890,0.00000790,-0.00001030,-0.00005768,0.00002515,0. 00000326,-0.00003667,-0.00004745,-0.00008005,-0.00015904,0.00033986,0. 00067297,0.00038950,-0.00039210,-0.00043316,-0.00057391,0.00005810,0.0 0019242,0.00014410,-0.00003911,-0.00041041,-0.00025099,-0.00004630,0.0 0080806,-0.00023142,-0.00028238,-0.00154887,-0.00033603,0.00094265,0.0 0110463,0.00107969,0.00084032,-0.00041609,-0.00211951,0.00000596,0.006 99919,0.00509470,0.00421280,-0.01464272,-0.00900706,0.04072296,-0.0423 1015,-0.20585250,-0.12447228,-0.03356475,0.64861205,-0.00023965,-0.000 25121,0.00010835,0.00004956,0.00008112,0.00007071,-0.00006220,-0.00004 578,-0.00007596,-0.00000907,0.00002588,-0.00003055,-0.00000981,-0.0000 2470,0.00000832,-0.00000334,0.00000539,0.00001683,-0.00001088,0.000016 56,-0.00000134,-0.00000781,-0.00000197,0.00001896,0.00170908,0.0010405 9,0.00040620,-0.00134777,-0.00000401,0.00047295,0.00000125,0.00000189, -0.00000775,0.00000304,-0.00001614,-0.00001409,0.00000533,0.00000633,- 0.00001028,-0.00004227,-0.00003679,0.00006903,-0.00009722,-0.00002609, -0.00011517,0.00000675,0.00002112,0.00003565,-0.00000959,-0.00010292,- 0.00006733,-0.00000172,0.00016890,-0.00004377,-0.00004141,-0.00030287, -0.00005684,0.00013780,0.00019998,0.00018255,-0.00001222,0.00014997,-0 .00017645,-0.00000789,0.00020331,0.00122531,0.00038486,-0.00092051,0.0 0007859,0.00033890,-0.00469246,0.01041619,-0.07154384,-0.00356845,0.03 034961,0.17472309,0.00023212,-0.00092380,-0.00057306,-0.00008937,-0.00 012420,-0.00012249,0.00009795,0.00008916,0.00010323,0.00005669,-0.0001 2605,0.00000337,-0.00000087,0.00005476,0.00001155,0.00001149,-0.000004 89,-0.00005483,0.00002891,-0.00005081,0.00001650,0.00004601,-0.0000109 2,-0.00007709,0.00169544,-0.00169106,-0.00545237,0.00000908,0.00088100 ,-0.00084135,-0.00000440,-0.00001825,0.00000311,-0.00000381,0.00006756 ,0.00004490,-0.00010777,-0.00003021,0.00004875,-0.00013165,0.00024136, -0.00020377,0.00023500,-0.00008162,0.00007612,0.00000627,0.00002150,-0 .00005783,0.00000457,0.00016991,0.00013004,-0.00000764,-0.00025233,0.0 0004653,0.00005872,0.00044537,0.00007940,-0.00022366,-0.00031129,-0.00 025509,0.00008674,-0.00068987,-0.00012879,0.00022083,0.00128367,-0.000 25700,0.00075699,-0.00031764,-0.00218136,-0.00081588,0.01700481,-0.002 01002,-0.01942151,-0.21372020,0.13264224,-0.06649086,0.74380515,0.0000 2300,0.00148897,0.00010549,-0.00015476,-0.00027047,-0.00023591,0.00027 931,0.00019717,0.00029566,0.00012079,-0.00006831,0.00007771,0.00001250 ,0.00004265,0.00000409,0.00002117,-0.00001838,-0.00004026,0.00004710,- 0.00004637,0.00000468,0.00001484,0.00000141,-0.00004236,-0.00067564,-0 .00339828,0.00316020,0.00043143,-0.00078119,-0.00262801,-0.00000641,-0 .00000438,0.00003386,-0.00001519,0.00004552,0.00003823,-0.00005805,0.0 0001726,0.00011527,-0.00033307,0.00007213,-0.00042518,0.00037997,0.000 10115,0.00032365,-0.00001860,-0.00007513,-0.00012064,0.00000815,0.0003 4046,0.00022681,0.00001411,-0.00059105,0.00014942,0.00017045,0.0010750 5,0.00021829,-0.00058238,-0.00074132,-0.00068538,-0.00020013,-0.000503 15,0.00096359,0.00165454,-0.00081003,-0.00450272,-0.00024838,0.0023832 5,-0.00009276,0.00864503,0.01406607,-0.03577180,0.03683441,0.07308380, -0.23600144,-0.14004165,0.00719168,0.67210348,0.00015484,0.00016515,0. 00003017,-0.00000914,-0.00002346,-0.00001809,0.00003115,0.00001752,0.0 0003033,0.00000697,0.00000627,0.00001129,-0.00000424,0.00000444,-0.000 00470,0.00000224,-0.00000063,-0.00000453,0.00000554,-0.00000552,0.0000 0284,0.00000693,-0.00000190,-0.00000830,0.00029496,0.00002838,0.000933 78,0.00158449,-0.00098603,-0.00071522,-0.00000061,-0.00000234,0.000001 86,-0.00000023,0.00000739,0.00000440,-0.00001534,-0.00000639,0.0000025 7,0.00006821,-0.00002615,-0.00003179,0.00002769,0.00003474,0.00005541, -0.00000672,-0.00001672,-0.00000875,0.00000223,0.00002452,0.00001278,0 .00000559,-0.00005299,0.00001698,0.00001713,0.00010317,0.00001788,-0.0 0005785,-0.00007216,-0.00007046,-0.00020068,-0.00001281,0.00010951,-0. 00030133,-0.00020542,-0.00061246,-0.00014537,0.00019412,-0.00003108,0. 00621084,-0.00052113,0.00004871,0.00325193,-0.01614643,0.01640461,-0.0 8118939,0.03822193,0.07150313,0.17487462,-0.00009008,-0.00008706,0.000 07572,0.00001550,0.00003963,0.00002706,-0.00004059,-0.00001117,-0.0000 4393,0.00000439,0.00003085,-0.00008413,0.00000172,-0.00000868,0.000035 91,-0.00000114,0.00000940,-0.00001085,-0.00000358,0.00000103,0.0000022 7,0.00000775,-0.00000356,-0.00001467,0.00030351,0.00062285,-0.00074989 ,-0.00252023,0.00231218,0.00934702,0.00000026,-0.00000746,-0.00000738, 0.00000255,0.00000408,0.00001036,-0.00001553,-0.00001365,-0.00000824,0 .00003815,-0.00003424,0.00007777,-0.00003135,-0.00005446,-0.00005909,0 .00001165,0.00003036,0.00001526,0.00000074,-0.00004357,-0.00002105,-0. 00000900,0.00008434,-0.00002731,-0.00002600,-0.00014875,-0.00003410,0. 00007879,0.00009722,0.00009784,0.00003571,0.00007955,-0.00010001,-0.00 055718,0.00041754,0.00120277,0.00008936,-0.00138448,-0.00009404,-0.000 81124,-0.00182141,0.00685203,-0.00293294,0.06132715,-0.00963729,0.0201 6010,-0.15763308,-0.03947783,-0.04623679,0.70098409,-0.00001338,-0.000 74786,-0.00014896,0.00007440,0.00012465,0.00011051,-0.00012373,-0.0000 9602,-0.00014999,-0.00005545,0.00005904,-0.00007169,0.00000213,-0.0000 2979,0.00002081,-0.00000857,0.00000924,0.00001974,-0.00002213,0.000024 88,-0.00000421,-0.00000521,-0.00000015,0.00002480,0.00135307,-0.000258 63,-0.00432164,-0.00011222,0.00343773,0.00043515,0.00000258,0.00000284 ,-0.00001560,0.00000582,-0.00002604,-0.00001808,0.00003930,0.00000220, -0.00007118,0.00021371,-0.00004251,0.00029861,-0.00022289,0.00001953,- 0.00014434,-0.00001292,0.00001716,0.00005566,0.00001322,-0.00017466,-0 .00011750,0.00000241,0.00028480,-0.00006877,-0.00006728,-0.00051289,-0 .00009931,0.00026781,0.00035828,0.00033202,0.00017695,0.00023643,-0.00 090404,-0.00079622,0.00085094,0.00199724,-0.00002588,-0.00031454,0.000 72988,-0.00003387,0.00549584,0.00454477,0.01169192,0.04002698,-0.05469 497,0.07838359,-0.10886949,-0.32071272,-0.14619311,-0.04513520,0.71836 722,0.00002220,-0.00012379,0.00022676,0.00003819,0.00006195,0.00005684 ,-0.00006588,-0.00005087,-0.00006670,-0.00004274,0.00000721,0.00001605 ,-0.00000402,-0.00000989,-0.00001652,-0.00000595,0.00000159,0.00001609 ,-0.00001287,0.00001310,-0.00000212,-0.00000898,0.00000071,0.00001822, -0.00014350,0.00020670,-0.00057151,0.01404963,0.00393435,0.01000012,0. 00000195,0.00000430,-0.00000628,0.00000350,-0.00001543,-0.00001502,0.0 0002142,0.00000193,-0.00002564,0.00006900,0.00000376,0.00006647,-0.000 09081,-0.00001654,-0.00006697,0.00000249,0.00001079,0.00002776,-0.0000 0447,-0.00007764,-0.00005475,-0.00000242,0.00013450,-0.00003197,-0.000 03972,-0.00024778,-0.00004935,0.00013635,0.00017367,0.00015710,0.00004 336,0.00006944,-0.00017000,-0.00008451,0.00024280,0.00035276,-0.000070 68,-0.00021590,-0.00009397,-0.00078615,0.00021271,0.00082871,-0.006056 52,-0.00125882,-0.00330630,0.00379716,0.00997265,0.00689341,-0.0690995 5,0.03778933,0.01234432,0.17952669,-0.00000635,0.00042176,0.00037862,- 0.00008896,-0.00014351,-0.00012827,0.00012803,0.00009605,0.00014652,0. 00004316,-0.00012786,0.00009999,-0.00000231,0.00004640,-0.00004503,0.0 0000970,-0.00001087,-0.00002898,0.00002731,-0.00003552,0.00000915,0.00 002089,-0.00000366,-0.00004210,-0.00076494,-0.00006875,0.00243649,0.00 390334,0.01515687,-0.01437201,-0.00000346,-0.00000675,0.00001380,-0.00 000550,0.00004125,0.00002366,-0.00006760,-0.00001367,0.00006434,-0.000 18647,0.00014248,-0.00028634,0.00025076,-0.00002741,0.00015073,0.00000 585,-0.00001447,-0.00006235,-0.00000730,0.00019459,0.00013197,-0.00000 102,-0.00031228,0.00007287,0.00007375,0.00055702,0.00010588,-0.0002795 4,-0.00038232,-0.00034466,-0.00015005,-0.00031592,0.00070628,0.0006401 0,-0.00026297,-0.00173532,0.00011616,-0.00022010,-0.00101709,0.0005431 4,-0.00127912,-0.00185188,-0.00169451,-0.05909767,0.02618837,0.0232745 9,-0.00935137,-0.08251900,0.02321197,-0.32634820,0.01320460,-0.0515369 7,0.67310727,0.00031288,0.00021575,-0.00095591,-0.00011877,-0.00019075 ,-0.00017534,0.00019722,0.00015723,0.00019589,0.00012522,0.00003483,-0 .00010109,0.00001967,0.00001778,0.00008297,0.00001730,-0.00000296,-0.0 0005118,0.00003608,-0.00003693,0.00000325,0.00002024,-0.00000075,-0.00 005203,-0.00004447,-0.00082069,0.00073520,0.00999347,-0.01444744,-0.01 599856,-0.00000561,-0.00001298,0.00002017,-0.00001098,0.00004165,0.000 04798,-0.00004728,0.00000409,0.00007854,-0.00020380,-0.00009018,-0.000 14026,0.00024690,0.00008359,0.00019825,-0.00001754,-0.00003963,-0.0000 8366,0.00002406,0.00023404,0.00016494,0.00000751,-0.00040900,0.0000939 3,0.00012606,0.00075054,0.00015900,-0.00041278,-0.00052214,-0.00047199 ,-0.00004165,-0.00013154,0.00036420,0.00006320,-0.00086157,-0.00051784 ,-0.00027873,0.00105030,0.00063689,0.00064451,-0.00057875,-0.00297650, -0.00298901,0.02502796,-0.00460525,0.00188320,-0.03252822,0.01257037,0 .01814165,-0.04406241,-0.11584297,-0.13400963,-0.00623467,0.65892443,- 0.00047237,0.00004845,-0.00058761,0.00000117,-0.00000262,-0.00000287,0 .00002469,0.00001722,0.00001590,0.00004697,0.00005834,-0.00005245,0.00 000066,-0.00001610,0.00004542,0.00000250,0.00000340,-0.00000285,0.0000 0287,0.00000257,-0.00000128,0.00000237,0.00000034,0.00000027,-0.000274 28,-0.00027491,-0.00027768,0.00158270,0.00021967,-0.00121245,-0.000000 73,-0.00000183,0.00000087,-0.00000125,-0.00000202,0.00000479,0.0000047 2,0.00000141,-0.00000366,0.00002037,-0.00007311,0.00004205,-0.00000799 ,0.00004668,0.00001445,-0.00000444,-0.00000973,0.00000104,0.00000632,- 0.00000437,-0.00000160,0.00000639,-0.00000727,0.00000487,0.00001186,0. 00002801,0.00000541,-0.00003908,-0.00003177,-0.00003022,-0.00005324,0. 00007136,-0.00010890,0.00020165,-0.00021081,0.00033726,-0.00007247,0.0 0061197,0.00085505,0.00646888,0.00032695,-0.00009306,0.00356188,0.0226 5288,0.00119678,-0.00961991,-0.00266506,0.01375491,0.01315044,-0.01145 786,-0.01109994,-0.06961762,-0.00516581,0.03011260,0.17706516,-0.00017 309,-0.00003378,0.00006813,0.00005515,0.00008134,0.00007815,-0.0000610 7,-0.00005160,-0.00005790,-0.00001767,0.00010315,-0.00005299,0.0000083 1,-0.00002787,0.00001005,-0.00000687,0.00000221,0.00002903,-0.00001661 ,0.00002401,-0.00000542,-0.00001497,0.00000341,0.00003588,-0.00057462, 0.00105405,0.00107804,0.00176093,-0.00498494,-0.00439442,0.00000234,0. 00000978,-0.00000711,0.00000355,-0.00003082,-0.00002291,0.00003614,0.0 0000865,-0.00003823,0.00008836,-0.00006701,0.00006268,-0.00012086,0.00 001227,-0.00007052,-0.00000099,0.00000232,0.00003600,-0.00000591,-0.00 010373,-0.00007876,-0.00000183,0.00016974,-0.00003564,-0.00004269,-0.0 0030202,-0.00005707,0.00013887,0.00019799,0.00016331,-0.00001333,0.000 10302,-0.00012422,0.00013103,0.00012105,-0.00025547,0.00043126,0.00003 578,-0.00133000,0.00073750,-0.00661185,0.00178406,0.01033586,-0.007729 53,-0.03451177,-0.00332331,-0.00185517,0.01071018,0.00044559,-0.040823 17,0.01748800,-0.01982966,-0.21372320,0.13421345,-0.06447431,0.7539568 1,-0.00045833,-0.00005921,0.00129095,-0.00000604,0.00000356,0.00000058 ,-0.00004418,-0.00003451,-0.00003287,-0.00004789,-0.00020048,0.0001660 5,-0.00001952,0.00004240,-0.00010046,-0.00000251,-0.00000592,-0.000002 97,0.00000298,-0.00001591,0.00001144,0.00002064,-0.00000827,-0.0000235 9,-0.00022516,0.00015463,-0.00025211,-0.00181170,0.00153988,0.00762874 ,0.00000016,-0.00000319,-0.00000558,0.00000373,0.00002375,-0.00000257, -0.00005994,-0.00002905,0.00000172,-0.00002113,0.00026840,-0.00015363, 0.00007509,-0.00013147,-0.00002239,0.00002376,0.00003433,0.00000137,-0 .00002080,0.00001631,0.00001554,-0.00001056,0.00001703,-0.00000823,-0. 00003441,-0.00005202,-0.00002975,0.00007364,0.00004807,0.00005921,-0.0 0007099,-0.00027066,0.00027962,0.00041352,0.00094131,-0.00047753,0.000 53199,-0.00207620,-0.00179293,0.00002896,0.00345171,0.00563507,0.00570 872,-0.08276594,0.01503621,0.01417573,0.00847689,-0.06386858,-0.015823 79,0.06383332,0.04559183,0.03581904,0.07695927,-0.22904736,-0.13888635 ,0.01217256,0.66506505,-0.00016895,0.00035784,0.00063592,0.00003657,0. 00005499,0.00005070,-0.00004790,-0.00004985,-0.00005662,-0.00005117,-0 .00005718,0.00008761,-0.00001928,0.00000698,-0.00004581,-0.00000367,0. 00000014,0.00001469,-0.00000523,0.00000678,0.00000381,0.00000773,-0.00 000155,0.00000900,0.00044858,0.00134570,0.00054223,-0.00136319,0.00029 448,0.00024315,0.00000078,0.00000136,-0.00000725,0.00000314,-0.0000051 6,-0.00001530,-0.00001333,-0.00000970,-0.00003140,0.00012076,0.0000714 6,0.00002840,-0.00007478,-0.00003801,-0.00004780,0.00000908,0.00001246 ,0.00001723,-0.00000775,-0.00006688,-0.00004371,-0.00000036,0.00012320 ,-0.00002872,-0.00002938,-0.00023969,-0.00005059,0.00011517,0.00015912 ,0.00014358,0.00000951,-0.00001290,-0.00007042,-0.00028963,0.00054125, -0.00037879,0.00120684,-0.00100011,0.00099529,0.00240582,0.01130051,0. 00501334,-0.07474137,0.02129408,0.01959700,0.01204028,0.00003770,-0.01 588487,-0.00962987,0.01186919,0.00811382,0.00394405,-0.01542785,0.0165 5624,-0.08327202,0.03832029,0.07135225,0.18074064,0.00031834,-0.000262 69,-0.00157118,-0.00002651,-0.00005833,-0.00004786,0.00006049,0.000020 60,0.00002614,0.00004257,0.00013120,-0.00010460,0.00002487,-0.00003908 ,0.00008288,0.00000758,-0.00000235,-0.00000181,0.00000544,0.00000757,- 0.00001372,-0.00002320,0.00000674,0.00002333,0.00004898,-0.00334507,0. 00202925,0.00027616,0.00014954,-0.00154392,-0.00000168,0.00000588,0.00 001570,-0.00000825,-0.00001892,0.00000517,0.00007199,0.00005440,0.0000 1833,0.00000437,-0.00029585,0.00018735,-0.00006781,0.00021524,0.000094 94,-0.00004342,-0.00006913,-0.00002422,0.00004444,0.00003376,0.0000253 8,0.00002748,-0.00009906,0.00003414,0.00005785,0.00018833,0.00005153,- 0.00010807,-0.00010903,-0.00010695,0.00004761,0.00049923,-0.00019948,- 0.00044143,-0.00191313,0.00086760,-0.00076207,0.00469466,0.00352891,0. 00712823,-0.01382406,-0.02115333,0.03704040,-0.32250132,-0.04721788,-0 .01103221,-0.03916714,0.06041802,0.01162624,-0.04055573,-0.03144596,-0 .00289339,0.05967422,-0.00928505,0.02066757,-0.16083997,-0.04085621,-0 .04494071,0.69739919,0.00034183,-0.00092990,-0.00225843,-0.00009724,-0 .00016383,-0.00015187,0.00023935,0.00021331,0.00024954,0.00018386,0.00 028021,-0.00031528,0.00005313,-0.00002610,0.00019091,0.00001798,0.0000 0957,-0.00004991,0.00003382,-0.00002187,0.00000077,0.00001881,0.000000 69,-0.00004396,0.00073113,-0.00257792,-0.00037103,0.00030626,-0.001729 96,-0.00174647,-0.00000595,-0.00001614,0.00001704,-0.00001101,0.000025 67,0.00005413,-0.00004421,0.00000815,0.00007277,-0.00017642,-0.0002830 8,-0.00013887,0.00022898,0.00009839,0.00019031,-0.00001274,-0.00003513 ,-0.00007670,0.00001692,0.00020809,0.00013922,-0.00000095,-0.00038931, 0.00008759,0.00014062,0.00074244,0.00016637,-0.00048103,-0.00055907,-0 .00052588,-0.00011080,-0.00008757,0.00049256,-0.00013404,-0.00178886,- 0.00010338,0.00148086,0.00252690,-0.00327969,0.00690490,-0.03800407,-0 .00895680,0.01326060,0.01359707,-0.12253309,-0.01170037,0.01820180,0.0 4517254,0.00827794,-0.03263744,-0.02544905,0.01185305,0.03944622,-0.05 436896,0.07793800,-0.10931033,-0.32004968,-0.14864257,-0.03865976,0.72 672214,-0.00000830,0.00004604,-0.00011193,-0.00005005,-0.00007459,-0.0 0007014,0.00005543,0.00004384,0.00005799,0.00003363,-0.00002365,-0.000 01400,0.00000772,0.00001379,0.00001193,0.00000519,-0.00000338,-0.00002 138,0.00001138,-0.00001710,0.00000073,0.00000400,-0.00000055,-0.000022 19,0.00006852,-0.00014078,0.00036256,-0.12544805,0.11493239,0.29436959 ,-0.00000166,-0.00000413,0.00000889,-0.00000364,0.00001848,0.00001847, -0.00001369,0.00000247,0.00003354,-0.00008455,0.00000821,-0.00006258,0 .00009367,0.00001703,0.00006924,-0.00000771,-0.00001143,-0.00003234,0. 00001309,0.00009088,0.00006784,0.00000297,-0.00014950,0.00003428,0.000 04036,0.00026849,0.00005394,-0.00012831,-0.00017499,-0.00015441,0.0000 0253,-0.00006240,0.00013992,0.00003307,-0.00014184,-0.00026702,0.00008 790,0.00013722,-0.00005697,-0.00102419,-0.00017350,-0.00079452,-0.0013 2671,0.00032301,0.00074632,0.00755837,0.00151444,-0.00026768,-0.001388 90,0.00784122,0.00814068,-0.07655139,0.02254731,0.05735989,-0.00136224 ,-0.00008263,0.01148216,0.00765037,-0.00141991,0.00089279,0.19799989,- 0.00008068,0.00006215,0.00023956,0.00005557,0.00008595,0.00008133,-0.0 0007352,-0.00005411,-0.00006812,-0.00004357,0.00001457,0.00002820,-0.0 0000589,-0.00001300,-0.00002169,-0.00000847,0.00000250,0.00002809,-0.0 0001668,0.00002110,-0.00000198,-0.00001024,0.00000179,0.00002984,-0.00 000282,0.00029486,-0.00015487,0.11494947,-0.18673597,-0.38618052,0.000 00265,0.00000719,-0.00000998,0.00000494,-0.00002424,-0.00002441,0.0000 2393,-0.00000189,-0.00003849,0.00008174,0.00000777,0.00004866,-0.00010 315,-0.00003563,-0.00008129,0.00000872,0.00001573,0.00003861,-0.000015 86,-0.00010261,-0.00007807,-0.00000599,0.00017243,-0.00003941,-0.00005 155,-0.00031047,-0.00006082,0.00015880,0.00020733,0.00018043,0.0000069 0,0.00005257,-0.00010326,-0.00001170,0.00018348,0.00007292,0.00001849, -0.00026881,0.00001084,-0.00027464,0.00020559,0.00053918,0.00026325,-0 .00298025,-0.00038797,0.00101739,-0.00661873,0.00157790,0.01161135,-0. 01439606,-0.03881343,0.02247386,-0.11143914,-0.06678985,-0.00385585,0. 01689614,0.00903953,-0.00084949,-0.00046182,0.00647845,-0.14451781,0.3 0409255,-0.00014824,-0.00015702,0.00038330,0.00014088,0.00022112,0.000 20734,-0.00020079,-0.00015056,-0.00019450,-0.00011131,0.00003671,0.000 05562,-0.00001379,-0.00003528,-0.00004588,-0.00002109,0.00000670,0.000 06873,-0.00004282,0.00005291,-0.00000558,-0.00002662,0.00000400,0.0000 7472,0.00021687,0.00048174,-0.00086307,0.29437270,-0.38613393,-1.02507 617,0.00000665,0.00001737,-0.00002542,0.00001226,-0.00006043,-0.000060 22,0.00006515,-0.00000031,-0.00009862,0.00021853,0.00000403,0.00016943 ,-0.00028129,-0.00008012,-0.00021465,0.00001918,0.00003986,0.00009921, -0.00003342,-0.00026872,-0.00019932,-0.00001275,0.00045334,-0.00010387 ,-0.00013540,-0.00081849,-0.00016271,0.00042974,0.00055559,0.00049172, 0.00004957,0.00017182,-0.00037760,-0.00020520,0.00039603,0.00069221,0. 00006163,-0.00045162,0.00007481,-0.00070039,0.00026347,0.00146015,0.00 066826,-0.00039373,-0.00381319,-0.00015698,-0.00038422,0.00820584,0.00 673348,-0.02412095,-0.01513808,0.05738612,-0.06702283,-0.25540120,0.01 285343,-0.00551400,-0.04589122,0.00081925,0.00834849,0.00168678,-0.369 79227,0.47452464,1.33241022,0.00000021,0.00000012,0.00003770,-0.000052 55,-0.00007523,-0.00011571,-0.00007040,-0.00004691,-0.00005291,0.00002 747,-0.00003164,-0.00006325,-0.00000313,-0.00001665,-0.00000615,-0.002 91011,0.00035257,-0.00009027,-0.00484130,-0.00065561,0.00018995,0.0070 7695,-0.00066633,0.00031422,-0.00001798,-0.00001964,0.00001266,0.00000 144,-0.00000300,-0.00000805,-0.03549380,-0.01050573,0.01889088,0.00596 777,0.00012533,0.00076494,0.00197294,-0.00002116,0.00044058,0.00011941 ,-0.00001476,-0.00055673,0.00001026,-0.00001466,0.00001845,-0.00000041 ,-0.00000243,-0.00003409,0.00000213,0.00003245,0.00013466,0.00001504,- 0.00005592,-0.00004484,0.00004441,0.00013830,0.00002168,0.00007251,-0. 00001191,0.00001719,0.00006928,0.00005385,0.00001891,0.00001268,-0.000 04226,-0.00002229,0.00002096,-0.00003853,-0.00009323,-0.00000235,0.000 09824,0.00001197,-0.00000083,0.00000461,0.00001071,0.00000195,-0.00000 579,-0.00000944,-0.00000128,0.00000079,0.00000423,0.00000257,-0.000005 30,-0.00000696,-0.00000072,0.00000320,-0.00000066,0.00000078,-0.000001 33,-0.00000629,-0.00000211,0.00000340,0.00000869,0.02742770,0.00000098 ,-0.00000286,-0.00001004,-0.00003603,-0.00003931,-0.00005343,-0.000018 75,-0.00003062,-0.00002024,-0.00004798,0.00008715,0.00007780,0.0000098 0,0.00000837,0.00000512,-0.00198355,-0.01262835,0.02672281,0.00123744, 0.01211522,-0.01453779,0.00041468,0.00008842,-0.00595548,-0.00000119,0 .00000819,-0.00000471,-0.00000072,0.00000055,0.00000204,-0.01050317,-0 .13001912,0.13072536,-0.00021614,-0.00711272,-0.00030073,-0.00017966,0 .00119642,-0.00028262,-0.00009697,-0.00012156,-0.00005894,0.00000525,0 .00001039,0.00000041,-0.00000963,-0.00002854,-0.00002051,0.00004791,0. 00004925,0.00007934,0.00000358,0.00003023,-0.00000398,-0.00003745,-0.0 0005518,0.00000711,0.00003933,0.00006103,0.00001302,0.00003639,0.00003 127,0.00000469,0.00000056,-0.00001407,0.00000832,0.00000029,0.00000583 ,0.00000275,-0.00000046,-0.00000835,0.00000010,0.00000113,-0.00000076, -0.00000463,-0.00000066,0.00000029,0.00000253,0.00000017,-0.00000032,- 0.00000104,-0.00000049,0.00000086,0.00000170,0.00000013,-0.00000026,-0 .00000060,-0.00000071,0.00000143,0.00000182,0.00000076,-0.00000085,-0. 00000220,0.01130964,0.13598713,-0.00000102,-0.00001512,-0.00000304,0.0 0001865,0.00003952,0.00004629,0.00001502,-0.00004268,-0.00001936,0.000 07454,0.00001952,-0.00003954,0.00000119,0.00001189,0.00000094,-0.00049 405,-0.00082071,0.00552867,0.00115216,0.01450454,-0.01909923,0.0010355 1,-0.00322682,-0.00363314,0.00000107,0.00001044,-0.00003697,-0.0000001 4,-0.00000032,-0.00000009,0.01857942,0.12775440,-0.28799111,0.00024832 ,-0.00175889,0.00107197,-0.00033582,0.00109670,0.00005790,-0.00010079, 0.00003777,-0.00012440,-0.00005891,-0.00000916,-0.00004528,-0.00002337 ,0.00000249,0.00000367,0.00004880,-0.00003321,-0.00003458,0.00001573,0 .00010377,0.00001575,-0.00006221,-0.00023167,-0.00002508,0.00003315,0. 00014266,0.00006056,0.00007326,0.00004191,0.00003845,0.00000311,0.0000 1022,0.00000420,-0.00001258,0.00001015,0.00004704,-0.00000032,-0.00003 751,0.00000261,0.00000149,-0.00000235,-0.00000402,-0.00000045,-0.00000 061,0.00000271,0.00000026,-0.00000152,-0.00000132,-0.00000005,0.000001 22,-0.00000014,-0.00000037,0.00000035,0.00000060,0.00000027,0.00000042 ,-0.00000119,0.00000014,0.00000009,0.,-0.02039508,-0.13761728,0.304066 68,0.00000063,-0.00001880,0.00012791,0.00003426,-0.00001095,0.00003236 ,-0.00009046,-0.00005049,-0.00004234,-0.00123008,-0.00067333,0.0005130 2,-0.00016480,0.00001567,0.00023741,-0.00388874,-0.00087682,-0.0001633 5,0.00615389,0.00043405,0.00051764,-0.00222062,-0.00083192,-0.00098559 ,0.00000061,-0.00004369,-0.00001433,0.00000243,-0.00000542,-0.00001443 ,0.00714824,-0.00033614,0.00058806,-0.03134165,-0.01708961,0.00996412, -0.00074878,-0.00034853,0.00028656,0.00039621,0.00138121,0.00010424,0. 00004760,-0.00009873,0.00004938,0.00010776,0.00010097,0.00001553,-0.00 011451,0.00001290,-0.00009799,-0.00000101,-0.00006738,0.00000386,-0.00 002106,0.00000940,0.00001415,0.00010702,-0.00001906,0.00006199,-0.0001 5528,-0.00022192,0.00006461,0.00003659,0.00003764,-0.00000861,-0.00001 533,-0.00005131,-0.00004497,-0.00000502,0.00007453,0.00000488,-0.00000 250,0.00000285,0.00002616,0.00000214,-0.00000907,-0.00001581,-0.000001 83,0.00000006,0.00000593,0.00000485,-0.00000670,-0.00001436,-0.0000026 3,0.00000467,0.00000317,0.00000345,-0.00000647,-0.00001752,-0.00000369 ,0.00000637,0.00001581,0.00079544,-0.00003040,0.00002587,0.02536600,0. 00000305,0.00004224,-0.00010398,-0.00005626,-0.00005412,-0.00008069,0. 00005234,0.00007556,0.00005225,-0.00065250,0.00029915,0.00071952,-0.00 006314,0.00026842,0.00012286,0.00025775,0.00515976,0.00159958,-0.00016 354,-0.00167676,-0.00257570,-0.00111869,-0.01750914,0.01526266,-0.0000 1213,0.00000665,0.00002052,-0.00000316,0.00000353,0.00001055,-0.000232 90,0.00052872,-0.00153310,-0.01631546,-0.29873002,0.12149737,0.0000091 2,-0.00021622,0.00089163,0.00012843,-0.00099082,-0.00024892,-0.0000683 1,0.00007522,-0.00003476,-0.00002969,-0.00002790,-0.00003507,0.0000583 0,0.00008409,0.00011544,-0.00002807,-0.00005191,-0.00001310,0.00003975 ,0.00011541,-0.00000421,-0.00012994,-0.00010417,-0.00006448,0.00007833 ,0.00016284,-0.00004314,-0.00002405,-0.00001329,-0.00002522,0.00001251 ,0.00002773,0.00001405,0.00000920,-0.00004305,-0.00000037,0.00000237,0 .00000012,-0.00001453,-0.00000314,0.00000853,0.00000954,0.00000054,0.0 0000040,-0.00000405,-0.00000308,0.00000459,0.00000992,0.00000118,-0.00 000385,-0.00000202,-0.00000351,0.00000325,0.00001138,0.00000356,-0.000 00465,-0.00001134,-0.00003181,0.00039439,0.00004151,0.01841645,0.31209 519,0.00002133,0.00000563,-0.00001477,-0.00003496,-0.00006496,-0.00005 527,0.00000225,0.00003297,0.00002021,0.00115995,-0.00016427,-0.0014535 7,0.00004205,0.00011720,-0.00002503,0.00117422,0.02718411,-0.00938051, 0.00037311,-0.00443609,-0.00123934,-0.00092564,-0.01817833,0.01264722, -0.00001865,0.00001695,0.00005110,-0.00000218,0.00000233,0.00000636,0. 00101341,0.00082863,-0.00655913,0.00853331,0.12757044,-0.12305295,0.00 007053,0.00041226,0.00109105,-0.00009157,-0.00039747,0.00001988,0.0000 3070,0.00009858,0.00004700,0.00000434,0.00003893,-0.00005606,0.0000050 7,0.00009164,0.00004527,-0.00000765,-0.00009212,0.00000392,0.00001029, 0.00013106,0.00002489,-0.00006958,-0.00009283,-0.00008146,0.00001804,0 .00007311,-0.00002775,-0.00000779,-0.00007507,-0.00000229,0.00000571,0 .00000169,-0.00008093,0.00000490,0.00004336,-0.00000413,0.00000582,0., -0.00001066,-0.00000205,0.00000231,0.00000461,-0.00000003,0.00000117,- 0.00000156,-0.00000167,0.00000092,0.00000662,0.00000094,-0.00000174,-0 .00000390,-0.00000338,0.00000460,0.00000924,0.00000232,-0.00000291,-0. 00000705,0.00002956,0.00149147,0.00039137,-0.01098883,-0.13493246,0.12 782792,0.00005761,0.00005324,-0.00019339,-0.00155042,-0.00094644,0.003 06562,-0.00023710,-0.00138196,-0.00017371,-0.00139934,0.00073988,-0.00 059300,0.00128707,-0.00006798,-0.00109725,0.00020743,-0.00003769,0.000 25286,-0.00006356,0.00019806,-0.00014194,0.00036017,-0.00029067,0.0000 8094,-0.00007497,0.00001371,-0.00007094,-0.00000462,0.00000208,0.00000 534,-0.00008937,-0.00004754,0.00020682,0.00024058,0.00007929,-0.000107 81,-0.00038699,0.00026133,-0.00082759,-0.00106468,-0.00059000,0.002189 66,0.00251450,-0.01690841,0.00200285,-0.03843414,0.00363745,-0.0133138 2,0.00453684,0.01537093,0.00076386,0.00108579,0.00192842,-0.00246767,0 .00084103,-0.00010739,-0.00126275,-0.00009636,0.00030478,-0.00488548,0 .00037736,-0.00009094,0.00007532,-0.00014394,-0.00000909,0.00016632,-0 .00003173,0.00009280,0.00005277,0.00003718,-0.00014260,0.00005271,0.00 000983,0.00000895,-0.00000097,-0.00000490,0.00000927,0.00000544,-0.000 00195,0.00000170,-0.00000400,-0.00000207,0.00000593,0.00000780,-0.0000 0243,-0.00000242,0.00000215,-0.00000736,-0.00000493,0.00001010,0.00000 409,-0.00000209,-0.00000596,0.00000644,0.00002046,-0.00000642,-0.00015 724,0.00009834,-0.00003020,0.03228110,0.00000986,0.00002577,0.00002114 ,-0.00041192,0.00152622,-0.00037371,-0.00014049,-0.00050270,0.00005036 ,0.00321454,0.00056757,0.00439809,-0.00001417,0.00118910,-0.00004350,0 .00010218,-0.00001033,0.00009946,-0.00004828,0.00002174,-0.00000207,0. 00000723,0.00000589,0.00012308,-0.00001195,-0.00004955,0.00019960,0.00 000416,-0.00000436,-0.00001100,-0.00008628,-0.00009311,0.00006035,-0.0 0019771,0.00007557,-0.00016003,0.00005018,0.00007708,-0.00032186,-0.00 000249,-0.00308362,0.00042263,0.00041107,-0.00994315,0.00000612,0.0017 5147,-0.35188991,-0.00764904,-0.00291452,-0.01278203,-0.00373610,0.001 55690,-0.00098642,0.00194400,0.00068036,0.00116964,0.00048331,-0.00121 139,0.00038309,-0.00188724,-0.00022431,-0.00007557,0.00016016,0.000079 58,-0.00005240,-0.00013685,0.00009260,-0.00013084,-0.00030768,-0.00003 951,0.00034722,0.00000532,-0.00000358,0.00000891,0.00001286,0.00000515 ,-0.00000956,-0.00001772,-0.00000117,0.00000307,0.00001048,0.00000381, -0.00001309,-0.00000959,0.00000184,0.00000595,-0.00000674,0.00000307,0 .00000384,-0.00000351,-0.00000461,0.00000439,0.00001215,-0.00000108,-0 .00000060,0.00000034,-0.00000078,0.00002861,0.00000504,-0.00260223,0.3 7460091,-0.00007593,0.00013058,-0.00016517,0.00313029,-0.00118781,-0.0 0024873,-0.00063697,-0.00121085,-0.00003026,-0.00042731,0.00137725,-0. 00121486,-0.00141882,0.00091945,-0.00472282,-0.00020617,-0.00000953,-0 .00027942,0.00003561,-0.00014797,0.00003914,-0.00007455,-0.00002108,-0 .00014944,0.00003064,-0.00001341,0.00003754,-0.00000235,0.00000430,0.0 0001088,0.00002589,0.00013168,-0.00012930,0.00001900,-0.00000544,0.000 39872,0.00012683,0.00012466,0.00068087,0.00167124,-0.00159743,-0.00008 774,0.00265520,-0.01703873,0.00341148,-0.01273992,-0.01218711,-0.04722 378,0.00078774,0.02210470,0.00534743,-0.00380215,0.00241908,-0.0015044 3,-0.00182786,-0.00027997,-0.00059344,-0.00381973,-0.00165598,-0.00019 377,0.00031747,0.00030390,-0.00049114,-0.00016035,-0.00019548,0.000052 81,0.00011072,0.00000090,-0.00020152,0.00000230,0.00009031,0.00002593, -0.00000123,0.00000673,-0.00002519,-0.00000160,0.00000498,0.00000682,0 .00000072,0.00000378,-0.00000173,-0.00000358,-0.00000062,0.00001246,0. 00000451,-0.00000225,-0.00000931,-0.00000531,0.00000843,0.00002205,0.0 0000295,-0.00000514,-0.00001226,0.00000837,0.00000444,-0.00000661,-0.0 0000846,0.00003298,0.00005443,0.01612585,0.00671710,0.04700965,0.00015 990,0.00034336,0.00003543,-0.00058341,0.00050458,0.00241936,0.00009589 ,-0.00042570,-0.00064964,-0.00026691,-0.00005493,-0.00003465,0.0000622 5,-0.00005529,0.00012725,0.00001292,0.00005581,-0.00004634,-0.00009008 ,-0.00000423,0.00003199,-0.00017996,-0.00001372,0.00002547,0.00021053, -0.00007883,-0.00099794,-0.00000464,0.00000414,0.00000991,0.00000198,- 0.00000774,-0.00016587,-0.00002273,0.00004739,0.00005018,-0.00008828,- 0.00063788,0.00049511,0.00220615,0.00040827,-0.00234788,0.00115307,-0. 00357348,0.00409581,0.00083203,0.00008787,-0.00216349,0.00327083,-0.00 455675,-0.00425360,-0.16176344,0.09838763,-0.11420197,-0.01349110,0.00 001028,-0.01200749,0.00001927,0.00495739,-0.00562866,-0.00163779,0.001 50000,-0.00192464,-0.00105054,-0.00050585,0.00117298,-0.00013187,0.000 33058,0.00023617,0.00004489,-0.00071649,0.00024735,0.00003337,0.000012 56,-0.00001403,-0.00000697,0.00001514,0.00002420,-0.00000102,-0.000002 15,-0.00002004,-0.00000460,0.00001937,0.00001178,-0.00000438,-0.000007 31,0.00001091,-0.00000486,-0.00001382,0.00000902,0.00000520,-0.0000037 4,-0.00001170,-0.00002160,0.00000186,-0.00000030,0.00001314,0.00000223 ,0.00000743,0.00004373,-0.00003476,-0.00000442,0.17078228,0.00005665,0 .00001934,-0.00004613,-0.00081371,0.00335355,-0.00016685,-0.00019408,0 .00038205,-0.00066332,0.00012630,0.00005191,0.00018880,0.00004309,0.00 003734,-0.00011380,-0.00000309,0.00003515,-0.00005032,-0.00002927,0.00 000312,0.00001671,0.00002669,-0.00003359,-0.00005210,0.00003073,0.0000 4030,-0.00012133,-0.00000414,0.00000388,0.00001147,-0.00001101,-0.0000 3436,-0.00000888,-0.00000693,0.00002573,0.00004743,-0.00007072,0.00001 351,-0.00003008,0.00001774,-0.00016499,0.00018292,-0.00085147,-0.00104 260,-0.00115347,0.00011405,-0.00528326,-0.00025531,0.02206544,-0.01120 419,0.01978256,0.08841734,-0.11887670,0.07664193,-0.01044043,0.0116473 4,-0.00770685,-0.00277700,0.00011500,-0.00345018,-0.00002210,0.0000967 3,-0.00016081,-0.00005988,0.00000321,0.00010106,-0.00006802,0.00007923 ,0.00015669,-0.00000015,-0.00020703,0.00000350,0.00001190,-0.00000723, -0.00002313,-0.00000562,0.00000751,0.00001816,0.00000142,-0.00000285,- 0.00000900,-0.00000368,0.00000983,0.00001138,-0.00000063,-0.00000388,0 .00000082,-0.00000319,0.00000215,0.00001034,0.00000446,-0.00000482,-0. 00001292,0.00001202,0.00000564,-0.00000423,-0.00000709,0.00000890,0.00 000276,0.00043830,-0.00048416,0.00115013,-0.09598774,0.12143928,-0.000 18024,-0.00036632,0.00011753,0.00179628,0.00000734,-0.00140969,-0.0002 0817,0.00084271,0.00032612,0.00031305,0.00000336,0.00033036,-0.0000785 9,0.00009055,-0.00025282,-0.00000210,-0.00009369,0.00016782,0.00007483 ,0.00005215,-0.00005126,0.00012959,0.00001412,0.00014944,-0.00026090,- 0.00005596,0.00130845,0.00001683,-0.00001904,-0.00004380,0.00000338,0. 00009634,0.00015718,0.00001126,-0.00013034,-0.00012909,0.00027856,0.00 061125,-0.00051121,-0.00263895,-0.00022861,0.00143256,-0.00080260,0.00 153677,-0.00386878,0.00032621,-0.00021563,0.00430578,-0.00322772,0.003 14079,0.00319388,-0.11940693,0.07686281,-0.14037413,-0.00990780,0.0075 9643,-0.01065757,-0.00398153,-0.00497857,0.00233444,0.00157904,-0.0015 5668,0.00230005,0.00116142,0.00047661,-0.00137416,0.00025838,-0.000563 97,-0.00071758,-0.00007748,0.00131373,-0.00024302,-0.00005376,0.000012 47,0.00008154,0.00002230,-0.00003844,-0.00007425,-0.00000340,0.0000080 3,0.00004511,0.00001655,-0.00004702,-0.00004778,0.00000404,0.00002334, -0.00001074,0.00001732,0.00000705,-0.00004286,-0.00001883,0.00001884,0 .00005108,0.00000264,0.00000236,0.00001600,-0.00001099,-0.00000883,-0. 00001196,-0.00010465,-0.00012281,0.00015386,0.13532599,-0.08434119,0.1 4344849,0.00319059,0.00011527,0.00224890,-0.00008274,0.00007801,-0.000 10194,-0.00155448,-0.00075688,0.00039698,0.00299830,0.00040808,0.00228 166,-0.00012042,0.00062374,0.00063679,0.00000350,-0.00006977,-0.000087 60,0.00005239,-0.00010449,0.00006780,0.00009839,-0.00022000,-0.0002002 4,-0.00375719,0.00059050,-0.00126765,-0.00000243,-0.00000270,-0.000008 51,0.00000082,-0.00002362,0.00000329,-0.00002719,0.00009820,-0.0001077 9,0.00057408,0.00018413,-0.00099036,0.00239611,0.00702617,-0.00618456, 0.00080881,-0.00331628,0.00106608,0.00076623,0.00062213,-0.00045667,-0 .00021683,0.00043027,0.00047632,-0.00083542,0.00005763,-0.00020903,0.0 0063756,-0.00126798,0.00035936,0.00090852,0.00155058,-0.00001601,-0.03 698542,-0.00100118,0.00919456,0.00685847,-0.00997017,0.00001239,0.0004 7941,-0.00083200,0.00025651,0.00017684,0.00047337,0.00001348,0.0000823 1,0.00000585,-0.00007784,0.00003753,-0.00002442,0.00002947,0.00000378, -0.00000458,-0.00001174,0.00000742,-0.00000387,0.00000589,0.00000045,0 .00002352,-0.00002958,-0.00005821,-0.00000450,0.00003173,-0.00000112,0 .00000415,0.00000055,-0.00000041,-0.00000318,-0.00000627,0.00002214,-0 .00001005,0.00000634,-0.00004574,0.00001104,-0.00001804,0.00024193,0.0 0000207,-0.00026224,0.02430499,-0.00056621,0.00024979,0.00062970,0.000 06071,0.00028868,0.00019219,-0.00193776,-0.00452578,0.00234609,-0.0001 3281,0.00054890,-0.00139251,0.00022133,-0.00009765,0.00019651,-0.00000 637,0.00006953,-0.00005754,-0.00003615,0.00001362,0.00001467,0.0001369 2,0.00003922,-0.00012493,0.00079090,0.00079312,-0.00214828,-0.00000339 ,0.00000079,0.00000722,-0.00000260,-0.00004576,-0.00005085,0.00001526, -0.00000841,0.00010298,-0.00034759,-0.00019377,-0.00002443,-0.00045468 ,-0.00584043,0.00145128,-0.00048262,-0.00023924,-0.00059547,-0.0002354 2,0.00007193,-0.00001761,0.00021926,-0.00062649,-0.00011391,0.00010482 ,0.00105716,-0.00015893,-0.00072064,-0.00159524,-0.00077213,0.00234861 ,0.00236350,0.00264070,-0.00415430,-0.35273424,-0.03666572,-0.00021915 ,-0.01253563,-0.00122402,0.00009776,-0.00045974,-0.00037878,-0.0001728 5,0.00056871,0.00045263,0.00002567,-0.00005168,-0.00014381,-0.00001489 ,-0.00005610,0.00006139,0.00000667,-0.00002168,-0.00002087,-0.00000462 ,0.00000237,0.00001723,0.00000358,0.00001414,-0.00002707,-0.00000816,0 .00005061,0.00001984,0.00000547,-0.00000457,-0.00001354,0.00000373,0.0 0000162,-0.00000550,-0.00001508,0.00002143,0.00000898,0.00002865,0.000 03778,0.00002579,-0.00005355,-0.00002457,0.00009526,0.00524286,0.37248 754,0.00229669,0.00063813,-0.00253894,0.00019241,0.00007544,0.00007784 ,0.00244284,0.00358915,0.00070167,0.00156115,-0.00560807,-0.00530991,0 .00056657,0.00035649,0.00023405,0.00004150,0.00008867,-0.00000615,0.00 003364,0.00005388,-0.00002086,0.00000103,0.00024210,0.00001349,-0.0017 6029,-0.00039300,0.00065670,0.00000250,-0.00000668,-0.00001308,-0.0000 3373,0.00000014,-0.00004922,-0.00006619,-0.00015504,0.00013039,-0.0002 5034,0.00001695,0.00006147,-0.00128221,-0.02403467,0.00238001,0.000874 03,-0.00041787,0.00154749,-0.00003016,0.00016968,-0.00026134,-0.000114 27,0.00016502,0.00009224,-0.00025580,-0.00036008,0.00013169,0.00105702 ,0.00077574,0.00079574,-0.00442809,-0.00243727,-0.00523521,0.00349298, -0.03568719,-0.05681642,0.00205921,0.02574570,0.00434981,0.00039276,0. 00127895,-0.00049953,0.00034117,0.00025366,0.00003407,-0.00005929,-0.0 0002819,0.00023361,0.00002748,0.00005443,-0.00005740,-0.00000800,-0.00 001569,0.00004409,0.00001542,-0.00001431,-0.00004096,-0.00001009,-0.00 003927,0.00004331,0.00000948,0.00002218,-0.00013982,-0.00000818,0.0000 0004,0.00002823,-0.00000111,0.00000343,-0.00000424,-0.00005237,0.00005 352,0.00002283,0.00011013,0.00005861,0.00016768,0.00007689,0.00004008, -0.00005487,-0.00756640,0.03573739,0.05995845,-0.00233583,-0.00518961, 0.00251283,0.00000433,0.00003999,0.00001657,-0.00005882,0.00003677,-0. 00004033,0.00006346,-0.00025187,0.00005029,-0.00002116,0.00004379,-0.0 0001778,-0.00000574,0.00001550,-0.00000906,-0.00000869,0.00000828,0.00 000470,0.00000197,-0.00001585,-0.00001360,0.00548536,0.00103053,0.0014 7015,-0.00002628,-0.00000537,-0.00001446,0.00000232,-0.00000912,-0.000 00430,0.00000224,-0.00000190,0.00001529,0.00002998,-0.00002176,-0.0000 3794,0.00015499,0.00001485,-0.00038077,0.00001285,-0.00016663,0.000231 56,-0.00001679,0.00002143,-0.00000210,0.00004915,-0.00008417,-0.000004 51,-0.00002195,0.00015111,-0.00002669,0.00012293,-0.00024923,0.0000702 8,-0.00004046,0.00018912,0.00002681,0.00127733,-0.00018975,0.00099498, 0.00195570,0.00075273,0.00154262,-0.03643642,-0.04577146,0.03785443,0. 00131833,0.00209496,-0.00272775,-0.00191510,-0.00032543,-0.00073025,-0 .00024042,-0.00000311,0.00009280,-0.00039725,0.00008592,0.00000317,0.0 0003370,-0.00008546,0.00004396,0.00013743,0.00002168,-0.00005268,-0.00 005224,0.00010088,0.00008029,0.00008247,0.00001366,0.00003535,0.000002 11,0.00000041,-0.00000068,0.00000565,-0.00000197,0.00000327,0.00000391 ,0.00000078,-0.00000063,-0.00001022,-0.00000957,0.00001260,-0.00059232 ,0.00006977,-0.00025775,0.03041767,0.00161608,0.00721476,-0.00534620,- 0.00003501,-0.00006161,-0.00005149,0.00005552,0.00004304,0.00003740,0. 00004484,-0.00006462,-0.00011277,0.00001108,0.00005602,0.00000616,0.00 000354,-0.00001173,-0.00000915,0.00001064,-0.00002173,0.00000328,0.000 00750,0.00000100,-0.00001637,-0.00013899,-0.00573877,0.00044241,-0.000 01554,0.00001231,0.00006245,-0.00000119,0.00000151,0.00000316,-0.00000 229,0.00002522,0.00000508,-0.00002424,-0.00000949,0.00002773,-0.000102 36,-0.00001669,0.00002133,0.00007412,0.00001816,0.00005916,-0.00001111 ,-0.00001219,-0.00002758,0.00000553,0.00007400,0.00004517,0.00000360,- 0.00012306,0.00002832,0.00003327,0.00021785,0.00004213,-0.00010655,-0. 00014801,-0.00012241,-0.00019996,0.00067531,0.00068033,0.00146669,-0.0 0153834,-0.00526308,-0.04461251,-0.26070246,0.14277892,-0.00551902,-0. 00710189,0.01858129,-0.00017994,0.00026982,0.00050988,0.00004661,-0.00 066870,0.00055142,0.00004947,0.00044116,-0.00020805,-0.00004684,0.0000 8203,0.00008578,-0.00000670,0.00006317,0.00003532,0.00006731,-0.000103 37,-0.00012258,0.00000484,0.00003777,-0.00006932,-0.00000213,-0.000000 08,0.00000073,-0.00000178,0.00000425,-0.00000085,0.00000201,-0.0000029 4,-0.00000125,0.00000272,0.00000409,-0.00001207,0.00011684,0.00019324, -0.00018182,0.04740852,0.26600472,0.00199307,0.01792838,-0.00864074,0. 00000183,0.00003598,0.00001749,-0.00008792,-0.00000936,-0.00015138,0.0 0021636,0.00027720,-0.00077210,0.00007467,0.00001725,0.00021931,0.0000 0169,0.00000533,-0.00002204,-0.00000507,-0.00000804,0.00000247,0.00000 311,-0.00001285,-0.00001333,0.00149639,-0.00397509,0.00118092,-0.00001 127,0.00000639,0.00000998,-0.00000019,-0.00000638,-0.00000993,-0.00000 075,0.00001756,0.00002458,0.00000190,0.00002874,0.00000652,0.00002701, -0.00056529,0.00019636,-0.00010774,-0.00002890,0.00001830,-0.00001450, 0.00002250,0.00000783,0.00004393,-0.00005635,-0.00000696,-0.00000970,0 .00014094,-0.00004714,-0.00001317,-0.00026320,-0.00002613,0.00015166,0 .00021587,0.00019525,0.00013670,0.00165833,0.00092861,0.00213066,-0.00 195784,-0.00494468,0.03829230,0.14435534,-0.14868723,-0.00315134,-0.00 576980,0.01053460,-0.00058358,0.00115325,-0.00024566,0.00019136,-0.001 07031,-0.00081348,-0.00011049,0.00018504,-0.00002359,0.00002410,-0.000 05561,-0.00003851,0.00003074,0.00014626,-0.00002686,-0.00001040,-0.000 00724,0.00004652,0.00001841,0.00003037,0.00001730,0.00000102,-0.000000 02,-0.00000183,-0.00000379,0.00000896,0.00000376,0.00000953,0.00001322 ,0.00001089,-0.00000753,-0.00000377,0.00001571,0.00000774,0.00010616,- 0.00050598,-0.04125365,-0.15157911,0.15384382,-0.00020305,-0.00002345, 0.00003498,-0.00002211,-0.00002999,-0.00002757,0.00001427,0.00001344,0 .00002079,0.00000751,-0.00003173,0.00000540,0.00000725,0.00001351,-0.0 0000789,-0.00000010,-0.00000231,-0.00000659,0.00000201,-0.00000631,-0. 00000053,-0.00000255,0.00000133,-0.00000637,-0.00012881,-0.00005294,0. 00013715,-0.00017727,-0.00005944,0.00006536,0.00000003,0.00000012,0.00 000311,-0.00000099,0.00000595,0.00000567,0.00000282,-0.00000163,0.0000 1391,-0.00004684,0.00003189,-0.00004385,0.00004191,-0.00000856,0.00002 874,-0.00000430,-0.00000089,-0.00001215,0.00000607,0.00003719,0.000027 03,-0.00000055,-0.00005496,0.00001314,0.00001356,0.00009853,0.00002058 ,-0.00004236,-0.00006198,-0.00005802,0.00004862,-0.00005612,0.00009108 ,0.00014540,0.00002349,-0.00008489,-0.00015962,0.00019879,-0.00001120, -0.00301515,-0.00037436,-0.00118030,0.00318204,-0.00434033,-0.00060848 ,-0.04340696,0.04108297,0.00995581,0.00217086,0.00865689,0.00045608,0. 00676225,0.00095750,0.00317501,-0.00067175,-0.00020566,0.00010642,0.00 580973,-0.00010790,0.00217923,0.00036459,0.00046949,0.00005783,-0.0000 0018,0.00000026,0.00000014,0.00000070,0.00000116,0.00000103,0.00000459 ,-0.00000293,-0.00000082,0.00000298,0.00000187,-0.00000846,-0.00001519 ,0.00000142,-0.00000985,0.00107521,0.00001048,0.00056778,0.03276498,-0 .00015511,0.00045548,0.00038936,-0.00002359,-0.00004059,-0.00003628,0. 00004924,0.00004114,0.00005181,0.00001279,-0.00001710,-0.00000122,0.00 000464,0.00000887,-0.00000539,0.00000285,-0.00000053,-0.00000859,0.000 00726,-0.00000643,0.00000051,0.00000306,0.00000087,-0.00000978,-0.0001 9579,0.00012782,0.00042954,0.00000680,-0.00000432,-0.00011398,-0.00000 097,-0.00000253,0.00000485,-0.00000205,0.00000723,0.00000776,-0.000009 70,-0.00000384,0.00001655,-0.00004913,0.00001309,-0.00004455,0.0000621 2,0.00001065,0.00004808,-0.00000312,-0.00000853,-0.00001813,0.00000102 ,0.00005071,0.00003251,0.00000090,-0.00009500,0.00002308,0.00003151,0. 00017722,0.00003803,-0.00010284,-0.00012603,-0.00011661,-0.00001501,0. 00001148,0.00017147,0.00015608,0.00006984,-0.00042198,0.00004560,-0.00 048394,-0.00066296,0.00008227,-0.00041158,-0.00145871,0.00306701,-0.01 521419,-0.00462931,0.04096480,-0.33744899,-0.03099496,0.00081213,-0.00 741877,0.00103954,0.00108040,0.00172190,-0.00156266,-0.00020344,0.0005 8579,0.00032501,-0.00030088,-0.00018675,0.00393727,0.00009034,-0.00040 808,0.00007606,-0.00000132,0.00000028,0.00000006,-0.00000197,0.0000014 2,0.00000093,0.00000158,-0.00000288,0.00000137,0.00000275,0.00000235,- 0.00001110,0.00000740,0.00000840,-0.00003660,0.00029707,0.00077005,-0. 00103651,-0.04532899,0.35793405,0.00005128,-0.00012493,-0.00020290,0.0 0005700,0.00009335,0.00008489,-0.00009486,-0.00007049,-0.00009210,-0.0 0004027,0.00002899,0.00003423,-0.00001194,-0.00002106,-0.00000374,-0.0 0000857,0.00000456,0.00002435,-0.00001874,0.00002229,-0.00000330,-0.00 001540,0.00000168,0.00003010,-0.00001760,-0.00017584,0.00013362,0.0000 3365,0.00017059,-0.00037199,0.00000295,0.00000556,-0.00000893,0.000004 82,-0.00002574,-0.00002117,0.00003578,0.00000423,-0.00003337,0.0000918 2,-0.00002179,0.00007173,-0.00012636,-0.00003656,-0.00009505,0.0000116 2,0.00001826,0.00004175,-0.00001190,-0.00011259,-0.00007808,-0.0000046 6,0.00019543,-0.00004583,-0.00006239,-0.00035667,-0.00007234,0.0001979 1,0.00024783,0.00022269,0.00001192,0.00006192,-0.00013255,-0.00003729, -0.00014736,0.00022640,0.00013434,0.00026136,-0.00072654,-0.00110184,- 0.00029981,0.00075023,-0.00395324,0.02381798,0.00834548,0.00987293,-0. 02977317,-0.06185831,0.00381462,-0.02983824,0.00063900,0.00318340,-0.0 0114379,-0.00427931,0.00006369,0.00030268,-0.00103631,0.00231435,0.002 71959,-0.00374417,0.00023540,-0.00152263,0.00013265,0.00000378,-0.0000 0075,-0.00000024,0.00000677,-0.00000450,-0.00000208,-0.00000338,0.0000 0579,-0.00000377,-0.00000412,-0.00000570,0.00002069,-0.00000793,0.0000 0079,0.00002363,0.00052177,-0.00095525,-0.00230765,-0.01340708,0.03527 576,0.06322413,0.00000578,0.00002740,0.00001415,0.00000193,0.00000526, 0.00000497,-0.00001280,-0.00000832,-0.00000901,-0.00000726,0.00000258, 0.00000542,0.00000100,-0.00000142,-0.00000194,-0.00000206,0.00000010,0 .00000246,-0.00000312,0.00000245,-0.00000119,-0.00000386,0.00000111,0. 00000355,-0.00026676,0.00006393,0.00008812,0.00038722,-0.00001017,0.00 016542,0.00000060,0.00000127,-0.00000019,0.00000075,-0.00000375,-0.000 00227,0.00000910,-0.00000015,-0.00000431,0.00001478,-0.00000386,0.0000 1036,-0.00001074,-0.00000307,-0.00000678,0.00000092,0.00000143,0.00000 394,0.00000035,-0.00000484,-0.00000391,-0.00000141,0.00001260,-0.00000 328,-0.00000785,-0.00002585,-0.00000543,0.00002269,0.00002099,0.000020 22,0.00000618,0.00001760,0.00000468,-0.00004643,-0.00005612,-0.0000063 8,-0.00000980,-0.00001815,-0.00000078,0.00038455,-0.00041803,0.0001348 9,0.00677580,0.00162856,0.00307518,0.00230165,-0.00571861,0.00583199,- 0.04432913,-0.02232382,0.03550423,0.00362440,0.00312221,-0.00350401,0. 00555339,0.00150145,0.00146636,-0.00066634,0.00024442,-0.00002977,-0.0 0351324,-0.00039170,-0.00134301,0.00000080,0.,0.00000003,0.00000174,-0 .00000053,-0.00000002,0.00000104,0.00000014,-0.00000074,0.00000090,-0. 00000007,0.00000006,-0.00000149,0.00000107,-0.00000054,0.00000103,0.00 001026,0.00000556,-0.00392966,-0.00052603,-0.00130091,0.03411119,0.000 00598,-0.00002228,-0.00002463,0.00000251,0.00000309,0.00000358,-0.0000 0091,-0.00000029,-0.00000067,-0.00000148,0.00000094,-0.00000115,0.0000 0052,0.00000034,0.00000054,-0.00000056,-0.00000042,0.00000187,-0.00000 088,0.00000061,-0.00000002,-0.00000016,0.00000030,0.00000187,0.0000495 2,-0.00005332,-0.00027451,0.00019769,0.00006004,-0.00061552,0.00000014 ,0.00000081,-0.00000094,0.00000026,-0.00000073,-0.00000162,0.00000147, -0.00000024,-0.00000345,0.00000679,0.00000283,0.00000490,-0.00000476,0 .00000090,-0.00000266,-0.00000068,0.00000011,0.00000166,-0.00000066,-0 .00000403,-0.00000426,-0.00000031,0.00000568,-0.00000134,-0.00000095,- 0.00000966,-0.00000089,0.00000299,0.00000510,0.00000396,0.00000971,-0. 00000690,-0.00003496,0.00000132,0.00003931,-0.00000142,-0.00000063,0.0 0004262,0.00004791,0.00004005,0.00057502,-0.00026542,0.00149425,-0.000 26890,-0.00265132,0.00194269,0.01140676,-0.01091730,-0.02213284,-0.175 00035,0.14115058,-0.00455231,-0.01433580,0.02463539,0.00176944,-0.0050 3525,-0.00249030,0.00017099,-0.00031981,-0.00079322,-0.00086810,0.0007 3593,0.00151536,0.00000020,-0.00000010,0.00000003,0.00000034,-0.000000 02,-0.00000016,0.00000017,0.00000029,-0.00000028,-0.00000031,-0.000000 19,0.00000089,-0.00000011,-0.00000112,0.00000068,0.00000044,-0.0000126 2,-0.00002138,-0.00055676,0.00081048,0.00013422,0.02277096,0.18201793, 0.00001435,-0.00006380,-0.00005741,-0.00002614,-0.00003876,-0.00003628 ,0.00002866,0.00002196,0.00002747,0.00001645,-0.00001884,-0.00001254,0 .00000492,0.00001077,0.00000675,0.00000310,-0.00000243,-0.00001215,0.0 0000712,-0.00001142,0.00000197,0.00000722,-0.00000136,-0.00001498,0.00 006805,-0.00021944,-0.00048925,0.00008892,0.00017733,0.00000581,-0.000 00110,-0.00000252,0.00000278,-0.00000172,0.00001335,0.00001032,-0.0000 1578,-0.00000158,0.00001354,-0.00003174,0.00002241,-0.00002670,0.00005 060,0.00000628,0.00003352,-0.00000420,-0.00000374,-0.00001706,0.000007 22,0.00004775,0.00003543,0.00000083,-0.00007445,0.00001616,0.00002006, 0.00013185,0.00002530,-0.00006401,-0.00008768,-0.00007503,0.00001510,- 0.00006591,0.00000967,0.00002769,0.00011351,-0.00008931,0.00003512,-0. 00000039,-0.00006485,-0.00000530,0.00137680,-0.00007949,0.00303571,-0. 00327021,-0.00281500,0.00284368,0.01912471,-0.01566039,0.03533445,0.14 253193,-0.23165452,-0.00043346,-0.00584895,0.00701517,0.00141488,-0.00 148790,0.00108729,-0.00006956,-0.00090506,-0.00001524,-0.00115441,-0.0 0029161,0.00074062,-0.00000141,0.00000029,0.00000004,-0.00000247,0.000 00225,0.00000103,0.00000239,-0.00000236,0.00000152,0.00000251,0.000002 48,-0.00000903,-0.00000448,-0.00000145,0.00000131,0.00000062,-0.000005 40,-0.00002344,-0.00126133,-0.00019261,0.00065850,-0.03976677,-0.15075 837,0.24114159,0.00003067,0.00002635,0.00004205,-0.00000031,0.00000409 ,0.00000328,-0.00002430,-0.00001807,-0.00002081,-0.00001318,-0.0000101 4,0.00000769,-0.00000002,-0.00000055,-0.00000667,-0.00000197,-0.000001 69,0.00000123,-0.00000421,0.00000003,-0.00000138,-0.00000559,0.0000003 1,0.00000231,0.00005950,-0.00001743,0.00004036,0.00038844,0.00012307,0 .00012725,0.00000072,0.00000196,0.00000017,0.00000090,-0.00000139,-0.0 0000181,0.00001024,0.00000321,-0.00000158,0.00001001,0.00000433,0.0000 1128,-0.00001284,-0.00000368,-0.00000612,-0.00000231,0.00000070,0.0000 0391,0.00000359,-0.00000713,-0.00000345,0.00000032,0.00001540,-0.00000 302,-0.00001255,-0.00002881,-0.00000772,0.00003923,0.00003327,0.000033 22,0.00000265,0.00001371,-0.00001883,-0.00001438,0.00001016,0.00002027 ,-0.00023640,0.00001312,0.00007139,0.00008387,0.00039091,-0.00014390,0 .00686473,0.00097518,0.00325249,-0.00054449,-0.00019589,0.00015147,0.0 0557951,-0.00007814,0.00221687,0.00378305,-0.00492018,-0.00027805,-0.0 4508393,0.04020890,0.01025488,0.00286563,0.00831435,0.00055952,-0.0035 1717,-0.00061791,-0.00128138,0.00000094,0.00000006,0.00000016,0.000001 77,-0.00000039,-0.00000008,0.00000142,-0.00000020,-0.00000126,0.000000 28,-0.00000025,0.00000016,0.00000823,0.00000306,0.00000741,0.00001281, -0.00000276,-0.00000081,-0.00105956,-0.00009446,-0.00029905,0.00055221 ,-0.00022835,0.00006440,0.03428104,0.00000104,-0.00003668,-0.00001195, -0.00001829,-0.00002778,-0.00002594,0.00002481,0.00001980,0.00002476,0 .00001338,-0.00000604,-0.00001048,0.00000345,0.00000474,0.00000495,0.0 0000227,-0.00000051,-0.00000810,0.00000524,-0.00000617,0.00000097,0.00 000444,-0.00000056,-0.00000950,0.00001664,-0.00000560,-0.00002509,-0.0 0008179,0.00025074,0.00038607,-0.00000081,-0.00000221,0.00000260,-0.00 000134,0.00000722,0.00000722,-0.00001003,-0.00000142,0.00001027,-0.000 02793,0.00000538,-0.00002225,0.00003873,0.00000623,0.00002652,-0.00000 281,-0.00000397,-0.00001208,0.00000387,0.00003428,0.00002455,0.0000005 6,-0.00005785,0.00001305,0.00001634,0.00010520,0.00002119,-0.00005383, -0.00007109,-0.00006295,0.00000077,-0.00003093,0.00003403,0.00001298,0 .00000812,-0.00003462,0.00003590,-0.00002358,-0.00018287,-0.00006200,- 0.00028031,0.00034514,0.00096784,0.00138883,-0.00130289,-0.00014225,0. 00072535,0.00006833,-0.00032041,-0.00015968,0.00366927,0.00300234,-0.0 1374539,-0.00508630,0.03979134,-0.34283091,-0.03713006,0.00065775,-0.0 0524174,0.00093883,-0.00015804,0.00012004,-0.00094862,-0.00000100,0.00 000025,-0.00000001,-0.00000183,0.00000128,0.00000079,0.00000166,-0.000 00183,0.00000122,0.00000193,0.00000177,-0.00000721,-0.00000075,-0.0000 0030,-0.00000304,0.00000247,0.00000155,0.00000548,-0.00009246,-0.00007 216,-0.00005563,0.00019906,-0.00069248,-0.00029353,-0.04335770,0.35990 744,-0.00000369,-0.00008378,-0.00001623,-0.00001618,-0.00002920,-0.000 02492,0.00004461,0.00004151,0.00004997,0.00001767,0.00000591,-0.000015 80,0.00000525,0.00000321,0.00000601,0.00000157,0.00000078,-0.00000469, 0.00000507,-0.00000302,0.00000098,0.00000406,0.00000060,-0.00000581,-0 .00001903,0.00007679,0.00006903,0.00020039,-0.00039770,-0.00018293,-0. 00000071,-0.00000208,0.00000202,-0.00000115,0.00000423,0.00000488,-0.0 0000920,-0.00000418,0.00000733,-0.00003445,0.00000061,-0.00003679,0.00 005271,0.00000626,0.00003582,-0.00000176,-0.00000523,-0.00001151,-0.00 000316,0.00003857,0.00002082,-0.00000122,-0.00007741,0.00001773,0.0000 2501,0.00014934,0.00003447,-0.00009141,-0.00011141,-0.00010392,-0.0000 0426,-0.00005078,0.00005138,0.00003262,0.00001452,-0.00008575,0.000095 09,-0.00009265,-0.00052080,0.00000006,-0.00129848,0.00056124,0.0032758 4,-0.00105073,-0.00445189,0.00011288,0.00026380,-0.00104349,0.00227375 ,0.00273542,-0.00364465,-0.00330344,0.02528267,0.00632665,0.01042885,- 0.03871671,-0.06383302,0.00356269,-0.02877349,0.00120765,-0.00144874,0 .00082818,0.00135378,-0.00000078,0.00000003,-0.00000007,-0.00000156,0. 00000105,0.00000058,0.00000259,-0.00000205,0.00000115,0.00000301,0.000 00162,-0.00001017,0.00000458,-0.00000586,-0.00001187,0.00000462,-0.000 00863,0.00001232,-0.00030508,-0.00008657,0.00005526,-0.00009818,0.0013 2518,0.00039554,-0.01345359,0.03979865,0.06309612,0.00024630,-0.000224 47,0.00011976,-0.00003674,-0.00005481,-0.00004801,0.00000988,0.0000132 7,0.00001540,-0.00000170,-0.00004850,-0.00000194,0.00001517,0.00001120 ,-0.00000854,0.00000158,-0.00000611,-0.00001250,0.00000271,-0.00001220 ,-0.00000197,-0.00000805,-0.00000028,-0.00001065,-0.00036491,0.0007500 5,0.00018815,-0.00016465,0.00006300,-0.00001753,-0.00000023,0.00000037 ,0.00000659,-0.00000188,0.00001100,0.00000799,0.00001179,0.00001314,0. 00002310,-0.00006018,0.00000953,-0.00000325,0.00005310,0.00001455,0.00 005083,-0.00001628,-0.00001398,-0.00002070,0.00001012,0.00006327,0.000 03880,-0.00000050,-0.00011256,0.00002413,0.00001997,0.00020167,0.00004 378,-0.00005100,-0.00010105,-0.00008447,0.00004388,0.00002371,-0.00003 555,-0.00031658,-0.00008676,0.00016382,0.00009078,-0.00024560,-0.00014 034,-0.00327004,-0.00032702,-0.00074981,0.00485788,0.00242500,-0.00357 982,0.00535895,0.00152010,0.00159918,-0.00066985,0.00015564,-0.0001770 8,0.00681817,0.00149938,0.00286103,0.00271448,-0.00528588,0.00605841,- 0.04691712,-0.02424193,0.03569287,0.00031290,-0.00023430,0.00034631,-0 .00000035,0.00000044,0.00000017,-0.00000035,0.00000190,0.00000138,0.00 000668,-0.00000456,-0.00000143,0.00000416,0.00000348,-0.00001556,0.000 02944,0.00000167,0.00004641,-0.00007606,-0.00004387,-0.00003830,0.0004 5936,0.00022386,-0.00012251,-0.00094876,-0.00011790,-0.00024920,-0.004 04962,-0.00047055,-0.00135564,0.03588782,0.00000434,0.00078599,0.00017 491,0.00006372,0.00011350,0.00010006,-0.00014110,-0.00011053,-0.000132 18,-0.00003632,0.00004752,0.00001069,-0.00000962,-0.00001907,-0.000006 35,-0.00000979,0.00000307,0.00002624,-0.00002136,0.00002071,-0.0000012 1,-0.00001540,-0.00000107,0.00002885,-0.00045061,0.00009967,0.00100153 ,0.00002706,-0.00024011,-0.00007587,0.00000344,0.00000656,-0.00001120, 0.00000653,-0.00002382,-0.00002261,0.00001887,0.00000226,-0.00002770,0 .00007557,-0.00001256,-0.00000378,-0.00012514,-0.00009156,-0.00012255, 0.00002411,0.00003487,0.00004763,-0.00001788,-0.00012823,-0.00008200,- 0.00001076,0.00024808,-0.00005889,-0.00009572,-0.00046190,-0.00010511, 0.00028352,0.00033422,0.00030448,-0.00006508,-0.00002637,0.00015816,0. 00027369,0.00030974,-0.00117170,-0.00006633,-0.00003150,0.00013697,-0. 00080431,-0.00022586,0.00175463,-0.00458384,-0.01473021,0.02485177,0.0 0167390,-0.00504578,-0.00228455,0.00019787,-0.00050351,-0.00080313,0.0 0148295,0.00002059,-0.00287793,0.00214251,0.01160538,-0.01122281,-0.02 368203,-0.17372340,0.14139980,0.00011578,0.00064070,-0.00053927,0.0000 0419,-0.00000067,0.,0.00000756,-0.00000502,-0.00000277,-0.00000230,0.0 0000555,-0.00000498,0.00000045,-0.00000564,0.00001989,0.00000908,0.000 02845,-0.00001299,-0.00001649,0.00012585,0.00006879,-0.00020737,-0.000 85543,0.00131600,-0.00012121,0.00005532,0.00006729,-0.00055951,0.00071 226,0.00022311,0.02462330,0.18103539,0.00008958,0.00029158,-0.00005630 ,0.00005356,0.00008398,0.00007780,-0.00006595,-0.00003737,-0.00003880, -0.00002435,0.00006378,0.00003140,-0.00001032,-0.00002016,-0.00000086, -0.00000829,0.00000370,0.00002321,-0.00001740,0.00001911,-0.00000169,- 0.00001560,0.00000225,0.00002622,0.00034059,-0.00226005,-0.00091341,0. 00000822,-0.00023679,-0.00009668,0.00000296,0.00000588,-0.00000850,0.0 0000518,-0.00002246,-0.00001907,0.00002054,-0.00000389,-0.00002221,0.0 0004785,-0.00000342,-0.00004515,-0.00006926,-0.00007316,-0.00008255,0. 00002147,0.00002481,0.00003682,-0.00002676,-0.00008725,-0.00006748,-0. 00001306,0.00015331,-0.00003695,-0.00005352,-0.00027551,-0.00005374,0. 00013385,0.00017450,0.00014322,-0.00006368,-0.00009969,0.00017885,0.00 009747,-0.00005041,-0.00069194,0.00000008,0.00035713,0.00006079,-0.000 78960,0.00028700,-0.00050538,-0.00058998,-0.00260459,0.00778656,0.0015 2445,-0.00164451,0.00088895,-0.00011576,-0.00086930,0.00003279,0.00291 951,-0.00261256,-0.00241821,0.00324620,0.01771119,-0.01524364,0.035262 25,0.14341874,-0.23213416,0.00019186,0.00087316,-0.00073330,0.00000354 ,-0.00000061,0.00000001,0.00000644,-0.00000416,-0.00000195,-0.00000093 ,0.00000416,-0.00000309,0.00000245,-0.00000384,0.00001095,0.00004534,0 .00000466,-0.00006335,-0.00001932,0.00008808,0.00001801,0.00007352,-0. 00041657,0.00039028,-0.00025384,0.00003703,-0.00007593,-0.00134623,-0. 00014813,0.00069716,-0.04061886,-0.15213471,0.24289951,-0.00003730,0.0 0016397,-0.00013619,0.00017225,0.00013342,0.00012932,0.00096130,0.0032 1409,0.00183381,-0.00769320,-0.00248281,0.00100899,-0.00026554,-0.0018 8368,0.00061324,0.00010305,0.00038381,0.00045249,-0.00019973,0.0002291 9,-0.00004068,0.00123002,0.00769065,0.00241155,-0.00001720,-0.00009110 ,-0.00020471,0.00000259,-0.00000585,-0.00001544,-0.00001810,0.00017787 ,-0.00020080,0.00060186,-0.00068937,0.00131340,-0.07013247,-0.07359428 ,-0.01467926,-0.00586911,-0.02753277,-0.00453199,0.00163949,0.00034859 ,0.00078348,0.00007760,-0.00010153,-0.00026189,-0.00002438,-0.00001709 ,0.00002552,-0.00018101,-0.00004609,0.00007662,0.00092246,0.00029046,0 .00057492,-0.00406586,-0.00188353,-0.00304868,0.00081810,-0.00047319,- 0.00141442,-0.00006222,-0.00016106,0.00051145,0.00014817,-0.00001518,- 0.00032895,-0.00005041,0.00018856,0.00014638,0.00000165,0.00001718,-0. 00000873,0.00000509,-0.00001403,-0.00001229,-0.00000282,0.00000118,0.0 0000567,0.00000458,-0.00001251,-0.00001061,0.00000041,0.00000959,-0.00 000941,-0.00000288,0.00000288,0.00000157,-0.00000345,0.00000630,0.0000 1558,-0.00010425,-0.00001730,0.00002266,-0.00006830,-0.00009965,-0.000 14760,0.00008558,0.00005815,0.00014573,0.00000692,0.00002258,0.0000290 5,-0.00034423,0.00021453,0.00064836,0.00000430,-0.00000765,0.00000702, -0.00000099,-0.00000245,0.00000747,0.00000148,0.00000046,-0.00000305,0 .00000190,-0.00000213,-0.00000086,-0.00000067,0.00000878,0.00001107,0. 07617194,0.00001747,0.00002395,-0.00003220,-0.00002635,0.00004402,0.00 003218,0.00294144,-0.00502143,-0.00045219,-0.00028169,0.00087851,-0.00 018549,0.00023990,0.00028066,0.00004941,0.00002486,0.00002739,0.000295 93,0.00018340,0.00074793,0.00139818,-0.00000418,-0.00632357,-0.0034597 4,0.00005709,0.00001661,-0.00014528,0.00000027,0.00000026,0.00000208,0 .00028080,0.00007759,0.00018461,-0.00039826,0.00085359,-0.00001559,-0. 07580625,-0.31145939,-0.04858061,-0.00045971,-0.00224308,0.00076909,-0 .00041804,-0.00011183,-0.00017534,-0.00004363,-0.00003653,-0.00001038, 0.00010168,-0.00012680,0.00000243,0.00006703,0.00028855,-0.00012340,-0 .00037287,-0.00059101,-0.00004157,0.00079935,0.00113907,0.00080590,0.0 0010355,0.00043986,-0.00026439,0.00003555,-0.00007279,0.00029097,-0.00 001795,0.00003848,0.00007929,-0.00001433,-0.00012162,0.00005260,0.0000 0265,-0.00000556,-0.00002100,-0.00000102,-0.00000241,0.00001218,0.0000 0203,-0.00000451,-0.00000482,-0.00000152,0.00000438,0.00000322,0.00000 047,0.00000087,0.00000035,0.00000120,0.00000541,0.00000135,0.00000027, -0.00000090,-0.00000282,-0.00006246,0.00002046,0.00002621,0.00001289,0 .00002929,0.00010550,0.00001599,0.00001240,-0.00001867,-0.00001779,-0. 00001126,0.00002122,-0.00012007,0.00016629,-0.00005276,-0.00000752,0.0 0000130,-0.00000137,-0.00000076,0.,-0.00000154,-0.00000066,-0.00000020 ,0.00000027,-0.00000045,0.00000032,-0.00000041,-0.00000186,0.00000088, -0.00000166,0.07850529,0.33424114,-0.00002937,-0.00002111,0.00017146,0 .00004368,-0.00001331,0.00002227,0.00050592,-0.00009304,0.00009225,0.0 0315085,0.00092858,0.00035443,0.00036807,0.00053834,0.00017205,0.00077 560,-0.00073640,-0.00288607,0.00054396,-0.00117819,0.00365685,-0.00792 404,-0.04228738,-0.01577283,0.00000095,-0.00007712,-0.00005626,0.00000 106,-0.00000495,-0.00000991,-0.00016218,-0.00100904,-0.00034865,-0.000 76018,0.00505708,-0.00272173,-0.01101831,-0.03655305,-0.05593281,-0.00 169639,0.00645130,0.00076905,0.00000594,-0.00032714,0.00027773,0.00000 874,-0.00000021,0.00001500,-0.00006680,0.00004937,-0.00001873,-0.00003 093,-0.00021378,0.00008083,0.00011992,0.00042654,-0.00002692,-0.000601 75,-0.00036276,-0.00063180,0.00008405,0.00072240,-0.00017948,0.0001268 7,-0.00004977,0.00007854,0.00001533,-0.00004777,-0.00002763,-0.0000166 0,0.00005250,-0.00003956,-0.00001337,0.00001642,0.00005008,0.00000450, -0.00000321,-0.00002193,-0.00000205,0.00000197,0.00000746,0.00000559,- 0.00000555,-0.00001685,-0.00000508,0.00000052,0.00000913,0.00000330,-0 .00000986,-0.00002777,-0.00000251,0.00000471,0.00001316,0.00005252,0.0 0007808,0.00004398,0.00003146,-0.00019459,-0.00003834,0.00001401,-0.00 002161,-0.00005422,0.00000964,0.00000542,-0.00001570,0.00033060,-0.000 15242,-0.00010302,0.00000193,-0.00000108,-0.00000065,0.00000024,-0.000 00321,0.00000632,0.00000113,0.00000002,-0.00000170,0.00000333,-0.00000 191,-0.00000324,0.00000623,0.00000839,0.00000546,0.00948085,0.05293622 ,0.06862291,-0.00017741,-0.00011620,0.00001540,-0.00005930,-0.00007416 ,-0.00023287,0.00055304,-0.00002706,0.00063569,0.00360549,0.00153534,- 0.00030091,0.00058000,0.00009174,0.00005473,-0.00001840,-0.00003054,0. 00016536,0.00058455,0.00035921,0.00231251,0.00502023,-0.00623927,0.006 01418,0.00022300,-0.00001192,-0.00050548,-0.00000238,0.00000308,0.0000 0935,-0.00022275,-0.00035425,0.00049124,0.00023223,-0.00028206,-0.0005 3339,-0.12966373,0.09605206,-0.08624180,-0.02259934,0.02031595,-0.0129 2297,-0.00575344,-0.00029079,-0.00040418,0.00023023,0.00079681,0.00076 105,-0.00040318,0.00075116,-0.00035174,-0.00044645,-0.00017861,-0.0003 6132,0.00013733,-0.00101544,-0.00005742,-0.00007814,-0.00082865,-0.000 19660,0.00135146,-0.00077061,-0.00252631,-0.00008903,0.00018689,0.0009 2292,-0.00012000,0.00022824,0.00069989,-0.00006648,-0.00071904,0.00000 268,-0.00001942,-0.00001684,-0.00000543,-0.00000304,0.00001236,0.00002 572,0.00000442,-0.00000991,-0.00001624,-0.00000251,0.00002221,0.000000 90,-0.00000427,-0.00000650,0.00002096,0.00000796,-0.00001360,-0.000014 23,0.00000286,-0.00000280,-0.00000942,-0.00012843,0.00005290,0.0001477 0,-0.00001838,-0.00012455,-0.00019544,-0.00019507,-0.00008516,0.000038 56,0.00015982,-0.00002631,-0.00012865,-0.00004740,-0.00003487,-0.00010 244,-0.00000147,0.00000898,-0.00002432,0.00000124,0.00000337,-0.000007 26,-0.00000079,-0.00000023,0.00000211,-0.00000081,0.00000116,0.0000011 5,0.00000039,-0.00000499,-0.00000528,0.00618340,-0.00533576,0.00663330 ,0.14124401,0.00001146,0.00008650,0.00009020,0.00004131,-0.00003990,0. 00000127,0.00142231,-0.00018178,0.00063993,-0.00015342,0.00094305,-0.0 0041107,0.00004063,0.00015721,-0.00002345,0.00004264,0.00032835,0.0003 4204,-0.00004318,-0.00033307,0.00040708,-0.00502894,0.00661921,-0.0064 8172,-0.00000233,-0.00008903,-0.00013990,0.00000007,-0.00000403,-0.000 00879,-0.00022726,0.00027120,-0.00078329,-0.00045654,0.00018796,-0.000 37575,0.09729651,-0.16134388,0.09582679,-0.00544359,0.00164272,-0.0009 0770,-0.00093413,0.00081436,-0.00017175,0.00013291,-0.00007239,-0.0001 3973,-0.00011372,0.00022246,-0.00007110,-0.00010062,-0.00023638,0.0000 2376,0.00020491,0.00027095,0.00030344,-0.00124254,-0.00087999,-0.00108 277,0.00016598,-0.00031901,-0.00071523,0.00018444,0.00003011,0.0000890 9,0.00002487,-0.00004352,-0.00008251,-0.00000489,0.00005638,-0.0000114 9,-0.00000773,0.00000979,0.00002998,0.00000158,-0.00000252,-0.00001682 ,-0.00000179,0.00000153,0.00000511,0.00000439,-0.00000542,-0.00001385, -0.00000307,0.00000180,0.00000418,-0.00000030,-0.00000951,-0.00001795, -0.00000135,0.00000406,0.00001084,0.00019197,-0.00004036,-0.00004938,0 .00030770,-0.00002006,0.00016868,-0.00008031,0.00001846,0.00002023,0.0 0005575,0.00000240,-0.00005685,0.00005570,-0.00001441,0.00006450,0.000 00559,0.00000013,0.00000106,0.00000155,-0.00000144,0.00000520,0.000001 54,0.00000029,-0.00000146,0.00000291,-0.00000164,-0.00000167,0.0000046 2,0.00000566,0.00000676,0.01746570,-0.01320633,0.01609063,-0.10382134, 0.16517009,-0.00002635,0.00013970,0.00006362,0.00008763,-0.00000349,0. 00009769,0.00050955,-0.00018624,0.00023750,-0.00056170,-0.00007098,0.0 0001221,0.00008192,-0.00020928,0.00002989,0.00030522,0.00067841,-0.001 19994,-0.00304958,-0.00430593,-0.00253741,-0.01341818,0.02375261,-0.02 693261,-0.00000425,-0.00001277,-0.00005721,0.00000123,-0.00000236,-0.0 0000612,0.00066375,0.00036654,-0.00209234,-0.00000248,0.00174256,0.002 20363,-0.08039503,0.08969305,-0.12986322,0.00345300,-0.00454697,0.0044 7950,0.00146039,0.00121842,-0.00035867,0.00024212,-0.00041274,0.000285 37,-0.00017562,0.00005844,0.00010059,0.00004144,-0.00017113,0.00017911 ,-0.00000539,0.00029178,0.00009332,-0.00043942,-0.00047375,-0.00036577 ,-0.00013308,-0.00056545,0.00119901,-0.00018759,-0.00010669,0.00009833 ,-0.00000131,0.00001772,-0.00007280,-0.00000545,0.00004731,0.00000522, -0.00000114,0.00001293,0.00002350,0.00000124,0.00000089,-0.00001528,-0 .00000110,0.00000588,0.00000378,0.00000152,-0.00000464,-0.00000504,-0. 00000051,0.00000074,0.00000153,-0.00000066,-0.00001060,-0.00000385,-0. 00000172,0.00000288,0.00000700,0.00051040,-0.00035940,-0.00032798,-0.0 0021958,-0.00053832,-0.00016859,0.00008681,0.00000208,-0.00009333,0.00 005347,0.00000698,-0.00005655,0.00013851,-0.00001585,0.00000239,0.0000 0334,-0.00000106,-0.00000129,0.00000045,-0.00000125,0.00000384,0.00000 055,0.00000016,-0.00000105,0.00000067,-0.00000075,-0.00000038,-0.00000 071,0.00000510,0.00000634,0.00479933,-0.00347798,0.00448683,0.08618832 ,-0.10256653,0.15053922\\0.00011072,-0.00007798,-0.00034248,-0.0000203 4,-0.00002728,-0.00002829,-0.00013343,0.00013380,-0.00016648,0.0036820 5,0.00001619,0.00035582,-0.00364164,-0.00048054,-0.00014810,0.00001546 ,-0.00017930,-0.00010969,0.00002630,0.00020660,-0.00040666,0.00010705, -0.00028909,0.00032441,-0.00000652,-0.00000492,-0.00004800,-0.00000174 ,0.00000125,0.00000652,-0.00008791,-0.00034336,0.00093811,0.00001276,0 .00088390,-0.00036284,-0.00065764,-0.00016359,-0.00020959,-0.00010824, 0.00073107,-0.00018757,0.00015682,-0.00004213,0.00010103,-0.00001733,0 .00046456,0.00012060,-0.00012847,-0.00011681,-0.00015511,0.00034024,-0 .00032280,0.00032221,0.00005763,0.00017577,0.00004388,-0.00005120,0.00 010003,0.00002156,0.00002479,-0.00034112,-0.00007516,-0.00004051,-0.00 012072,0.00028035,0.00008646,0.00055145,-0.00037258,-0.00005194,0.0000 3096,0.00019344,0.00007272,-0.00013497,-0.00019059,-0.00004067,0.00037 539,-0.00001425,0.00002294,0.00031093,-0.00019437,-0.00005890,0.000071 24,0.00020171,0.00001948,-0.00030856,0.00002297,0.00000623,-0.00029537 ,0.00011583,0.00000785,-0.00000927,-0.00002414,0.00003583,0.00018357,- 0.00045170,0.00005044,-0.00049177,0.00005987,-0.00006953,-0.00043494,- 0.00010891,-0.00029298,0.00023931,-0.00027688,-0.00004639,0.00023042,0 .00011971,-0.00009772,-0.00040526,0.00035446,0.00006027,-0.00048447,-0 .00006703,-0.00005245,-0.00031015,0.00032899,-0.00005295,0.00044314,0. 00003909,0.00002367,0.00033123,-0.00022188,0.00033992,0.00012951,0.000 07578,0.00039887,-0.00022596,0.00013597\\\@ THE SCIENTIFIC THEORIST IS NOT TO BE ENVIED. FOR NATURE, OR MORE PRECISELY EXPERIMENT, IS AN INEXORABLE AND NOT VERY FRIENDLY JUDGE OF HIS WORK. IT NEVER SAYS "YES" TO A THEORY. IN THE MOST FAVORABLE CASES IT SAYS "MAYBE", AND IN THE GREAT MAJORITY OF CASES SIMPLY "NO"... PROBABLY EVERY THEORY WILL SOME DAY EXPERIENCE ITS "NO" - MOST THEORIES, SOON AFTER CONCEPTION. -- A.EINSTEIN, NOV 11, 1922. Job cpu time: 0 days 4 hours 3 minutes 0.6 seconds. Elapsed time: 0 days 1 hours 0 minutes 59.3 seconds. File lengths (MBytes): RWF= 1308 Int= 0 D2E= 0 Chk= 19 Scr= 1 Normal termination of Gaussian 16 at Wed Jul 26 08:30:12 2023.