Entering Gaussian System, Link 0=g16 Input=Isavuconazole_GALJUC_2113413_PW6B95D3_opt_IR.com Output=Isavuconazole_GALJUC_2113413_PW6B95D3_opt_IR.log Initial command: /opt/g16/l1.exe "/tmp/Gau-44082.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= 44084. 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 8-Mar-2024 ****************************************** %mem=3000mb %nproc=4 Will use up to 4 processors via shared memory. --------------------------------- # PW6B95D3/6-31g(d,p) nosymm freq --------------------------------- 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=-76,140=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 -2.905 8.06424 6.67567 F -1.75209 11.0042 3.03586 F 2.29631 9.2588 -0.10003 O 1.1823 8.3231 4.44376 N 1.08887 11.26155 5.00216 N 2.34539 11.04702 5.44034 N 2.23018 12.96597 4.24775 N -0.46917 7.32127 6.50481 N 3.56077 4.03188 12.06019 C 2.98583 12.09576 4.9631 C 1.04337 12.40334 4.29051 C 0.04121 10.30315 5.22938 C 0.0607 9.13144 4.21926 C -1.25124 8.29939 4.3784 C -1.23637 7.07098 3.46812 C -1.41665 7.87252 5.80572 C -2.17277 7.35091 8.05104 C -0.87259 7.02249 7.7859 C 2.81305 4.54258 11.33733 C 0.07391 6.39368 8.71218 C -0.17436 6.35332 10.08697 C 0.71754 5.74644 10.94945 C 1.88825 5.17012 10.44822 C 2.1502 5.21359 9.07695 C 1.2495 5.8201 8.2214 C 0.16908 9.64218 2.79499 C 1.20709 9.217 1.97298 C 1.28929 9.68402 0.67407 C 0.36948 10.57038 0.14497 C -0.6667 11.00705 0.95791 C -0.74467 10.53791 2.25333 H 4.03724 12.24222 5.14432 H 0.13376 12.7701 3.84409 H 1.06442 7.91494 5.3148 H -2.08782 8.94521 4.10964 H -2.73258 7.19183 8.95606 H -1.06406 6.81717 10.49009 H 0.52216 5.72115 12.01169 H 3.05675 4.76969 8.69177 H 1.44445 5.84969 7.15963 H 1.94572 8.53285 2.35865 H 0.47246 10.91154 -0.87415 H -1.40921 11.70714 0.60447 H -0.91099 10.82617 5.18306 H 0.17414 9.90105 6.23136 H -0.36985 6.455 3.69907 H -2.13862 6.478 3.60878 H -1.17804 7.37289 2.42391 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 -2.905003 8.064238 6.675673 2 9 0 -1.752087 11.004201 3.035856 3 9 0 2.296313 9.258796 -0.100034 4 8 0 1.182298 8.323105 4.443765 5 7 0 1.088874 11.261548 5.002158 6 7 0 2.345385 11.047025 5.440343 7 7 0 2.230184 12.965967 4.247755 8 7 0 -0.469174 7.321272 6.504812 9 7 0 3.560772 4.031875 12.060191 10 6 0 2.985825 12.095759 4.963096 11 6 0 1.043372 12.403341 4.290505 12 6 0 0.041209 10.303145 5.229384 13 6 0 0.060701 9.131445 4.219258 14 6 0 -1.251241 8.299385 4.378404 15 6 0 -1.236366 7.070979 3.468120 16 6 0 -1.416648 7.872524 5.805723 17 6 0 -2.172769 7.350911 8.051038 18 6 0 -0.872587 7.022493 7.785896 19 6 0 2.813049 4.542581 11.337335 20 6 0 0.073906 6.393682 8.712180 21 6 0 -0.174359 6.353321 10.086974 22 6 0 0.717542 5.746438 10.949453 23 6 0 1.888253 5.170115 10.448217 24 6 0 2.150197 5.213589 9.076947 25 6 0 1.249503 5.820102 8.221399 26 6 0 0.169080 9.642185 2.794994 27 6 0 1.207092 9.217003 1.972980 28 6 0 1.289286 9.684024 0.674068 29 6 0 0.369475 10.570379 0.144972 30 6 0 -0.666697 11.007048 0.957913 31 6 0 -0.744668 10.537906 2.253330 32 1 0 4.037243 12.242218 5.144321 33 1 0 0.133764 12.770097 3.844093 34 1 0 1.064421 7.914943 5.314798 35 1 0 -2.087819 8.945207 4.109638 36 1 0 -2.732583 7.191830 8.956063 37 1 0 -1.064056 6.817174 10.490091 38 1 0 0.522158 5.721150 12.011692 39 1 0 3.056753 4.769686 8.691772 40 1 0 1.444446 5.849693 7.159628 41 1 0 1.945717 8.532847 2.358650 42 1 0 0.472459 10.911542 -0.874149 43 1 0 -1.409210 11.707138 0.604465 44 1 0 -0.910991 10.826166 5.183064 45 1 0 0.174140 9.901055 6.231360 46 1 0 -0.369853 6.455000 3.699069 47 1 0 -2.138621 6.477998 3.608782 48 1 0 -1.178043 7.372887 2.423914 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 S 0.000000 2 F 4.818803 0.000000 3 F 8.625014 5.410156 0.000000 4 O 4.664167 4.216764 4.771023 0.000000 5 N 5.382796 3.464626 5.612601 2.992487 0.000000 6 N 6.163573 4.751070 5.822023 3.125009 1.347904 7 N 7.502791 4.601707 5.714084 4.763681 2.185579 8 N 2.552343 5.219529 7.417945 2.824702 4.495693 9 N 9.330554 12.580875 13.296264 9.059897 10.401648 10 C 7.340840 5.230063 5.844576 4.213708 2.072645 11 C 6.332970 3.368431 5.543903 4.085476 1.346184 12 C 3.972986 2.918725 5.880379 2.416576 1.437974 13 C 3.996036 2.862491 4.865230 1.400642 2.491468 14 C 2.840364 3.060933 5.793273 2.434532 3.826175 15 C 3.749575 3.990370 5.477051 2.893033 5.031986 16 C 1.734580 4.194292 7.112369 2.968581 4.290553 17 C 1.713660 6.218967 9.489610 5.021360 5.935239 18 C 2.539398 6.260224 8.788110 4.133278 5.437473 19 C 8.174918 11.467674 12.382371 8.029509 9.394241 20 C 3.976433 7.537360 9.529065 4.813582 6.204075 21 C 4.692614 8.592914 10.877552 6.129141 7.179262 22 C 6.063021 9.816728 11.701296 7.012787 8.119399 23 C 6.751543 10.110971 11.320310 6.818589 8.210001 24 C 6.280714 9.233298 10.030056 5.663241 7.369404 25 C 4.968434 7.923022 9.064584 4.532114 6.324449 26 C 5.196111 2.367274 3.612934 2.342014 2.887894 27 C 6.352442 3.616700 2.342122 2.627631 3.656509 28 C 7.499002 4.070732 1.339461 4.009260 4.610977 29 C 7.723536 3.611985 2.343711 4.918388 4.958579 30 C 6.809033 2.344339 3.599315 4.772158 4.416188 31 C 5.508466 1.358187 4.052408 3.662860 3.382542 32 H 8.245928 6.284477 6.279722 4.899075 3.110435 33 H 6.276708 2.707041 5.706311 4.608120 2.128161 34 H 4.198880 4.761282 5.713484 0.969118 3.361266 35 H 2.833449 2.346312 6.086073 3.345492 4.031551 36 H 2.447653 7.109458 10.562909 6.080042 6.841016 37 H 4.415205 8.577307 11.375603 6.623594 7.382749 38 H 6.760813 10.660603 12.741918 8.029911 8.952695 39 H 7.103609 9.694509 9.900820 5.846874 7.722051 40 H 4.904705 7.334321 8.065380 3.682716 5.836890 41 H 6.510435 4.498884 2.587479 2.230360 3.894628 42 H 8.747240 4.499481 2.580168 5.956852 5.918907 43 H 7.236552 2.554084 4.496843 5.736534 5.077271 44 H 3.719168 2.312929 6.376094 3.345704 2.054688 45 H 3.612815 3.890826 6.708403 2.588784 2.049053 46 H 4.228097 4.800589 5.422444 2.540386 5.189299 47 H 3.536852 4.578664 6.415356 3.889745 5.936377 48 H 4.640885 3.726988 4.690215 3.248680 5.187286 6 7 8 9 10 6 N 0.000000 7 N 2.262272 0.000000 8 N 4.789162 6.651573 0.000000 9 N 9.721722 11.942471 7.610705 0.000000 10 C 1.318245 1.356454 6.091768 10.757581 0.000000 11 C 2.203851 1.314115 5.746162 11.695587 2.078487 12 C 2.430450 3.584108 3.283104 9.918471 3.457620 13 C 3.221844 4.405795 2.963318 9.986808 4.230461 14 C 4.648974 5.823605 2.467781 10.018830 5.719008 15 C 5.703293 6.883000 3.142090 10.299144 6.731290 16 C 4.935975 6.455216 1.300120 8.868126 6.158531 17 C 6.394584 8.085778 2.300854 7.743565 7.658986 18 C 5.661609 7.580931 1.375931 6.846026 6.970909 19 C 8.792100 11.025212 6.468956 1.158633 9.884901 20 C 6.125205 8.232591 2.455164 5.380106 7.419473 21 C 7.069027 9.143598 3.722329 4.820156 8.319644 22 C 7.816418 9.966064 4.862431 3.501060 9.016399 23 C 7.734717 9.966843 5.073005 2.586768 8.902570 24 C 6.876915 9.133830 4.233121 3.505127 8.061409 25 C 6.021292 8.234984 2.855527 4.824525 7.281155 26 C 3.702398 4.172073 4.422302 11.350023 4.319114 27 C 4.082560 4.502893 5.190488 11.583488 4.515741 28 C 5.068579 4.942436 6.532408 12.913181 5.204851 29 C 5.672069 5.102343 7.190799 13.960976 5.690904 30 C 5.400594 4.801286 6.662736 13.776252 5.528806 31 C 4.468185 4.327003 5.338327 12.531551 4.866859 32 H 2.092486 2.143153 6.809878 10.745511 1.076927 33 H 3.226183 2.143895 6.093657 12.474180 3.137061 34 H 3.386232 5.292488 2.029900 8.173758 4.614619 35 H 5.083474 5.901757 3.315725 10.920563 6.032929 36 H 7.280699 8.951976 3.338923 7.695924 8.525989 37 H 7.417269 9.360899 4.060843 5.622467 8.649432 38 H 8.652845 10.755624 5.819696 3.476949 9.817739 39 H 7.105126 9.360103 4.870888 3.484917 8.220669 40 H 5.547963 7.729020 2.501254 5.639044 6.798084 41 H 3.997206 4.827234 4.948765 10.816055 4.534237 42 H 6.587793 5.791732 8.259890 14.972129 6.464736 43 H 6.157796 5.301264 7.411719 14.657559 6.202018 44 H 3.273982 3.914145 3.771804 10.651475 4.104318 45 H 2.579391 4.189951 2.672809 8.938222 3.785603 46 H 5.611706 7.032350 2.938109 9.551424 6.684048 47 H 6.658598 7.847833 3.447485 10.482982 7.723558 48 H 5.917151 6.798893 4.142329 11.246180 6.789018 11 12 13 14 15 11 C 0.000000 12 C 2.509312 0.000000 13 C 3.417019 1.547131 0.000000 14 C 4.702705 2.531728 1.561680 0.000000 15 C 5.857270 3.896299 2.547962 1.528993 0.000000 16 C 5.373629 2.892306 2.506853 1.498936 2.477774 17 C 7.071932 4.645333 4.779250 3.903467 4.685974 18 C 6.696431 4.258339 4.247306 3.658529 4.333345 19 C 10.704257 8.841621 8.905061 8.891499 9.204081 20 C 7.523767 5.235918 5.261356 4.916232 5.447542 21 C 8.466680 6.264484 6.496408 6.126550 6.741819 22 C 9.421365 7.344399 7.562092 7.319312 7.844903 23 C 9.536813 7.549555 7.604736 7.516075 7.880246 24 C 8.707906 6.719758 6.581241 6.570253 6.810114 25 C 7.670297 5.523568 5.328731 5.212406 5.507985 26 C 3.259589 2.525762 1.516947 2.515474 3.006572 27 C 3.943409 3.625349 2.523350 3.559703 3.579295 28 C 4.531421 4.763603 3.792511 4.700384 4.584065 29 C 4.582503 5.102001 4.331937 5.070116 5.086043 30 C 3.997517 4.386579 3.831888 4.401464 4.703010 31 C 3.290443 3.087007 2.547867 3.127864 3.706355 32 H 3.117407 4.442469 5.132790 6.640830 7.573791 33 H 1.077581 2.830804 3.658671 4.710732 5.873547 34 H 4.603839 2.599571 1.920297 2.527236 3.068569 35 H 4.668593 2.762352 2.159361 1.090497 2.156212 36 H 7.948906 5.591274 5.831112 4.937207 5.689533 37 H 8.607054 6.406921 6.778221 6.291638 7.028669 38 H 10.224484 8.199128 8.518514 8.249808 8.826498 39 H 9.038669 7.190327 6.928539 7.044340 7.142364 40 H 7.165405 5.052539 4.618487 4.582895 4.722872 41 H 4.418938 3.873270 2.715413 3.788727 3.673368 42 H 5.406020 6.148922 5.411200 6.114231 6.043617 43 H 4.481824 5.046265 4.675635 5.087273 5.452006 44 H 2.665272 1.087374 2.178345 2.673550 4.141054 45 H 3.283888 1.087797 2.157249 2.833814 4.199328 46 H 6.142456 4.161617 2.760314 2.154088 1.087939 47 H 6.760142 4.691456 3.500068 2.167305 1.088796 48 H 5.807264 4.235994 2.801834 2.164206 1.088539 16 17 18 19 20 16 C 0.000000 17 C 2.425951 0.000000 18 C 2.222530 1.366979 0.000000 19 C 7.718652 6.598852 5.687407 0.000000 20 C 3.585557 2.530009 1.466034 4.221483 0.000000 21 C 4.709604 3.022228 2.496052 3.710362 1.397613 22 C 5.960954 4.396481 3.763631 2.447626 2.416316 23 C 6.306991 5.195598 4.259283 1.428138 2.793348 24 C 5.522067 4.930382 3.751822 2.449281 2.415918 25 C 4.142015 3.752911 2.477635 3.712922 1.397100 26 C 3.835456 6.193561 5.732099 10.294082 6.750920 27 C 4.835448 7.200594 6.552170 10.588695 7.394056 28 C 6.077622 8.476375 7.895286 11.935726 8.770105 29 C 6.520181 8.906956 8.515511 12.945053 9.535681 30 C 5.821420 8.120838 7.908250 12.713393 9.053193 31 C 4.491694 6.768296 6.556202 11.450782 7.717603 32 H 7.019730 8.422478 7.637400 9.956731 7.914735 33 H 5.498908 7.237821 7.041698 11.446365 8.022501 34 H 2.529528 4.276043 3.264168 7.120497 3.851955 35 H 2.116087 4.252485 4.323019 9.779633 5.689176 36 H 3.481332 1.075997 2.203985 6.591131 2.927951 37 H 4.814705 2.731867 2.718729 4.574225 2.152968 38 H 6.848462 5.060191 4.636395 2.663074 3.397059 39 H 6.161834 5.866955 4.619033 2.666453 3.396344 40 H 3.756430 4.016530 2.671388 4.586377 2.141196 41 H 4.860436 7.124758 6.299127 9.863634 6.960391 42 H 7.577931 9.966659 9.588025 13.970053 10.605075 43 H 6.461997 8.660900 8.591089 13.577660 9.806502 44 H 3.060620 4.679183 4.609136 9.551281 5.750791 45 H 2.612798 3.914389 3.434871 7.857994 4.297229 46 H 2.746479 4.795080 4.156554 8.493016 5.033087 47 H 2.700462 4.527337 4.398590 9.380587 5.563008 48 H 3.426836 5.714410 5.382093 10.168015 6.486024 21 22 23 24 25 21 C 0.000000 22 C 1.381182 0.000000 23 C 2.405170 1.397838 0.000000 24 C 2.778975 2.417169 1.396741 0.000000 25 C 2.406673 2.780411 2.406076 1.382415 0.000000 26 C 8.006719 9.053886 9.029219 7.937268 6.724694 27 C 8.714699 9.636470 9.416524 8.208722 7.112206 28 C 10.091513 11.018848 10.782770 9.556900 8.479014 29 C 10.813082 11.837583 11.731428 10.566284 9.411071 30 C 10.258622 11.376335 11.430810 10.364255 9.128771 31 C 8.899550 10.035875 10.144044 9.126354 7.864620 32 H 8.766215 9.322828 9.097478 8.272129 7.647449 33 H 8.957875 10.007933 10.220196 9.410078 8.289036 34 H 5.171741 6.047485 5.879181 4.757099 3.587610 35 H 6.790269 8.055138 8.380815 7.520632 6.149031 36 H 2.920029 4.238647 5.259846 5.269686 4.275322 37 H 1.081306 2.128751 3.380930 3.860037 3.390232 38 H 2.142269 1.080355 2.148094 3.394239 3.860718 39 H 3.859349 3.394566 2.147285 1.080395 2.142610 40 H 3.382828 3.860288 3.387272 2.139819 1.079924 41 H 8.304941 9.114515 8.760843 7.496319 6.497348 42 H 11.888733 12.904880 12.773583 11.589037 10.452538 43 H 10.959297 12.127316 12.268064 11.252489 9.987173 44 H 6.678121 7.855380 8.218790 7.485601 6.241786 45 H 5.251060 6.310034 6.565201 5.828765 4.665923 46 H 6.391705 7.365633 7.231941 6.067399 4.845294 47 H 6.770586 7.910645 8.043889 7.063534 5.760942 48 H 7.795472 8.883884 8.868135 7.746134 6.474176 26 27 28 29 30 26 C 0.000000 27 C 1.390667 0.000000 28 C 2.398945 1.382764 0.000000 29 C 2.815017 2.423807 1.382613 0.000000 30 C 2.436440 2.783111 2.378409 1.387518 0.000000 31 C 1.389479 2.373341 2.712960 2.384857 1.379956 32 H 5.219406 5.217191 5.837704 6.421920 6.417064 33 H 3.299347 4.156630 4.572542 4.310199 3.475502 34 H 3.183459 3.589354 4.971578 5.853323 5.616078 35 H 2.703268 3.936448 4.873790 4.939439 4.025437 36 H 7.237587 8.269572 9.538234 9.933412 9.099131 37 H 8.289501 9.135561 10.493396 11.097885 10.419950 38 H 10.022310 10.652036 12.034724 12.820194 12.310163 39 H 8.176301 8.266924 9.568607 10.673204 10.610435 40 H 5.921113 6.188411 7.535825 8.523253 8.337656 41 H 2.139501 1.078136 2.143345 3.396534 3.861145 42 H 3.894344 3.393714 2.137986 1.079632 2.159456 43 H 3.399036 3.862466 3.373383 2.160341 1.079989 44 H 2.875977 4.168971 5.145557 5.204555 4.236071 45 H 3.446107 4.434943 5.672226 6.126195 5.453391 46 H 3.356479 3.618674 4.725460 5.487673 5.321954 47 H 3.999977 4.622964 5.535494 5.919131 5.450317 48 H 2.664987 3.048438 3.806708 4.220467 3.951931 31 32 33 34 35 31 C 0.000000 32 H 5.842019 0.000000 33 H 2.878341 4.148059 0.000000 34 H 4.418747 5.252813 5.157675 0.000000 35 H 2.790452 7.032584 4.431222 3.528523 0.000000 36 H 7.750784 9.266409 8.091060 5.310268 5.194024 37 H 9.043787 9.166876 9.002297 5.702558 6.803440 38 H 10.955894 10.101531 10.795748 7.067897 8.924628 39 H 9.443342 8.329736 9.800532 5.026528 8.055901 40 H 7.130450 7.186685 7.784770 2.795188 5.600138 41 H 3.357011 5.088603 4.841901 3.145997 4.416493 42 H 3.376704 7.120419 5.082396 6.901673 5.937982 43 H 2.127786 7.110587 3.742438 6.533516 4.513869 44 H 2.948576 5.147011 2.581322 3.520629 2.464787 45 H 4.132131 4.646102 3.732570 2.361637 3.245275 46 H 4.347501 7.416410 6.336806 2.607519 3.053048 47 H 4.501467 8.586350 6.693998 3.903176 2.518046 48 H 3.199103 7.636112 5.733029 3.698605 2.478215 36 37 38 39 40 36 H 0.000000 37 H 2.297301 0.000000 38 H 4.700331 2.456138 0.000000 39 H 6.281166 4.940367 4.283845 0.000000 40 H 4.740895 4.280255 4.940614 2.472532 0.000000 41 H 8.198212 8.838699 10.154476 7.450115 5.522678 42 H 10.988249 12.176645 13.891995 11.657951 9.545085 43 H 9.585850 11.034332 13.026399 11.553251 9.242466 44 H 5.546361 6.652818 8.645534 8.045805 5.849801 45 H 4.817981 5.401874 7.141776 6.379187 4.346135 46 H 5.810456 6.836013 8.392492 6.285618 3.953928 47 H 5.427316 6.972958 8.846551 7.466393 5.083468 48 H 6.717019 8.086101 9.876457 7.999762 5.623571 41 42 43 44 45 41 H 0.000000 42 H 4.275473 0.000000 43 H 4.940529 2.521894 0.000000 44 H 4.625733 6.213779 4.689126 0.000000 45 H 4.473071 7.183198 6.118078 1.769820 0.000000 46 H 3.387630 6.440852 6.183995 4.647813 4.310884 47 H 4.739942 6.824274 6.074691 4.784559 4.893271 48 H 3.332813 5.111111 4.706332 4.428246 4.766202 46 47 48 46 H 0.000000 47 H 1.771220 0.000000 48 H 1.766836 1.768459 0.000000 Symmetry turned off by external request. Stoichiometry C22H17F2N5OS Framework group C1[X(C22H17F2N5OS)] Deg. of freedom 138 Full point group C1 NOp 1 Rotational constants (GHZ): 0.2395154 0.0704340 0.0655754 Standard basis: 6-31G(d,p) (6D, 7F) 554 basis functions, 1011 primitive gaussians, 554 cartesian basis functions 113 alpha electrons 113 beta electrons nuclear repulsion energy 3133.3114276250 Hartrees. NAtoms= 48 NActive= 48 NUniq= 48 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 = 3133.2716250429 Hartrees. One-electron integrals computed using PRISM. NBasis= 554 RedAO= T EigKep= 3.58D-04 NBF= 554 NBsUse= 554 1.00D-06 EigRej= -1.00D+00 NBFU= 554 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. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RPW6B95D3) = -1797.53872180 A.U. after 16 cycles NFock= 16 Conv=0.63D-08 -V/T= 2.0076 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 554 NBasis= 554 NAE= 113 NBE= 113 NFC= 0 NFV= 0 NROrb= 554 NOA= 113 NOB= 113 NVA= 441 NVB= 441 **** Warning!!: The largest alpha MO coefficient is 0.13701032D+02 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 49 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=111111111111111111111111111111111111111111111111 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 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 4.98D-14 1.00D-09 XBig12= 3.26D+02 9.31D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 4.98D-14 1.00D-09 XBig12= 6.41D+01 1.32D+00. 144 vectors produced by pass 2 Test12= 4.98D-14 1.00D-09 XBig12= 8.64D-01 8.50D-02. 144 vectors produced by pass 3 Test12= 4.98D-14 1.00D-09 XBig12= 6.04D-03 8.16D-03. 144 vectors produced by pass 4 Test12= 4.98D-14 1.00D-09 XBig12= 1.74D-05 2.62D-04. 138 vectors produced by pass 5 Test12= 4.98D-14 1.00D-09 XBig12= 2.82D-08 1.08D-05. 61 vectors produced by pass 6 Test12= 4.98D-14 1.00D-09 XBig12= 3.76D-11 3.88D-07. 3 vectors produced by pass 7 Test12= 4.98D-14 1.00D-09 XBig12= 5.00D-14 1.45D-08. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 922 with 147 vectors. Isotropic polarizability for W= 0.000000 275.93 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 -- -89.32349 -24.92191 -24.90034 -19.32312 -14.56430 Alpha occ. eigenvalues -- -14.51448 -14.49408 -14.48182 -14.46097 -10.40901 Alpha occ. eigenvalues -- -10.40762 -10.40252 -10.40102 -10.37896 -10.36882 Alpha occ. eigenvalues -- -10.36682 -10.36580 -10.36426 -10.35482 -10.35284 Alpha occ. eigenvalues -- -10.34888 -10.34599 -10.34427 -10.34412 -10.34253 Alpha occ. eigenvalues -- -10.34201 -10.33726 -10.33721 -10.33347 -10.32712 Alpha occ. eigenvalues -- -10.31512 -8.11125 -6.04797 -6.04452 -6.04187 Alpha occ. eigenvalues -- -1.27847 -1.26277 -1.10749 -1.07718 -1.02913 Alpha occ. eigenvalues -- -0.93863 -0.92999 -0.91527 -0.91242 -0.87308 Alpha occ. eigenvalues -- -0.86009 -0.85591 -0.83443 -0.81031 -0.80278 Alpha occ. eigenvalues -- -0.78777 -0.77022 -0.76663 -0.70353 -0.69334 Alpha occ. eigenvalues -- -0.68011 -0.66283 -0.65996 -0.64257 -0.63401 Alpha occ. eigenvalues -- -0.62642 -0.61407 -0.59262 -0.59096 -0.57301 Alpha occ. eigenvalues -- -0.56234 -0.56179 -0.55232 -0.54282 -0.52674 Alpha occ. eigenvalues -- -0.51595 -0.51134 -0.50522 -0.49914 -0.48983 Alpha occ. eigenvalues -- -0.48777 -0.48739 -0.47575 -0.46896 -0.46785 Alpha occ. eigenvalues -- -0.46521 -0.46329 -0.45447 -0.45012 -0.44703 Alpha occ. eigenvalues -- -0.43677 -0.43135 -0.42896 -0.42348 -0.41013 Alpha occ. eigenvalues -- -0.40770 -0.40361 -0.40263 -0.39403 -0.39053 Alpha occ. eigenvalues -- -0.38104 -0.37752 -0.37266 -0.36978 -0.36617 Alpha occ. eigenvalues -- -0.34856 -0.33986 -0.33075 -0.32410 -0.31176 Alpha occ. eigenvalues -- -0.30877 -0.29643 -0.29582 -0.28646 -0.28491 Alpha occ. eigenvalues -- -0.26833 -0.26235 -0.25673 Alpha virt. eigenvalues -- -0.06757 -0.03937 -0.02080 -0.01806 0.00011 Alpha virt. eigenvalues -- 0.00144 0.02466 0.03315 0.04772 0.07328 Alpha virt. eigenvalues -- 0.07417 0.08531 0.09521 0.10427 0.10763 Alpha virt. eigenvalues -- 0.11405 0.12264 0.13049 0.13336 0.14242 Alpha virt. eigenvalues -- 0.14769 0.15239 0.15839 0.16033 0.16467 Alpha virt. eigenvalues -- 0.16893 0.17484 0.17819 0.18065 0.18368 Alpha virt. eigenvalues -- 0.18592 0.19096 0.19473 0.20506 0.21331 Alpha virt. eigenvalues -- 0.22312 0.22809 0.23418 0.24089 0.25117 Alpha virt. eigenvalues -- 0.26124 0.26171 0.27167 0.27534 0.28233 Alpha virt. eigenvalues -- 0.28857 0.29307 0.30706 0.31896 0.32416 Alpha virt. eigenvalues -- 0.32704 0.34140 0.34184 0.34709 0.35927 Alpha virt. eigenvalues -- 0.36913 0.38189 0.38719 0.40647 0.41120 Alpha virt. eigenvalues -- 0.43364 0.44124 0.44722 0.46498 0.47621 Alpha virt. eigenvalues -- 0.49017 0.49516 0.49911 0.50924 0.51379 Alpha virt. eigenvalues -- 0.52080 0.52554 0.52804 0.53585 0.53797 Alpha virt. eigenvalues -- 0.54219 0.54575 0.55708 0.55765 0.56120 Alpha virt. eigenvalues -- 0.56733 0.57295 0.57816 0.57935 0.58340 Alpha virt. eigenvalues -- 0.58686 0.58901 0.59684 0.60108 0.60559 Alpha virt. eigenvalues -- 0.60772 0.60977 0.62206 0.62516 0.62826 Alpha virt. eigenvalues -- 0.63457 0.63888 0.65008 0.65902 0.66319 Alpha virt. eigenvalues -- 0.66916 0.67862 0.68430 0.68731 0.69412 Alpha virt. eigenvalues -- 0.69666 0.70746 0.71009 0.71843 0.73113 Alpha virt. eigenvalues -- 0.73477 0.73662 0.74506 0.75334 0.76409 Alpha virt. eigenvalues -- 0.77054 0.77532 0.78431 0.78631 0.78790 Alpha virt. eigenvalues -- 0.79732 0.79980 0.80358 0.80823 0.81289 Alpha virt. eigenvalues -- 0.81732 0.82275 0.82595 0.83101 0.83608 Alpha virt. eigenvalues -- 0.84494 0.84884 0.85138 0.85485 0.86213 Alpha virt. eigenvalues -- 0.86755 0.87390 0.87939 0.88162 0.88601 Alpha virt. eigenvalues -- 0.89065 0.89207 0.89909 0.90773 0.91810 Alpha virt. eigenvalues -- 0.92522 0.93318 0.93570 0.93907 0.95425 Alpha virt. eigenvalues -- 0.95710 0.95909 0.96276 0.97907 0.98626 Alpha virt. eigenvalues -- 0.99846 1.00275 1.01398 1.01991 1.03065 Alpha virt. eigenvalues -- 1.04268 1.04508 1.05953 1.07613 1.09687 Alpha virt. eigenvalues -- 1.10743 1.11581 1.12315 1.13184 1.13646 Alpha virt. eigenvalues -- 1.14544 1.14717 1.16478 1.17732 1.18319 Alpha virt. eigenvalues -- 1.19478 1.19958 1.20311 1.21111 1.21538 Alpha virt. eigenvalues -- 1.23405 1.23719 1.25071 1.25965 1.26909 Alpha virt. eigenvalues -- 1.27731 1.29445 1.30867 1.31011 1.32216 Alpha virt. eigenvalues -- 1.33033 1.33892 1.34794 1.35661 1.36324 Alpha virt. eigenvalues -- 1.36551 1.37018 1.37221 1.37319 1.37957 Alpha virt. eigenvalues -- 1.38762 1.39068 1.40108 1.40849 1.41507 Alpha virt. eigenvalues -- 1.43591 1.43970 1.44503 1.46688 1.46853 Alpha virt. eigenvalues -- 1.47772 1.48395 1.49141 1.49853 1.51294 Alpha virt. eigenvalues -- 1.52396 1.52880 1.52994 1.54884 1.55680 Alpha virt. eigenvalues -- 1.57467 1.58387 1.58941 1.60262 1.62819 Alpha virt. eigenvalues -- 1.63718 1.65346 1.66834 1.67865 1.69283 Alpha virt. eigenvalues -- 1.70204 1.73970 1.74766 1.75040 1.75630 Alpha virt. eigenvalues -- 1.76496 1.76768 1.77141 1.79120 1.79353 Alpha virt. eigenvalues -- 1.79849 1.80704 1.81670 1.82065 1.83199 Alpha virt. eigenvalues -- 1.83439 1.84708 1.85373 1.85801 1.86545 Alpha virt. eigenvalues -- 1.87044 1.87892 1.88502 1.90293 1.90578 Alpha virt. eigenvalues -- 1.91688 1.92254 1.92772 1.93062 1.93426 Alpha virt. eigenvalues -- 1.93858 1.94381 1.94946 1.95618 1.96593 Alpha virt. eigenvalues -- 1.96657 1.97027 1.97382 1.98128 1.99147 Alpha virt. eigenvalues -- 2.00548 2.01250 2.01610 2.02954 2.03738 Alpha virt. eigenvalues -- 2.05034 2.06099 2.06275 2.06936 2.08078 Alpha virt. eigenvalues -- 2.08410 2.09493 2.10177 2.10678 2.11281 Alpha virt. eigenvalues -- 2.12679 2.13087 2.14485 2.16011 2.16731 Alpha virt. eigenvalues -- 2.17994 2.18383 2.19907 2.21899 2.22590 Alpha virt. eigenvalues -- 2.23850 2.24344 2.24897 2.25260 2.26524 Alpha virt. eigenvalues -- 2.26887 2.27606 2.28363 2.28866 2.29454 Alpha virt. eigenvalues -- 2.29959 2.31597 2.32144 2.32618 2.33745 Alpha virt. eigenvalues -- 2.34219 2.34682 2.35911 2.36653 2.37408 Alpha virt. eigenvalues -- 2.38829 2.39261 2.39429 2.40445 2.40672 Alpha virt. eigenvalues -- 2.41339 2.43066 2.43471 2.43559 2.45197 Alpha virt. eigenvalues -- 2.46583 2.47636 2.47816 2.48628 2.49769 Alpha virt. eigenvalues -- 2.50363 2.52139 2.52526 2.52740 2.53696 Alpha virt. eigenvalues -- 2.54516 2.55312 2.56841 2.57679 2.57929 Alpha virt. eigenvalues -- 2.58534 2.59134 2.62432 2.62568 2.63056 Alpha virt. eigenvalues -- 2.63517 2.64046 2.64247 2.64836 2.65394 Alpha virt. eigenvalues -- 2.66305 2.68020 2.68573 2.68872 2.70417 Alpha virt. eigenvalues -- 2.71416 2.72299 2.73514 2.74936 2.75687 Alpha virt. eigenvalues -- 2.76338 2.76988 2.79680 2.81399 2.82147 Alpha virt. eigenvalues -- 2.83094 2.83463 2.84174 2.85313 2.87537 Alpha virt. eigenvalues -- 2.89242 2.90060 2.91185 2.92923 2.95824 Alpha virt. eigenvalues -- 2.96690 2.97336 3.01202 3.02329 3.04448 Alpha virt. eigenvalues -- 3.05280 3.05415 3.07706 3.09111 3.12147 Alpha virt. eigenvalues -- 3.15121 3.16323 3.17983 3.19138 3.21349 Alpha virt. eigenvalues -- 3.22379 3.24205 3.26303 3.28716 3.32427 Alpha virt. eigenvalues -- 3.34906 3.35626 3.37414 3.38405 3.43969 Alpha virt. eigenvalues -- 3.45381 3.47375 3.47880 3.49952 3.50261 Alpha virt. eigenvalues -- 3.51167 3.57340 3.58882 3.78159 3.79988 Alpha virt. eigenvalues -- 3.82262 3.92891 4.05033 4.05286 4.06692 Alpha virt. eigenvalues -- 4.09130 4.10549 4.11696 4.12647 4.13148 Alpha virt. eigenvalues -- 4.17813 4.19139 4.24557 4.25533 4.29655 Alpha virt. eigenvalues -- 4.33067 4.36779 4.39597 4.40253 4.41957 Alpha virt. eigenvalues -- 4.45149 4.46836 4.51325 4.61532 4.62744 Alpha virt. eigenvalues -- 4.68008 4.76262 4.83636 4.89134 5.32372 Alpha virt. eigenvalues -- 5.81663 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 S 15.317630 -0.000075 0.000000 -0.000386 -0.000027 -0.000000 2 F -0.000075 9.128339 0.000000 0.000021 -0.001241 -0.000005 3 F 0.000000 0.000000 9.085215 0.000000 -0.000000 0.000000 4 O -0.000386 0.000021 0.000000 8.205894 -0.002767 0.003809 5 N -0.000027 -0.001241 -0.000000 -0.002767 6.751204 0.278929 6 N -0.000000 -0.000005 0.000000 0.003809 0.278929 6.777161 7 N -0.000000 0.000024 0.000000 0.000001 -0.078524 -0.062551 8 N -0.084582 -0.000000 0.000000 -0.013649 0.000076 -0.000016 9 N -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 10 C -0.000000 -0.000002 -0.000000 0.000171 -0.110445 0.465393 11 C -0.000001 -0.000905 -0.000000 -0.000002 0.360209 -0.105621 12 C 0.001420 -0.002479 0.000000 -0.053907 0.267228 -0.054653 13 C 0.000785 0.000603 -0.000033 0.227986 -0.052690 -0.001507 14 C -0.059021 -0.007658 0.000000 -0.048573 0.003692 0.000086 15 C 0.001145 0.000035 -0.000000 -0.006616 -0.000096 0.000000 16 C 0.312106 0.000177 -0.000000 -0.010350 0.000203 -0.000018 17 C 0.313232 -0.000000 0.000000 -0.000035 -0.000000 0.000000 18 C -0.080111 0.000000 0.000000 0.000431 -0.000001 -0.000002 19 C -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 20 C 0.003652 -0.000000 -0.000000 0.000075 -0.000000 -0.000000 21 C 0.000263 -0.000000 0.000000 0.000000 0.000000 0.000000 22 C 0.000001 -0.000000 0.000000 -0.000000 0.000000 0.000000 23 C -0.000001 0.000000 0.000000 0.000000 -0.000000 -0.000000 24 C 0.000018 -0.000000 0.000000 -0.000001 0.000000 0.000000 25 C 0.000073 -0.000000 -0.000000 -0.000096 0.000000 0.000000 26 C -0.000221 -0.060777 0.003641 -0.052662 -0.004565 -0.000532 27 C 0.000003 0.003001 -0.038886 -0.009417 0.000732 0.000240 28 C -0.000000 -0.000063 0.289815 0.000817 -0.000028 -0.000009 29 C 0.000000 0.002964 -0.043916 -0.000009 0.000025 0.000001 30 C -0.000001 -0.044794 0.003365 -0.000061 0.000005 0.000004 31 C -0.000035 0.265750 0.000141 0.003249 -0.001526 0.000055 32 H 0.000000 -0.000000 -0.000000 0.000002 0.005941 -0.052304 33 H -0.000000 0.006116 -0.000000 -0.000002 -0.051178 0.003316 34 H 0.000920 0.000002 -0.000000 0.286533 -0.000308 0.001111 35 H -0.001917 0.014262 -0.000000 0.003690 0.000048 -0.000003 36 H -0.030945 0.000000 0.000000 0.000000 0.000000 0.000000 37 H -0.000048 -0.000000 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 0.000053 -0.000000 0.000000 0.000078 0.000000 -0.000001 41 H 0.000000 -0.000016 -0.000993 0.014856 -0.000075 0.000064 42 H -0.000000 -0.000020 -0.001063 0.000000 0.000000 0.000000 43 H 0.000000 -0.000268 -0.000020 0.000000 0.000000 0.000000 44 H 0.000891 0.009933 -0.000000 0.003709 -0.034515 0.003678 45 H -0.000659 0.000190 -0.000000 -0.004147 -0.030622 0.003550 46 H 0.000117 -0.000004 0.000000 0.013240 -0.000002 -0.000000 47 H 0.002587 -0.000001 -0.000000 0.000261 0.000001 0.000000 48 H -0.000259 0.000003 -0.000001 -0.000110 -0.000000 -0.000000 7 8 9 10 11 12 1 S -0.000000 -0.084582 -0.000000 -0.000000 -0.000001 0.001420 2 F 0.000024 -0.000000 0.000000 -0.000002 -0.000905 -0.002479 3 F 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 4 O 0.000001 -0.013649 -0.000000 0.000171 -0.000002 -0.053907 5 N -0.078524 0.000076 0.000000 -0.110445 0.360209 0.267228 6 N -0.062551 -0.000016 -0.000000 0.465393 -0.105621 -0.054653 7 N 6.710876 0.000000 0.000000 0.454940 0.514817 0.006127 8 N 0.000000 6.947539 -0.000000 -0.000000 -0.000001 -0.008036 9 N 0.000000 -0.000000 6.675380 -0.000000 -0.000000 0.000000 10 C 0.454940 -0.000000 -0.000000 4.680777 -0.122565 0.009057 11 C 0.514817 -0.000001 -0.000000 -0.122565 4.709561 -0.036430 12 C 0.006127 -0.008036 0.000000 0.009057 -0.036430 5.006062 13 C -0.000021 -0.000709 -0.000000 0.000405 -0.004922 0.327551 14 C -0.000000 -0.063406 0.000000 0.000009 0.000069 -0.066648 15 C 0.000000 -0.005897 -0.000000 -0.000000 -0.000000 0.005445 16 C -0.000000 0.413589 0.000000 0.000000 -0.000010 -0.008812 17 C 0.000000 -0.104959 -0.000000 0.000000 0.000000 -0.000162 18 C -0.000000 0.422298 -0.000000 -0.000000 -0.000000 -0.000069 19 C -0.000000 -0.000000 0.880496 0.000000 -0.000000 0.000000 20 C -0.000000 -0.065018 0.000014 0.000000 -0.000000 0.000034 21 C -0.000000 0.004910 -0.000086 -0.000000 0.000000 0.000000 22 C 0.000000 -0.000122 -0.000039 0.000000 0.000000 -0.000000 23 C -0.000000 -0.000013 -0.094898 -0.000000 -0.000000 0.000000 24 C 0.000000 0.000669 0.000015 0.000000 0.000000 -0.000000 25 C 0.000000 -0.007574 -0.000085 0.000000 0.000000 -0.000004 26 C -0.000715 0.000116 0.000000 0.000206 0.003445 -0.069974 27 C -0.000125 -0.000001 -0.000000 0.000317 0.000242 0.002706 28 C 0.000010 0.000000 0.000000 -0.000000 0.000026 -0.000026 29 C 0.000003 0.000000 0.000000 -0.000003 -0.000133 0.000005 30 C -0.000038 -0.000000 0.000000 -0.000006 0.000117 -0.000162 31 C -0.000118 0.000001 0.000000 0.000017 0.002589 -0.002334 32 H -0.044736 0.000000 -0.000000 0.403113 0.006581 -0.000172 33 H -0.028492 0.000000 0.000000 0.005913 0.383459 0.002655 34 H 0.000001 0.043555 0.000000 0.000002 0.000020 -0.004998 35 H 0.000000 0.004528 -0.000000 -0.000000 -0.000013 -0.002662 36 H 0.000000 0.004661 0.000000 0.000000 0.000000 -0.000000 37 H -0.000000 0.000020 -0.000001 0.000000 -0.000000 0.000000 38 H 0.000000 0.000001 0.000584 0.000000 -0.000000 0.000000 39 H 0.000000 -0.000000 0.000544 0.000000 0.000000 -0.000000 40 H -0.000000 0.010886 -0.000000 -0.000000 -0.000000 0.000004 41 H 0.000000 0.000002 -0.000000 0.000033 -0.000018 0.000532 42 H -0.000000 0.000000 0.000000 0.000000 -0.000001 -0.000000 43 H -0.000000 0.000000 0.000000 -0.000000 -0.000008 0.000004 44 H 0.000245 0.000259 0.000000 -0.000319 -0.001070 0.362935 45 H -0.000214 0.003579 -0.000000 0.000025 0.003877 0.368986 46 H 0.000000 0.005087 -0.000000 -0.000000 -0.000000 0.000506 47 H 0.000000 -0.000349 0.000000 -0.000000 0.000000 -0.000070 48 H -0.000000 0.000144 -0.000000 -0.000000 0.000001 0.000081 13 14 15 16 17 18 1 S 0.000785 -0.059021 0.001145 0.312106 0.313232 -0.080111 2 F 0.000603 -0.007658 0.000035 0.000177 -0.000000 0.000000 3 F -0.000033 0.000000 -0.000000 -0.000000 0.000000 0.000000 4 O 0.227986 -0.048573 -0.006616 -0.010350 -0.000035 0.000431 5 N -0.052690 0.003692 -0.000096 0.000203 -0.000000 -0.000001 6 N -0.001507 0.000086 0.000000 -0.000018 0.000000 -0.000002 7 N -0.000021 -0.000000 0.000000 -0.000000 0.000000 -0.000000 8 N -0.000709 -0.063406 -0.005897 0.413589 -0.104959 0.422298 9 N -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 10 C 0.000405 0.000009 -0.000000 0.000000 0.000000 -0.000000 11 C -0.004922 0.000069 -0.000000 -0.000010 0.000000 -0.000000 12 C 0.327551 -0.066648 0.005445 -0.008812 -0.000162 -0.000069 13 C 4.963497 0.317498 -0.041938 -0.032787 -0.000011 0.000415 14 C 0.317498 5.185282 0.357297 0.321438 0.002664 0.005271 15 C -0.041938 0.357297 4.957510 -0.056200 -0.000027 0.000049 16 C -0.032787 0.321438 -0.056200 5.145112 -0.064747 -0.058627 17 C -0.000011 0.002664 -0.000027 -0.064747 5.415572 0.515001 18 C 0.000415 0.005271 0.000049 -0.058627 0.515001 4.687436 19 C -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000002 20 C -0.000031 -0.000092 0.000008 0.013609 -0.072773 0.345320 21 C -0.000000 0.000003 -0.000000 -0.000080 -0.019459 -0.045400 22 C 0.000000 -0.000000 -0.000000 0.000002 0.000205 0.006602 23 C -0.000000 0.000000 0.000000 0.000001 -0.000000 0.000764 24 C 0.000000 -0.000000 -0.000000 -0.000020 -0.000203 0.006949 25 C 0.000006 -0.000028 -0.000005 -0.000122 0.011077 -0.040847 26 C 0.293305 -0.055222 -0.012506 0.006831 0.000000 0.000008 27 C -0.036175 -0.002309 0.001029 -0.000130 -0.000000 -0.000000 28 C 0.005683 -0.000032 -0.000016 0.000001 0.000000 -0.000000 29 C -0.000089 0.000004 0.000019 -0.000000 -0.000000 0.000000 30 C 0.007052 -0.000009 -0.000094 -0.000002 0.000000 0.000000 31 C -0.054865 -0.000640 -0.001933 0.000227 0.000000 0.000000 32 H 0.000004 0.000000 0.000000 -0.000000 -0.000000 0.000000 33 H -0.000113 0.000003 -0.000000 0.000000 -0.000000 -0.000000 34 H -0.026820 -0.006949 0.000301 -0.004822 0.000355 0.000413 35 H -0.026141 0.363083 -0.032676 -0.038118 0.000040 0.000031 36 H 0.000001 -0.000047 0.000001 0.002291 0.360748 -0.005354 37 H 0.000000 0.000000 -0.000000 -0.000007 0.005134 -0.011922 38 H 0.000000 0.000000 -0.000000 -0.000000 0.000004 -0.000186 39 H 0.000000 -0.000000 -0.000000 -0.000000 0.000002 -0.000181 40 H -0.000026 -0.000011 0.000001 -0.000216 0.000422 -0.012668 41 H -0.014946 0.000402 0.000097 -0.000011 0.000000 -0.000000 42 H 0.000006 -0.000000 0.000000 0.000000 0.000000 -0.000000 43 H -0.000151 0.000002 0.000001 -0.000000 0.000000 -0.000000 44 H -0.032646 0.000967 -0.000053 0.000877 -0.000018 -0.000029 45 H -0.033085 -0.008947 -0.000089 0.004489 -0.000017 0.001018 46 H -0.007392 -0.034100 0.386940 -0.009676 -0.000001 0.000078 47 H 0.004798 -0.030224 0.380747 -0.003607 -0.000099 -0.000025 48 H -0.008582 -0.030393 0.382889 0.005898 0.000001 -0.000000 19 20 21 22 23 24 1 S -0.000000 0.003652 0.000263 0.000001 -0.000001 0.000018 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 0.000075 0.000000 -0.000000 0.000000 -0.000001 5 N -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 -0.065018 0.004910 -0.000122 -0.000013 0.000669 9 N 0.880496 0.000014 -0.000086 -0.000039 -0.094898 0.000015 10 C 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 11 C -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 12 C 0.000000 0.000034 0.000000 -0.000000 0.000000 -0.000000 13 C -0.000000 -0.000031 -0.000000 0.000000 -0.000000 0.000000 14 C 0.000000 -0.000092 0.000003 -0.000000 0.000000 -0.000000 15 C 0.000000 0.000008 -0.000000 -0.000000 0.000000 -0.000000 16 C 0.000000 0.013609 -0.000080 0.000002 0.000001 -0.000020 17 C -0.000000 -0.072773 -0.019459 0.000205 -0.000000 -0.000203 18 C 0.000002 0.345320 -0.045400 0.006602 0.000764 0.006949 19 C 4.724110 0.001311 0.005529 -0.040068 0.235600 -0.040099 20 C 0.001311 4.811229 0.541262 -0.024888 -0.023525 -0.026297 21 C 0.005529 0.541262 4.930536 0.508946 -0.035826 -0.049351 22 C -0.040068 -0.024888 0.508946 4.825756 0.542955 -0.031938 23 C 0.235600 -0.023525 -0.035826 0.542955 4.877341 0.539760 24 C -0.040099 -0.026297 -0.049351 -0.031938 0.539760 4.844402 25 C 0.005199 0.502608 -0.062868 -0.047567 -0.033569 0.491187 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 -0.000000 -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 -0.000743 -0.000005 -0.000000 0.000000 0.000023 35 H -0.000000 0.000003 -0.000000 0.000000 0.000000 0.000000 36 H -0.000000 -0.006714 0.002911 0.000066 0.000001 0.000002 37 H -0.000233 -0.038460 0.367263 -0.033584 0.003788 0.000566 38 H -0.006444 0.003139 -0.031729 0.375282 -0.038411 0.004514 39 H -0.006597 0.003118 0.000576 0.004515 -0.039301 0.376688 40 H -0.000206 -0.038201 0.005013 0.000549 0.003739 -0.035197 41 H -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 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 44 H 0.000000 -0.000001 -0.000000 0.000000 -0.000000 0.000000 45 H -0.000000 -0.000058 -0.000003 0.000000 0.000000 0.000000 46 H -0.000000 -0.000007 0.000000 -0.000000 0.000000 0.000000 47 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 48 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 25 26 27 28 29 30 1 S 0.000073 -0.000221 0.000003 -0.000000 0.000000 -0.000001 2 F -0.000000 -0.060777 0.003001 -0.000063 0.002964 -0.044794 3 F -0.000000 0.003641 -0.038886 0.289815 -0.043916 0.003365 4 O -0.000096 -0.052662 -0.009417 0.000817 -0.000009 -0.000061 5 N 0.000000 -0.004565 0.000732 -0.000028 0.000025 0.000005 6 N 0.000000 -0.000532 0.000240 -0.000009 0.000001 0.000004 7 N 0.000000 -0.000715 -0.000125 0.000010 0.000003 -0.000038 8 N -0.007574 0.000116 -0.000001 0.000000 0.000000 -0.000000 9 N -0.000085 0.000000 -0.000000 0.000000 0.000000 0.000000 10 C 0.000000 0.000206 0.000317 -0.000000 -0.000003 -0.000006 11 C 0.000000 0.003445 0.000242 0.000026 -0.000133 0.000117 12 C -0.000004 -0.069974 0.002706 -0.000026 0.000005 -0.000162 13 C 0.000006 0.293305 -0.036175 0.005683 -0.000089 0.007052 14 C -0.000028 -0.055222 -0.002309 -0.000032 0.000004 -0.000009 15 C -0.000005 -0.012506 0.001029 -0.000016 0.000019 -0.000094 16 C -0.000122 0.006831 -0.000130 0.000001 -0.000000 -0.000002 17 C 0.011077 0.000000 -0.000000 0.000000 -0.000000 0.000000 18 C -0.040847 0.000008 -0.000000 -0.000000 0.000000 0.000000 19 C 0.005199 0.000000 -0.000000 -0.000000 -0.000000 0.000000 20 C 0.502608 -0.000000 -0.000000 0.000000 -0.000000 0.000000 21 C -0.062868 -0.000000 0.000000 0.000000 0.000000 -0.000000 22 C -0.047567 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 23 C -0.033569 -0.000000 -0.000000 0.000000 -0.000000 0.000000 24 C 0.491187 -0.000000 -0.000000 0.000000 0.000000 -0.000000 25 C 4.946707 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 26 C -0.000000 5.221045 0.439441 -0.002543 -0.024315 -0.068986 27 C -0.000000 0.439441 5.101503 0.456136 -0.080121 -0.037578 28 C -0.000000 -0.002543 0.456136 4.506279 0.503425 -0.008505 29 C 0.000000 -0.024315 -0.080121 0.503425 5.030670 0.440795 30 C -0.000000 -0.068986 -0.037578 -0.008505 0.440795 4.999155 31 C -0.000000 0.423837 -0.031520 -0.043478 -0.025706 0.525168 32 H 0.000000 0.000003 0.000003 0.000000 -0.000000 0.000000 33 H -0.000000 -0.001585 -0.000087 0.000033 0.000056 -0.000107 34 H 0.000350 0.007328 0.000195 -0.000011 0.000000 0.000003 35 H 0.000000 -0.011431 -0.000142 0.000017 -0.000019 0.000193 36 H -0.000195 -0.000000 0.000000 -0.000000 0.000000 -0.000000 37 H 0.005198 -0.000000 0.000000 0.000000 -0.000000 0.000000 38 H 0.000582 0.000000 -0.000000 -0.000000 0.000000 -0.000000 39 H -0.031352 0.000000 -0.000000 -0.000000 0.000000 -0.000000 40 H 0.373895 -0.000001 0.000000 0.000000 -0.000000 0.000000 41 H -0.000000 -0.028862 0.367374 -0.034649 0.005753 -0.000177 42 H -0.000000 -0.000087 0.006212 -0.030800 0.368026 -0.034024 43 H 0.000000 0.006161 0.000239 0.003186 -0.030911 0.362746 44 H 0.000000 -0.007149 -0.000420 0.000005 -0.000011 0.000317 45 H 0.000001 0.005643 -0.000055 0.000001 -0.000000 0.000001 46 H -0.000013 -0.002061 0.000640 0.000005 -0.000000 0.000003 47 H 0.000000 0.000045 0.000020 0.000002 -0.000000 -0.000001 48 H 0.000000 0.008898 0.000978 -0.000080 -0.000014 -0.000086 31 32 33 34 35 36 1 S -0.000035 0.000000 -0.000000 0.000920 -0.001917 -0.030945 2 F 0.265750 -0.000000 0.006116 0.000002 0.014262 0.000000 3 F 0.000141 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 4 O 0.003249 0.000002 -0.000002 0.286533 0.003690 0.000000 5 N -0.001526 0.005941 -0.051178 -0.000308 0.000048 0.000000 6 N 0.000055 -0.052304 0.003316 0.001111 -0.000003 0.000000 7 N -0.000118 -0.044736 -0.028492 0.000001 0.000000 0.000000 8 N 0.000001 0.000000 0.000000 0.043555 0.004528 0.004661 9 N 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 10 C 0.000017 0.403113 0.005913 0.000002 -0.000000 0.000000 11 C 0.002589 0.006581 0.383459 0.000020 -0.000013 0.000000 12 C -0.002334 -0.000172 0.002655 -0.004998 -0.002662 -0.000000 13 C -0.054865 0.000004 -0.000113 -0.026820 -0.026141 0.000001 14 C -0.000640 0.000000 0.000003 -0.006949 0.363083 -0.000047 15 C -0.001933 0.000000 -0.000000 0.000301 -0.032676 0.000001 16 C 0.000227 -0.000000 0.000000 -0.004822 -0.038118 0.002291 17 C 0.000000 -0.000000 -0.000000 0.000355 0.000040 0.360748 18 C 0.000000 0.000000 -0.000000 0.000413 0.000031 -0.005354 19 C 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 20 C 0.000000 -0.000000 -0.000000 -0.000743 0.000003 -0.006714 21 C -0.000000 -0.000000 0.000000 -0.000005 -0.000000 0.002911 22 C 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000066 23 C 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000001 24 C -0.000000 0.000000 -0.000000 0.000023 0.000000 0.000002 25 C -0.000000 0.000000 -0.000000 0.000350 0.000000 -0.000195 26 C 0.423837 0.000003 -0.001585 0.007328 -0.011431 -0.000000 27 C -0.031520 0.000003 -0.000087 0.000195 -0.000142 0.000000 28 C -0.043478 0.000000 0.000033 -0.000011 0.000017 -0.000000 29 C -0.025706 -0.000000 0.000056 0.000000 -0.000019 0.000000 30 C 0.525168 0.000000 -0.000107 0.000003 0.000193 -0.000000 31 C 4.649823 0.000000 -0.000633 -0.000151 0.001720 -0.000000 32 H 0.000000 0.557823 -0.000141 -0.000000 0.000000 -0.000000 33 H -0.000633 -0.000141 0.544481 -0.000001 -0.000026 -0.000000 34 H -0.000151 -0.000000 -0.000001 0.361882 -0.000020 -0.000002 35 H 0.001720 0.000000 -0.000026 -0.000020 0.593860 -0.000003 36 H -0.000000 -0.000000 -0.000000 -0.000002 -0.000003 0.511356 37 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.002498 38 H -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000001 39 H 0.000000 0.000000 -0.000000 -0.000001 -0.000000 0.000000 40 H -0.000000 0.000000 0.000000 0.001429 0.000000 -0.000008 41 H 0.005235 -0.000000 -0.000000 -0.000288 -0.000027 0.000000 42 H 0.003960 0.000000 -0.000001 -0.000000 0.000000 -0.000000 43 H -0.029985 -0.000000 0.000073 -0.000000 0.000005 0.000000 44 H 0.002172 0.000007 0.001552 0.000094 0.001670 0.000000 45 H 0.000087 -0.000014 -0.000099 0.004210 0.000072 -0.000003 46 H 0.000015 -0.000000 0.000000 0.000056 0.005131 -0.000000 47 H 0.000056 -0.000000 0.000000 -0.000057 -0.003343 0.000000 48 H 0.001187 -0.000000 0.000000 -0.000026 -0.003446 -0.000000 37 38 39 40 41 42 1 S -0.000048 -0.000000 -0.000000 0.000053 0.000000 -0.000000 2 F -0.000000 0.000000 0.000000 -0.000000 -0.000016 -0.000020 3 F 0.000000 0.000000 -0.000000 0.000000 -0.000993 -0.001063 4 O 0.000000 -0.000000 -0.000000 0.000078 0.014856 0.000000 5 N -0.000000 0.000000 -0.000000 0.000000 -0.000075 0.000000 6 N -0.000000 0.000000 0.000000 -0.000001 0.000064 0.000000 7 N -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 8 N 0.000020 0.000001 -0.000000 0.010886 0.000002 0.000000 9 N -0.000001 0.000584 0.000544 -0.000000 -0.000000 0.000000 10 C 0.000000 0.000000 0.000000 -0.000000 0.000033 0.000000 11 C -0.000000 -0.000000 0.000000 -0.000000 -0.000018 -0.000001 12 C 0.000000 0.000000 -0.000000 0.000004 0.000532 -0.000000 13 C 0.000000 0.000000 0.000000 -0.000026 -0.014946 0.000006 14 C 0.000000 0.000000 -0.000000 -0.000011 0.000402 -0.000000 15 C -0.000000 -0.000000 -0.000000 0.000001 0.000097 0.000000 16 C -0.000007 -0.000000 -0.000000 -0.000216 -0.000011 0.000000 17 C 0.005134 0.000004 0.000002 0.000422 0.000000 0.000000 18 C -0.011922 -0.000186 -0.000181 -0.012668 -0.000000 -0.000000 19 C -0.000233 -0.006444 -0.006597 -0.000206 -0.000000 0.000000 20 C -0.038460 0.003139 0.003118 -0.038201 -0.000000 -0.000000 21 C 0.367263 -0.031729 0.000576 0.005013 -0.000000 -0.000000 22 C -0.033584 0.375282 0.004515 0.000549 0.000000 -0.000000 23 C 0.003788 -0.038411 -0.039301 0.003739 -0.000000 -0.000000 24 C 0.000566 0.004514 0.376688 -0.035197 0.000000 0.000000 25 C 0.005198 0.000582 -0.031352 0.373895 -0.000000 -0.000000 26 C -0.000000 0.000000 0.000000 -0.000001 -0.028862 -0.000087 27 C 0.000000 -0.000000 -0.000000 0.000000 0.367374 0.006212 28 C 0.000000 -0.000000 -0.000000 0.000000 -0.034649 -0.030800 29 C -0.000000 0.000000 0.000000 -0.000000 0.005753 0.368026 30 C 0.000000 -0.000000 -0.000000 0.000000 -0.000177 -0.034024 31 C 0.000000 -0.000000 0.000000 -0.000000 0.005235 0.003960 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 -0.000001 34 H -0.000000 0.000000 -0.000001 0.001429 -0.000288 -0.000000 35 H 0.000000 -0.000000 -0.000000 0.000000 -0.000027 0.000000 36 H 0.002498 -0.000001 0.000000 -0.000008 0.000000 -0.000000 37 H 0.595427 -0.005194 0.000017 -0.000155 0.000000 -0.000000 38 H -0.005194 0.563985 -0.000150 0.000016 -0.000000 0.000000 39 H 0.000017 -0.000150 0.560100 -0.004836 0.000000 -0.000000 40 H -0.000155 0.000016 -0.004836 0.561036 -0.000000 0.000000 41 H 0.000000 -0.000000 0.000000 -0.000000 0.524342 -0.000132 42 H -0.000000 0.000000 -0.000000 0.000000 -0.000132 0.562513 43 H 0.000000 -0.000000 0.000000 -0.000000 0.000010 -0.005814 44 H -0.000000 0.000000 0.000000 -0.000000 -0.000023 0.000000 45 H 0.000000 0.000000 0.000000 0.000002 -0.000019 0.000000 46 H 0.000000 -0.000000 -0.000000 0.000099 0.000104 -0.000000 47 H 0.000000 -0.000000 0.000000 0.000000 0.000004 -0.000000 48 H 0.000000 0.000000 0.000000 -0.000000 0.000001 0.000000 43 44 45 46 47 48 1 S 0.000000 0.000891 -0.000659 0.000117 0.002587 -0.000259 2 F -0.000268 0.009933 0.000190 -0.000004 -0.000001 0.000003 3 F -0.000020 -0.000000 -0.000000 0.000000 -0.000000 -0.000001 4 O 0.000000 0.003709 -0.004147 0.013240 0.000261 -0.000110 5 N 0.000000 -0.034515 -0.030622 -0.000002 0.000001 -0.000000 6 N 0.000000 0.003678 0.003550 -0.000000 0.000000 -0.000000 7 N -0.000000 0.000245 -0.000214 0.000000 0.000000 -0.000000 8 N 0.000000 0.000259 0.003579 0.005087 -0.000349 0.000144 9 N 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 10 C -0.000000 -0.000319 0.000025 -0.000000 -0.000000 -0.000000 11 C -0.000008 -0.001070 0.003877 -0.000000 0.000000 0.000001 12 C 0.000004 0.362935 0.368986 0.000506 -0.000070 0.000081 13 C -0.000151 -0.032646 -0.033085 -0.007392 0.004798 -0.008582 14 C 0.000002 0.000967 -0.008947 -0.034100 -0.030224 -0.030393 15 C 0.000001 -0.000053 -0.000089 0.386940 0.380747 0.382889 16 C -0.000000 0.000877 0.004489 -0.009676 -0.003607 0.005898 17 C 0.000000 -0.000018 -0.000017 -0.000001 -0.000099 0.000001 18 C -0.000000 -0.000029 0.001018 0.000078 -0.000025 -0.000000 19 C 0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 20 C -0.000000 -0.000001 -0.000058 -0.000007 0.000000 -0.000000 21 C -0.000000 -0.000000 -0.000003 0.000000 -0.000000 0.000000 22 C 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 23 C -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 24 C 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 25 C 0.000000 0.000000 0.000001 -0.000013 0.000000 0.000000 26 C 0.006161 -0.007149 0.005643 -0.002061 0.000045 0.008898 27 C 0.000239 -0.000420 -0.000055 0.000640 0.000020 0.000978 28 C 0.003186 0.000005 0.000001 0.000005 0.000002 -0.000080 29 C -0.030911 -0.000011 -0.000000 -0.000000 -0.000000 -0.000014 30 C 0.362746 0.000317 0.000001 0.000003 -0.000001 -0.000086 31 C -0.029985 0.002172 0.000087 0.000015 0.000056 0.001187 32 H -0.000000 0.000007 -0.000014 -0.000000 -0.000000 -0.000000 33 H 0.000073 0.001552 -0.000099 0.000000 0.000000 0.000000 34 H -0.000000 0.000094 0.004210 0.000056 -0.000057 -0.000026 35 H 0.000005 0.001670 0.000072 0.005131 -0.003343 -0.003446 36 H 0.000000 0.000000 -0.000003 -0.000000 0.000000 -0.000000 37 H 0.000000 -0.000000 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 0.000002 0.000099 0.000000 -0.000000 41 H 0.000010 -0.000023 -0.000019 0.000104 0.000004 0.000001 42 H -0.005814 0.000000 0.000000 -0.000000 -0.000000 0.000000 43 H 0.564451 -0.000000 -0.000000 0.000000 -0.000000 -0.000001 44 H -0.000000 0.572743 -0.022431 -0.000018 -0.000007 -0.000009 45 H -0.000000 -0.022431 0.552898 -0.000010 0.000001 -0.000001 46 H 0.000000 -0.000018 -0.000010 0.552187 -0.027036 -0.025094 47 H -0.000000 -0.000007 0.000001 -0.027036 0.582393 -0.027046 48 H -0.000001 -0.000009 -0.000001 -0.025094 -0.027046 0.562132 Mulliken charges: 1 1 S 0.303391 2 F -0.313111 3 F -0.297266 4 O -0.562033 5 N -0.299683 6 N -0.260173 7 N -0.471510 8 N -0.507585 9 N -0.461927 10 C 0.212960 11 C 0.286688 12 C -0.049741 13 C 0.226086 14 C -0.143458 15 C -0.315366 16 C 0.061511 17 C -0.361945 18 C 0.263338 19 C 0.241399 20 C 0.071427 21 C -0.122405 22 C -0.086673 23 C 0.061596 24 C -0.081687 25 C -0.112559 26 C -0.015761 27 C -0.144043 28 C 0.354800 29 C -0.146498 30 C -0.144294 31 C 0.307638 32 H 0.123891 33 H 0.134805 34 H 0.336420 35 H 0.131632 36 H 0.158738 37 H 0.109691 38 H 0.134009 39 H 0.136857 40 H 0.134306 41 H 0.161427 42 H 0.131225 43 H 0.130279 44 H 0.136665 45 H 0.151843 46 H 0.141209 47 H 0.120950 48 H 0.132935 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 S 0.303391 2 F -0.313111 3 F -0.297266 4 O -0.225613 5 N -0.299683 6 N -0.260173 7 N -0.471510 8 N -0.507585 9 N -0.461927 10 C 0.336851 11 C 0.421493 12 C 0.238767 13 C 0.226086 14 C -0.011826 15 C 0.079728 16 C 0.061511 17 C -0.203207 18 C 0.263338 19 C 0.241399 20 C 0.071427 21 C -0.012714 22 C 0.047336 23 C 0.061596 24 C 0.055170 25 C 0.021747 26 C -0.015761 27 C 0.017384 28 C 0.354800 29 C -0.015273 30 C -0.014014 31 C 0.307638 APT charges: 1 1 S -0.136884 2 F -0.491343 3 F -0.534118 4 O -0.670497 5 N -0.299736 6 N -0.233660 7 N -0.490566 8 N -0.581741 9 N -0.385655 10 C 0.230452 11 C 0.313794 12 C 0.261208 13 C 0.492090 14 C -0.016546 15 C -0.014746 16 C 0.385641 17 C -0.082749 18 C 0.190226 19 C 0.246950 20 C 0.198458 21 C -0.131248 22 C 0.026209 23 C -0.021157 24 C 0.048580 25 C -0.137268 26 C -0.016470 27 C -0.125552 28 C 0.567038 29 C -0.077065 30 C -0.027858 31 C 0.373545 32 H 0.052773 33 H 0.078811 34 H 0.392195 35 H 0.010783 36 H 0.094833 37 H 0.044643 38 H 0.048820 39 H 0.051963 40 H 0.073177 41 H 0.122324 42 H 0.066040 43 H 0.063498 44 H 0.022486 45 H -0.004853 46 H 0.035851 47 H -0.008280 48 H -0.004394 Sum of APT charges = -0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 S -0.136884 2 F -0.491343 3 F -0.534118 4 O -0.278303 5 N -0.299736 6 N -0.233660 7 N -0.490566 8 N -0.581741 9 N -0.385655 10 C 0.283224 11 C 0.392605 12 C 0.278841 13 C 0.492090 14 C -0.005763 15 C 0.008432 16 C 0.385641 17 C 0.012084 18 C 0.190226 19 C 0.246950 20 C 0.198458 21 C -0.086605 22 C 0.075030 23 C -0.021157 24 C 0.100543 25 C -0.064091 26 C -0.016470 27 C -0.003227 28 C 0.567038 29 C -0.011025 30 C 0.035640 31 C 0.373545 Electronic spatial extent (au): = 100053.0139 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -7.7832 Y= 0.0530 Z= -1.8080 Tot= 7.9906 Quadrupole moment (field-independent basis, Debye-Ang): XX= -191.7123 YY= -203.6914 ZZ= -213.2568 XY= -63.3385 XZ= -60.8908 YZ= 0.7071 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 11.1745 YY= -0.8045 ZZ= -10.3700 XY= -63.3385 XZ= -60.8908 YZ= 0.7071 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -234.8534 YYY= -5198.9544 ZZZ= -3631.1139 XYY= -683.7856 XXY= -1594.7535 XXZ= -1139.2686 XZZ= -721.6877 YZZ= -1456.4722 YYZ= -1124.3653 XYZ= -368.5642 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3545.3321 YYYY= -95489.5635 ZZZZ= -55214.2292 XXXY= -1659.3806 XXXZ= -2154.9489 YYYX= -8378.9527 YYYZ= -26026.9589 ZZZX= -9269.2334 ZZZY= -22445.0961 XXYY= -15206.4525 XXZZ= -10006.5141 YYZZ= -20898.8223 XXYZ= -7969.1607 YYXZ= -3365.1916 ZZXY= -3810.8975 N-N= 3.133271625043D+03 E-N=-1.047012623500D+04 KE= 1.783989484774D+03 Exact polarizability: 277.292 -48.176 215.173 28.254 -82.831 335.339 Approx polarizability: 470.145-107.498 311.481 20.776 -90.303 452.413 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 --- -6.3325 -4.1350 0.0010 0.0017 0.0021 5.0972 Low frequencies --- 14.8629 25.3727 25.6588 Diagonal vibrational polarizability: 58.7995365 57.1536065 64.0134453 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 -- 14.6295 25.3469 25.6374 Red. masses -- 8.0531 6.0448 5.1750 Frc consts -- 0.0010 0.0023 0.0020 IR Inten -- 0.2721 0.3045 0.1692 Atom AN X Y Z X Y Z X Y Z 1 16 -0.08 -0.15 -0.06 -0.01 0.06 0.01 0.03 0.01 -0.02 2 9 0.02 0.07 0.07 -0.05 -0.04 -0.08 -0.01 -0.03 0.07 3 9 -0.08 0.04 -0.04 0.05 -0.02 0.04 -0.01 0.16 -0.04 4 8 -0.04 -0.06 -0.05 -0.04 0.03 0.02 0.02 -0.07 -0.07 5 7 0.09 -0.09 0.04 -0.04 -0.03 0.06 0.01 -0.07 -0.00 6 7 0.07 -0.16 0.05 -0.10 -0.02 0.25 0.04 -0.08 -0.09 7 7 0.18 -0.14 0.07 0.11 -0.09 0.13 -0.05 -0.02 0.01 8 7 -0.03 0.01 -0.02 -0.04 -0.02 -0.04 0.01 -0.07 -0.03 9 7 0.08 0.25 0.05 0.09 0.06 -0.10 -0.05 0.05 0.09 10 6 0.13 -0.18 0.06 -0.01 -0.06 0.29 0.00 -0.05 -0.08 11 6 0.15 -0.08 0.05 0.09 -0.07 -0.01 -0.04 -0.03 0.05 12 6 0.04 -0.04 0.02 -0.09 0.01 -0.02 0.03 -0.09 0.01 13 6 -0.02 -0.02 -0.01 -0.05 0.01 -0.01 0.02 -0.06 -0.03 14 6 -0.04 0.02 -0.02 -0.04 -0.01 -0.03 0.02 -0.06 -0.04 15 6 -0.09 0.05 -0.05 -0.00 -0.02 -0.02 0.03 -0.06 -0.04 16 6 -0.04 -0.02 -0.03 -0.04 -0.01 -0.02 0.02 -0.06 -0.03 17 6 -0.07 -0.14 -0.07 0.00 0.07 0.01 0.03 0.03 -0.01 18 6 -0.04 -0.05 -0.04 -0.01 0.02 -0.02 0.02 -0.01 -0.02 19 6 0.05 0.19 0.03 0.07 0.05 -0.08 -0.04 0.04 0.07 20 6 -0.02 0.00 -0.02 0.00 0.02 -0.03 0.00 -0.00 0.00 21 6 -0.07 -0.06 -0.03 0.09 0.13 -0.02 0.07 0.18 0.02 22 6 -0.05 0.00 -0.02 0.11 0.14 -0.03 0.06 0.20 0.04 23 6 0.03 0.12 0.01 0.04 0.04 -0.07 -0.02 0.03 0.05 24 6 0.07 0.18 0.02 -0.04 -0.07 -0.09 -0.09 -0.16 0.03 25 6 0.05 0.12 0.01 -0.06 -0.08 -0.07 -0.08 -0.17 0.00 26 6 -0.02 0.02 0.00 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 27 6 -0.05 0.01 -0.03 0.00 -0.00 0.02 -0.00 0.04 -0.03 28 6 -0.05 0.05 -0.01 0.03 -0.02 0.01 -0.01 0.11 -0.01 29 6 -0.03 0.09 0.02 0.02 -0.05 -0.03 -0.02 0.13 0.04 30 6 -0.01 0.10 0.05 -0.00 -0.05 -0.06 -0.03 0.07 0.06 31 6 -0.00 0.06 0.04 -0.03 -0.03 -0.05 -0.01 0.01 0.04 32 1 0.13 -0.23 0.08 -0.04 -0.07 0.43 0.01 -0.05 -0.13 33 1 0.17 -0.03 0.05 0.16 -0.08 -0.16 -0.07 -0.02 0.12 34 1 -0.02 -0.04 -0.04 -0.05 0.03 0.02 0.03 -0.08 -0.07 35 1 -0.02 0.05 0.01 -0.04 -0.03 -0.04 0.02 -0.07 -0.04 36 1 -0.09 -0.20 -0.09 0.02 0.10 0.03 0.04 0.07 0.00 37 1 -0.13 -0.15 -0.05 0.14 0.22 0.01 0.14 0.33 0.01 38 1 -0.08 -0.04 -0.02 0.18 0.23 -0.02 0.11 0.34 0.05 39 1 0.13 0.27 0.04 -0.09 -0.15 -0.11 -0.15 -0.29 0.03 40 1 0.08 0.16 0.01 -0.13 -0.16 -0.09 -0.13 -0.30 -0.01 41 1 -0.06 -0.02 -0.06 0.00 0.01 0.04 0.01 0.04 -0.07 42 1 -0.04 0.12 0.03 0.04 -0.06 -0.03 -0.03 0.18 0.05 43 1 0.01 0.13 0.08 -0.01 -0.07 -0.09 -0.03 0.08 0.10 44 1 0.06 0.01 0.03 -0.07 0.04 -0.09 0.03 -0.10 0.05 45 1 0.02 -0.07 0.01 -0.17 0.02 -0.01 0.07 -0.11 -0.01 46 1 -0.10 0.01 -0.09 0.01 -0.00 -0.00 0.02 -0.07 -0.02 47 1 -0.10 0.07 -0.06 0.01 -0.04 -0.03 0.02 -0.05 -0.06 48 1 -0.10 0.08 -0.05 0.00 -0.02 -0.02 0.06 -0.06 -0.04 4 5 6 A A A Frequencies -- 31.9720 36.1387 45.4895 Red. masses -- 7.6710 8.7144 6.5100 Frc consts -- 0.0046 0.0067 0.0079 IR Inten -- 1.1754 0.4578 0.1884 Atom AN X Y Z X Y Z X Y Z 1 16 -0.08 0.02 0.05 0.01 0.05 0.05 0.07 0.22 0.02 2 9 0.05 0.01 -0.01 -0.17 -0.16 -0.07 0.03 -0.04 0.04 3 9 0.18 -0.00 0.16 0.16 0.31 0.09 -0.03 0.01 -0.06 4 8 -0.09 -0.09 0.06 -0.03 0.01 -0.01 0.02 -0.09 -0.05 5 7 -0.03 -0.02 -0.02 0.00 -0.04 -0.06 -0.02 -0.08 0.03 6 7 0.02 -0.05 -0.17 -0.03 -0.06 0.01 -0.01 -0.07 0.00 7 7 -0.10 -0.00 -0.07 0.12 -0.17 -0.19 -0.10 0.02 0.16 8 7 -0.10 -0.02 0.01 0.00 0.01 0.03 -0.04 -0.11 -0.05 9 7 0.17 0.12 -0.15 -0.03 -0.09 0.00 0.04 0.08 -0.02 10 6 -0.03 -0.04 -0.20 0.05 -0.14 -0.07 -0.06 -0.00 0.08 11 6 -0.10 0.01 0.04 0.09 -0.11 -0.18 -0.08 -0.02 0.13 12 6 -0.01 -0.03 0.03 -0.04 0.02 -0.05 0.01 -0.12 0.00 13 6 -0.05 -0.04 0.04 -0.05 -0.01 -0.02 0.02 -0.08 -0.04 14 6 -0.09 0.02 0.03 -0.03 -0.03 0.02 0.02 -0.09 -0.06 15 6 -0.15 0.03 0.01 -0.00 -0.06 0.05 0.05 -0.11 -0.02 16 6 -0.09 0.01 0.03 -0.00 0.01 0.03 -0.00 -0.04 -0.04 17 6 -0.07 -0.01 0.03 0.03 0.07 0.06 0.04 0.22 0.03 18 6 -0.08 -0.02 0.01 0.02 0.04 0.04 -0.01 0.03 -0.01 19 6 0.11 0.08 -0.12 -0.02 -0.06 0.01 0.02 0.05 -0.02 20 6 -0.05 -0.02 -0.02 0.01 0.03 0.04 -0.03 -0.00 -0.01 21 6 0.01 -0.01 -0.01 -0.03 -0.07 0.03 -0.09 -0.13 -0.03 22 6 0.06 0.02 -0.04 -0.04 -0.10 0.02 -0.08 -0.12 -0.03 23 6 0.05 0.03 -0.08 -0.00 -0.02 0.02 -0.00 0.02 -0.02 24 6 -0.02 0.00 -0.10 0.05 0.10 0.04 0.05 0.13 -0.01 25 6 -0.07 -0.02 -0.06 0.06 0.12 0.05 0.03 0.11 -0.00 26 6 0.02 -0.04 0.05 -0.05 -0.01 -0.02 0.02 -0.05 -0.02 27 6 0.05 -0.04 0.09 0.03 0.11 0.02 -0.00 -0.04 -0.04 28 6 0.14 -0.00 0.11 0.06 0.17 0.05 -0.01 0.00 -0.03 29 6 0.19 0.04 0.09 0.00 0.09 0.02 -0.00 0.03 0.01 30 6 0.16 0.04 0.04 -0.08 -0.04 -0.02 0.01 0.02 0.03 31 6 0.07 0.00 0.02 -0.11 -0.08 -0.04 0.02 -0.02 0.02 32 1 -0.01 -0.05 -0.31 0.05 -0.17 -0.04 -0.06 0.02 0.08 33 1 -0.15 0.03 0.15 0.13 -0.11 -0.26 -0.10 -0.02 0.17 34 1 -0.13 -0.09 0.05 -0.01 0.03 -0.00 0.01 -0.12 -0.07 35 1 -0.06 0.06 0.04 -0.04 -0.06 0.01 0.02 -0.10 -0.09 36 1 -0.06 -0.00 0.04 0.04 0.11 0.07 0.06 0.37 0.07 37 1 0.02 -0.01 0.03 -0.07 -0.15 0.03 -0.15 -0.24 -0.03 38 1 0.11 0.04 -0.03 -0.09 -0.19 0.01 -0.12 -0.21 -0.04 39 1 -0.03 0.01 -0.13 0.08 0.16 0.04 0.10 0.23 0.00 40 1 -0.12 -0.04 -0.07 0.10 0.20 0.06 0.08 0.20 0.01 41 1 0.01 -0.07 0.12 0.08 0.17 0.04 -0.01 -0.06 -0.07 42 1 0.26 0.07 0.10 0.03 0.14 0.04 -0.01 0.06 0.02 43 1 0.20 0.07 0.02 -0.13 -0.09 -0.04 0.02 0.04 0.06 44 1 -0.02 -0.03 0.06 -0.03 0.04 -0.10 -0.01 -0.14 0.04 45 1 0.02 -0.02 0.03 -0.09 0.05 -0.03 0.03 -0.15 -0.01 46 1 -0.17 -0.01 -0.00 0.00 -0.04 0.07 0.03 -0.13 0.04 47 1 -0.17 0.07 0.01 0.00 -0.06 0.06 0.03 -0.09 -0.06 48 1 -0.14 0.05 0.02 0.00 -0.08 0.04 0.12 -0.14 -0.03 7 8 9 A A A Frequencies -- 63.7320 77.6916 88.7205 Red. masses -- 8.8674 6.0895 6.3902 Frc consts -- 0.0212 0.0217 0.0296 IR Inten -- 1.5432 0.3934 0.1636 Atom AN X Y Z X Y Z X Y Z 1 16 0.05 0.12 0.02 0.06 0.02 0.10 -0.03 -0.01 0.02 2 9 -0.03 -0.01 0.02 -0.01 0.08 -0.10 -0.04 -0.13 -0.04 3 9 -0.02 0.03 0.00 0.04 -0.03 0.01 0.08 0.12 -0.02 4 8 0.05 0.09 0.05 -0.09 -0.02 -0.06 -0.02 -0.12 -0.08 5 7 0.03 0.07 0.00 -0.04 -0.00 -0.05 0.13 -0.03 -0.06 6 7 0.03 0.09 0.03 -0.06 -0.00 0.01 0.14 0.02 -0.06 7 7 0.07 -0.01 -0.14 -0.02 0.02 0.04 0.00 0.18 0.21 8 7 -0.02 -0.11 -0.02 0.03 -0.06 -0.05 -0.00 0.06 0.04 9 7 0.15 0.35 0.10 -0.08 0.04 0.24 0.03 0.02 -0.02 10 6 0.05 0.03 -0.05 -0.05 0.01 0.06 0.06 0.14 0.10 11 6 0.06 0.01 -0.10 -0.01 0.01 -0.03 0.05 0.07 0.10 12 6 0.03 0.08 0.02 -0.06 0.01 -0.07 0.14 -0.03 -0.04 13 6 0.04 0.07 0.04 -0.08 0.00 -0.06 0.04 -0.04 -0.03 14 6 0.05 0.05 0.03 -0.09 0.04 0.01 -0.03 0.07 0.04 15 6 0.08 0.05 0.02 -0.23 0.09 -0.06 -0.21 0.09 0.02 16 6 0.03 0.02 0.01 0.01 -0.01 0.01 -0.00 0.06 0.04 17 6 -0.03 -0.04 -0.02 0.11 -0.03 0.04 -0.03 -0.04 0.01 18 6 -0.06 -0.15 -0.03 0.09 -0.07 -0.03 -0.02 0.01 0.02 19 6 0.05 0.12 0.05 -0.01 -0.01 0.13 0.00 0.00 -0.01 20 6 -0.10 -0.23 -0.04 0.09 -0.08 -0.04 -0.02 -0.01 0.02 21 6 -0.11 -0.21 -0.04 0.05 -0.06 -0.04 -0.01 -0.01 0.02 22 6 -0.08 -0.13 -0.02 0.01 -0.05 -0.00 -0.01 -0.01 0.01 23 6 -0.05 -0.09 0.00 0.04 -0.04 0.05 -0.01 -0.01 0.00 24 6 -0.08 -0.18 -0.01 0.08 -0.06 0.06 -0.03 -0.02 -0.00 25 6 -0.11 -0.25 -0.03 0.11 -0.08 0.01 -0.03 -0.01 0.01 26 6 0.02 0.05 0.03 -0.06 -0.01 -0.06 0.02 -0.05 -0.04 27 6 0.02 0.06 0.03 -0.06 -0.04 -0.04 0.05 0.02 -0.03 28 6 -0.03 0.01 0.01 0.03 0.00 -0.02 0.02 0.02 -0.04 29 6 -0.08 -0.06 -0.01 0.11 0.08 -0.02 -0.08 -0.10 -0.07 30 6 -0.08 -0.07 -0.01 0.10 0.11 -0.05 -0.11 -0.16 -0.07 31 6 -0.03 -0.01 0.01 0.01 0.05 -0.07 -0.04 -0.11 -0.05 32 1 0.05 0.03 -0.06 -0.06 0.01 0.12 0.04 0.20 0.14 33 1 0.07 -0.01 -0.14 0.01 0.01 -0.07 0.02 0.04 0.12 34 1 0.03 0.04 0.03 -0.10 -0.04 -0.07 -0.00 -0.09 -0.06 35 1 0.04 0.03 0.03 -0.09 0.09 0.11 0.01 0.14 0.10 36 1 -0.04 -0.02 -0.03 0.15 -0.03 0.06 -0.04 -0.09 -0.01 37 1 -0.12 -0.21 -0.05 0.03 -0.06 -0.07 -0.01 0.00 0.02 38 1 -0.07 -0.08 -0.02 -0.02 -0.03 -0.01 -0.00 -0.00 0.01 39 1 -0.07 -0.16 0.01 0.10 -0.06 0.10 -0.03 -0.02 -0.01 40 1 -0.12 -0.28 -0.03 0.15 -0.09 0.02 -0.04 -0.02 0.00 41 1 0.06 0.10 0.04 -0.11 -0.09 -0.03 0.11 0.09 -0.02 42 1 -0.12 -0.10 -0.03 0.18 0.13 -0.00 -0.11 -0.13 -0.08 43 1 -0.12 -0.12 -0.02 0.15 0.16 -0.05 -0.17 -0.24 -0.09 44 1 0.03 0.08 0.01 -0.05 0.03 -0.08 0.14 -0.02 -0.01 45 1 0.02 0.09 0.03 -0.08 0.02 -0.06 0.16 -0.03 -0.05 46 1 0.09 0.07 0.01 -0.22 0.05 -0.19 -0.24 0.00 -0.06 47 1 0.09 0.04 0.01 -0.23 0.10 0.02 -0.25 0.17 0.08 48 1 0.07 0.06 0.02 -0.35 0.14 -0.05 -0.26 0.10 0.02 10 11 12 A A A Frequencies -- 98.1519 112.6995 138.8879 Red. masses -- 5.1489 5.4761 5.6505 Frc consts -- 0.0292 0.0410 0.0642 IR Inten -- 0.1499 0.1580 2.5938 Atom AN X Y Z X Y Z X Y Z 1 16 0.03 0.03 -0.01 -0.00 -0.03 0.01 0.06 -0.01 -0.06 2 9 -0.04 0.01 -0.01 -0.06 0.04 -0.13 0.02 0.05 -0.03 3 9 0.03 -0.02 0.09 0.01 -0.02 -0.01 0.01 0.01 -0.02 4 8 -0.02 0.05 0.06 -0.01 0.11 -0.02 0.01 0.01 -0.03 5 7 -0.03 0.01 0.11 -0.02 0.01 -0.03 -0.05 0.00 0.05 6 7 0.02 -0.12 -0.08 -0.01 -0.17 -0.17 -0.04 -0.01 0.03 7 7 0.00 -0.04 0.05 0.05 0.05 0.18 -0.03 -0.05 -0.03 8 7 0.00 -0.05 -0.08 0.03 0.06 0.06 0.05 -0.07 0.01 9 7 -0.12 -0.02 0.09 0.10 0.05 -0.02 0.25 -0.08 -0.22 10 6 0.03 -0.14 -0.11 0.04 -0.14 -0.04 -0.03 -0.04 -0.02 11 6 -0.04 0.05 0.17 0.01 0.14 0.17 -0.04 -0.02 0.01 12 6 -0.04 0.02 0.08 -0.09 0.07 -0.08 -0.03 -0.02 0.02 13 6 -0.01 0.06 0.05 -0.05 0.05 -0.04 0.01 0.01 -0.02 14 6 -0.01 0.04 -0.03 0.01 -0.03 0.01 0.01 0.01 -0.02 15 6 0.00 0.11 -0.12 0.14 -0.11 0.12 -0.11 0.14 -0.19 16 6 -0.01 -0.03 -0.06 0.02 0.03 0.04 0.07 -0.08 -0.03 17 6 0.05 0.02 -0.03 -0.01 -0.01 0.02 0.02 0.05 -0.01 18 6 0.04 -0.02 -0.07 0.01 0.03 0.05 0.02 0.00 0.03 19 6 -0.03 0.01 0.01 0.02 -0.01 0.02 0.01 -0.02 0.06 20 6 0.05 0.01 -0.07 -0.02 -0.01 0.05 -0.03 0.01 0.10 21 6 0.04 0.02 -0.07 -0.02 -0.03 0.05 -0.06 0.01 0.10 22 6 0.02 0.04 -0.05 -0.02 -0.05 0.04 -0.09 0.01 0.13 23 6 0.03 0.03 -0.03 -0.03 -0.06 0.03 -0.08 -0.00 0.16 24 6 0.06 0.04 -0.02 -0.04 -0.06 0.03 -0.06 -0.01 0.16 25 6 0.07 0.02 -0.04 -0.03 -0.04 0.04 -0.03 -0.01 0.14 26 6 0.02 0.07 0.06 -0.06 0.02 -0.06 0.02 0.04 -0.01 27 6 0.05 0.09 0.09 -0.04 0.01 -0.04 0.02 0.04 -0.01 28 6 -0.00 -0.03 0.05 0.00 0.01 -0.04 0.01 0.01 -0.02 29 6 -0.09 -0.17 -0.03 0.04 0.03 -0.06 -0.01 -0.03 -0.04 30 6 -0.10 -0.15 -0.05 0.03 0.05 -0.08 -0.01 -0.01 -0.04 31 6 -0.03 -0.01 0.01 -0.03 0.04 -0.09 0.01 0.03 -0.03 32 1 0.07 -0.23 -0.24 0.07 -0.26 -0.10 -0.02 -0.06 -0.05 33 1 -0.07 0.12 0.29 0.00 0.25 0.27 -0.04 -0.02 0.02 34 1 -0.05 0.01 0.03 0.05 0.17 0.02 0.02 0.00 -0.03 35 1 -0.01 0.05 0.01 -0.03 -0.11 -0.05 0.01 0.07 0.11 36 1 0.08 0.05 -0.01 -0.03 -0.05 0.01 0.01 0.10 -0.01 37 1 0.03 0.02 -0.09 -0.01 -0.02 0.06 -0.07 0.02 0.08 38 1 0.00 0.04 -0.06 -0.01 -0.05 0.04 -0.12 0.02 0.13 39 1 0.07 0.04 -0.00 -0.05 -0.07 0.02 -0.05 -0.03 0.19 40 1 0.09 0.02 -0.04 -0.04 -0.03 0.04 0.01 -0.02 0.14 41 1 0.09 0.16 0.14 -0.06 0.00 -0.02 0.03 0.05 -0.01 42 1 -0.14 -0.27 -0.07 0.08 0.04 -0.05 -0.03 -0.06 -0.06 43 1 -0.16 -0.24 -0.11 0.05 0.06 -0.10 -0.02 -0.03 -0.05 44 1 -0.03 0.04 0.06 -0.06 0.11 -0.17 -0.04 -0.03 0.02 45 1 -0.08 -0.00 0.08 -0.19 0.09 -0.05 -0.04 -0.04 0.01 46 1 0.03 0.12 -0.19 0.16 -0.03 0.22 -0.04 0.14 -0.44 47 1 0.02 0.07 -0.14 0.17 -0.15 0.12 -0.06 0.08 -0.10 48 1 -0.04 0.19 -0.10 0.18 -0.19 0.09 -0.33 0.29 -0.15 13 14 15 A A A Frequencies -- 155.3339 163.9046 181.8860 Red. masses -- 8.8639 7.5684 7.8327 Frc consts -- 0.1260 0.1198 0.1527 IR Inten -- 5.0933 0.1146 1.3362 Atom AN X Y Z X Y Z X Y Z 1 16 -0.02 -0.08 -0.02 -0.02 0.04 0.07 0.01 -0.06 -0.04 2 9 0.13 0.11 0.04 0.21 0.31 0.02 0.00 0.20 0.08 3 9 0.05 0.07 -0.02 0.12 0.17 0.00 0.07 0.02 0.25 4 8 0.01 -0.05 -0.06 -0.01 -0.02 -0.07 -0.07 -0.03 -0.01 5 7 -0.08 -0.03 0.11 -0.03 -0.02 0.01 0.10 -0.05 -0.21 6 7 -0.07 -0.02 0.08 -0.04 0.00 0.03 0.07 0.03 -0.09 7 7 -0.09 -0.11 -0.06 -0.03 -0.04 -0.03 0.05 0.11 0.05 8 7 0.09 0.27 0.06 -0.06 -0.07 0.00 0.00 -0.07 -0.06 9 7 0.04 0.25 0.13 -0.02 -0.12 -0.03 0.06 0.07 -0.03 10 6 -0.07 -0.07 -0.01 -0.04 -0.01 0.01 0.04 0.12 0.06 11 6 -0.09 -0.09 0.02 -0.03 -0.04 -0.02 0.09 0.01 -0.12 12 6 -0.02 -0.09 0.06 -0.01 -0.04 0.00 0.04 0.02 -0.06 13 6 0.02 -0.02 -0.02 -0.01 -0.01 -0.04 -0.08 -0.03 0.01 14 6 -0.00 0.02 -0.01 -0.01 -0.01 0.02 -0.04 -0.10 -0.05 15 6 -0.07 -0.01 0.03 0.03 -0.11 0.15 0.11 -0.07 -0.11 16 6 0.02 0.08 0.01 -0.03 0.03 0.04 -0.03 -0.13 -0.07 17 6 0.07 0.13 0.04 -0.06 -0.12 0.01 0.08 0.13 0.02 18 6 0.11 0.25 0.06 -0.06 -0.13 -0.01 0.06 0.07 -0.02 19 6 -0.02 -0.07 -0.03 0.03 0.03 0.03 -0.04 -0.03 0.01 20 6 0.08 0.15 0.02 -0.04 -0.09 -0.00 0.05 0.07 -0.01 21 6 0.04 0.00 0.01 -0.01 -0.02 0.01 0.00 0.03 -0.02 22 6 -0.04 -0.18 -0.05 0.04 0.08 0.03 -0.06 -0.04 -0.01 23 6 -0.07 -0.22 -0.09 0.06 0.10 0.05 -0.07 -0.07 0.01 24 6 -0.07 -0.16 -0.09 0.05 0.07 0.04 -0.03 -0.05 0.02 25 6 -0.00 0.03 -0.03 -0.00 -0.04 0.02 0.03 0.03 0.01 26 6 0.04 0.02 -0.01 -0.01 0.01 -0.05 -0.14 -0.03 0.03 27 6 0.04 0.03 -0.02 -0.01 0.01 -0.06 -0.15 -0.08 0.08 28 6 0.01 0.00 -0.03 -0.00 0.00 -0.07 -0.06 -0.05 0.11 29 6 -0.05 -0.09 -0.06 -0.10 -0.14 -0.14 -0.06 -0.08 0.05 30 6 -0.03 -0.07 -0.04 -0.07 -0.10 -0.12 -0.07 -0.03 0.02 31 6 0.04 0.02 -0.01 0.04 0.06 -0.05 -0.09 0.04 0.05 32 1 -0.07 -0.06 -0.05 -0.04 -0.00 0.01 0.01 0.18 0.18 33 1 -0.10 -0.10 0.04 -0.03 -0.04 -0.03 0.11 -0.01 -0.17 34 1 0.06 0.03 -0.02 -0.00 -0.04 -0.07 -0.08 -0.05 -0.02 35 1 0.02 0.04 -0.02 -0.01 -0.03 -0.05 -0.07 -0.14 -0.07 36 1 0.07 0.06 0.02 -0.06 -0.14 0.00 0.12 0.22 0.05 37 1 0.08 0.05 0.04 -0.02 -0.04 -0.00 0.01 0.05 -0.03 38 1 -0.04 -0.26 -0.05 0.05 0.12 0.03 -0.09 -0.06 -0.01 39 1 -0.11 -0.21 -0.13 0.06 0.09 0.05 -0.03 -0.07 0.04 40 1 0.00 0.10 -0.03 -0.01 -0.07 0.02 0.06 0.04 0.02 41 1 0.07 0.05 -0.02 0.02 0.04 -0.05 -0.18 -0.08 0.11 42 1 -0.10 -0.14 -0.08 -0.15 -0.22 -0.17 -0.02 -0.08 0.06 43 1 -0.06 -0.09 -0.05 -0.09 -0.12 -0.13 -0.03 -0.01 -0.01 44 1 -0.05 -0.14 0.11 -0.02 -0.06 0.06 0.07 0.08 -0.03 45 1 0.02 -0.15 0.03 0.04 -0.08 -0.02 0.09 0.09 -0.04 46 1 -0.11 -0.06 0.05 -0.06 -0.16 0.37 0.17 0.02 -0.11 47 1 -0.11 0.05 0.05 -0.04 -0.02 0.07 0.17 -0.17 -0.16 48 1 -0.06 -0.05 0.02 0.24 -0.24 0.12 0.11 -0.02 -0.10 16 17 18 A A A Frequencies -- 194.5354 205.0939 220.3545 Red. masses -- 3.6822 5.7550 1.5941 Frc consts -- 0.0821 0.1426 0.0456 IR Inten -- 2.4437 3.1563 0.1034 Atom AN X Y Z X Y Z X Y Z 1 16 -0.01 -0.01 -0.02 -0.03 -0.01 -0.05 -0.04 -0.02 0.02 2 9 0.12 -0.01 0.10 -0.08 0.08 -0.13 0.02 -0.01 -0.00 3 9 0.02 0.10 -0.07 -0.00 -0.06 0.04 -0.02 0.00 -0.05 4 8 0.02 0.05 0.11 0.02 -0.01 -0.10 -0.02 -0.01 0.03 5 7 -0.06 0.04 -0.09 0.07 -0.05 0.06 -0.01 0.02 -0.02 6 7 -0.08 -0.04 -0.06 0.09 0.03 0.04 -0.02 0.00 -0.01 7 7 0.05 0.03 0.04 -0.05 -0.01 -0.03 0.03 0.02 0.00 8 7 -0.02 -0.04 0.04 -0.04 -0.07 0.09 -0.05 -0.04 -0.01 9 7 -0.05 0.00 0.08 -0.08 -0.02 0.16 0.02 -0.00 0.03 10 6 -0.01 -0.05 0.02 0.02 0.06 -0.02 0.00 -0.00 0.00 11 6 0.02 0.08 -0.03 -0.01 -0.08 0.02 0.02 0.03 -0.02 12 6 -0.08 0.07 -0.08 0.07 -0.06 0.05 -0.02 0.03 -0.02 13 6 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 14 6 0.00 -0.03 0.01 0.03 -0.04 0.01 -0.02 -0.01 -0.02 15 6 -0.03 0.04 -0.09 0.07 0.05 -0.11 0.01 0.03 -0.06 16 6 0.00 -0.06 0.00 0.01 -0.09 0.01 -0.05 -0.05 -0.02 17 6 -0.04 0.05 0.03 -0.09 0.09 0.04 0.00 0.04 0.03 18 6 -0.04 0.01 0.05 -0.10 0.01 0.11 -0.01 0.01 0.01 19 6 0.04 -0.01 -0.03 0.12 -0.03 -0.04 0.02 -0.03 0.01 20 6 -0.04 0.00 0.05 -0.09 -0.01 0.12 0.01 0.02 0.02 21 6 0.02 -0.03 0.06 0.03 -0.07 0.15 0.02 -0.00 0.03 22 6 0.07 -0.02 0.01 0.15 -0.05 0.04 0.02 -0.02 0.02 23 6 0.06 -0.01 -0.04 0.14 -0.01 -0.06 0.01 -0.03 0.01 24 6 0.00 0.01 -0.05 0.00 0.03 -0.08 0.00 -0.01 0.01 25 6 -0.05 0.02 0.00 -0.11 0.02 0.03 0.00 0.01 0.02 26 6 0.04 -0.08 -0.02 -0.04 0.08 -0.01 0.04 0.01 0.00 27 6 0.01 -0.09 -0.05 -0.03 0.08 0.01 0.05 0.04 0.00 28 6 -0.00 -0.02 -0.03 -0.00 0.03 -0.01 0.02 0.02 -0.01 29 6 -0.03 -0.02 0.01 0.02 0.02 -0.06 -0.00 -0.00 -0.01 30 6 -0.01 -0.03 0.04 0.01 0.04 -0.08 0.01 -0.00 -0.00 31 6 0.05 -0.05 0.03 -0.04 0.06 -0.06 0.03 0.00 0.00 32 1 -0.01 -0.11 0.06 0.02 0.13 -0.05 0.01 -0.02 0.02 33 1 0.06 0.15 -0.05 -0.04 -0.14 0.04 0.03 0.05 -0.03 34 1 -0.01 0.08 0.12 0.08 -0.01 -0.09 -0.06 -0.04 0.01 35 1 0.00 -0.01 0.05 0.02 -0.04 0.05 -0.01 -0.00 -0.02 36 1 -0.05 0.10 0.03 -0.12 0.18 0.04 0.02 0.09 0.05 37 1 0.02 -0.05 0.11 0.05 -0.13 0.26 0.03 -0.00 0.04 38 1 0.11 -0.05 0.02 0.25 -0.10 0.06 0.02 -0.03 0.02 39 1 -0.01 0.03 -0.10 -0.03 0.06 -0.20 -0.00 -0.01 -0.00 40 1 -0.09 0.03 -0.01 -0.21 0.05 0.01 0.01 0.02 0.02 41 1 0.02 -0.10 -0.07 -0.03 0.09 0.02 0.06 0.04 0.00 42 1 -0.04 0.01 0.02 0.03 -0.01 -0.06 -0.03 -0.03 -0.02 43 1 -0.01 -0.02 0.08 0.01 0.02 -0.11 -0.01 -0.02 0.00 44 1 -0.07 0.06 -0.14 0.07 -0.04 0.10 -0.01 0.03 -0.04 45 1 -0.12 0.13 -0.05 0.09 -0.11 0.03 -0.03 0.05 -0.00 46 1 0.19 0.22 -0.42 0.17 0.13 -0.27 -0.28 -0.25 0.28 47 1 0.16 -0.18 0.17 0.15 -0.07 -0.07 -0.23 0.30 -0.48 48 1 -0.45 0.14 -0.08 -0.09 0.16 -0.08 0.56 0.06 -0.02 19 20 21 A A A Frequencies -- 232.7214 256.4897 277.4900 Red. masses -- 3.4171 5.0276 7.7443 Frc consts -- 0.1090 0.1949 0.3513 IR Inten -- 0.8204 0.2691 0.4401 Atom AN X Y Z X Y Z X Y Z 1 16 -0.09 -0.04 0.13 -0.00 0.02 -0.03 -0.11 0.11 -0.12 2 9 0.02 -0.02 -0.04 0.01 0.02 0.04 0.01 -0.07 0.06 3 9 -0.02 0.02 -0.10 -0.08 -0.12 -0.02 0.03 0.03 0.03 4 8 -0.04 -0.01 0.03 -0.07 -0.09 -0.03 -0.14 -0.10 -0.02 5 7 0.04 -0.01 0.04 -0.03 -0.05 -0.17 -0.01 0.02 0.04 6 7 0.06 0.03 0.02 -0.07 -0.06 -0.08 -0.00 0.01 0.03 7 7 -0.01 0.00 -0.02 0.00 0.02 0.05 -0.00 -0.01 -0.01 8 7 -0.10 -0.04 -0.05 0.01 0.05 0.00 -0.06 0.22 -0.05 9 7 0.04 0.03 -0.03 0.02 -0.03 0.02 0.15 -0.13 0.13 10 6 0.02 0.04 -0.01 -0.05 -0.01 0.06 0.00 -0.01 -0.01 11 6 0.00 -0.03 0.02 0.01 -0.01 -0.11 -0.01 0.00 0.02 12 6 0.03 -0.01 0.03 -0.03 -0.02 -0.06 0.01 -0.00 0.01 13 6 -0.02 0.01 0.01 -0.02 -0.03 -0.02 -0.04 0.03 -0.03 14 6 -0.06 -0.01 -0.01 -0.03 -0.02 -0.03 -0.06 0.09 -0.09 15 6 0.14 0.01 -0.04 -0.03 -0.08 0.05 0.15 0.07 -0.05 16 6 -0.12 -0.03 -0.00 0.01 0.04 -0.01 -0.08 0.17 -0.07 17 6 0.03 0.01 0.09 -0.02 -0.01 -0.03 -0.09 -0.00 -0.14 18 6 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.04 0.07 -0.07 19 6 -0.04 -0.02 0.02 0.04 -0.00 0.03 0.15 -0.07 0.17 20 6 0.05 0.03 -0.03 -0.01 -0.02 0.00 0.01 -0.02 -0.04 21 6 0.01 0.04 -0.04 0.01 -0.03 0.01 0.07 -0.07 -0.02 22 6 -0.05 -0.00 -0.01 0.02 -0.00 0.01 0.08 -0.03 0.03 23 6 -0.05 -0.04 0.02 0.03 0.01 0.02 0.13 -0.05 0.14 24 6 0.00 -0.02 0.03 0.01 -0.01 0.02 0.06 -0.06 0.12 25 6 0.05 0.02 -0.00 -0.00 -0.02 0.01 0.05 -0.08 0.07 26 6 0.04 0.02 -0.01 0.08 0.12 0.05 -0.02 -0.03 -0.02 27 6 0.05 0.04 -0.02 0.21 0.28 0.13 -0.07 -0.12 -0.03 28 6 0.03 0.02 -0.04 0.07 0.10 0.06 -0.02 -0.05 -0.00 29 6 0.01 0.01 -0.04 -0.03 -0.03 0.01 0.01 0.00 0.03 30 6 0.02 0.00 -0.03 -0.00 0.01 0.02 -0.01 -0.01 0.01 31 6 0.04 0.00 -0.03 0.04 0.07 0.04 -0.02 -0.03 0.00 32 1 0.02 0.07 -0.04 -0.07 -0.00 0.18 0.01 -0.02 -0.03 33 1 -0.01 -0.06 0.03 0.05 0.01 -0.17 -0.01 0.00 0.03 34 1 -0.10 -0.06 0.00 -0.07 -0.06 -0.01 -0.19 -0.07 -0.02 35 1 -0.06 -0.04 -0.07 -0.04 -0.04 -0.05 -0.07 0.04 -0.17 36 1 0.10 0.02 0.13 -0.03 -0.03 -0.04 -0.13 -0.08 -0.17 37 1 0.02 0.07 -0.06 0.00 -0.04 0.01 0.07 -0.10 0.01 38 1 -0.08 -0.00 -0.02 0.02 0.01 0.01 0.01 0.02 0.02 39 1 0.01 -0.03 0.06 0.01 -0.00 0.01 0.05 -0.06 0.09 40 1 0.09 0.02 0.00 0.00 -0.04 0.01 0.14 -0.14 0.08 41 1 0.07 0.05 -0.03 0.26 0.36 0.16 -0.10 -0.16 -0.04 42 1 -0.01 -0.01 -0.05 -0.15 -0.19 -0.06 0.05 0.06 0.05 43 1 0.00 -0.01 -0.03 -0.06 -0.07 -0.01 0.01 0.02 0.02 44 1 0.04 0.02 0.06 -0.03 -0.03 -0.07 0.00 -0.00 0.08 45 1 0.03 -0.04 0.02 0.02 0.06 -0.03 0.04 -0.05 -0.01 46 1 0.43 0.34 -0.28 0.12 0.08 -0.09 0.26 0.23 -0.01 47 1 0.40 -0.33 0.17 0.10 -0.22 0.28 0.26 -0.09 -0.08 48 1 -0.24 0.06 -0.05 -0.30 -0.15 0.01 0.15 0.06 -0.05 22 23 24 A A A Frequencies -- 285.8433 292.5169 300.5108 Red. masses -- 5.2381 5.2159 7.0669 Frc consts -- 0.2522 0.2630 0.3760 IR Inten -- 0.7558 0.4470 4.0335 Atom AN X Y Z X Y Z X Y Z 1 16 0.01 -0.05 0.10 -0.02 -0.10 -0.07 -0.07 0.01 -0.05 2 9 0.01 -0.01 0.02 0.01 -0.01 -0.01 -0.01 0.06 -0.07 3 9 0.01 -0.00 0.01 -0.01 0.01 -0.03 -0.03 0.04 -0.06 4 8 0.02 -0.01 -0.04 -0.08 -0.04 0.02 0.15 0.28 0.25 5 7 -0.01 -0.07 -0.08 0.01 0.11 0.11 0.12 -0.23 -0.08 6 7 -0.03 -0.06 -0.04 0.03 0.09 0.06 0.14 -0.08 -0.05 7 7 -0.04 -0.02 0.04 0.06 0.02 -0.05 -0.14 -0.02 0.05 8 7 0.07 0.18 0.07 0.01 -0.01 -0.04 -0.04 0.05 -0.04 9 7 -0.09 -0.07 -0.07 -0.03 -0.09 -0.02 0.05 -0.06 0.03 10 6 -0.05 -0.02 0.04 0.06 0.02 -0.05 -0.02 0.07 0.03 11 6 -0.03 -0.06 -0.05 0.04 0.09 0.06 -0.04 -0.22 -0.02 12 6 -0.00 -0.04 -0.02 0.00 0.05 0.03 -0.03 -0.01 -0.00 13 6 0.01 -0.01 -0.00 -0.03 0.01 0.00 0.00 0.01 0.05 14 6 0.01 0.02 0.01 -0.05 -0.04 -0.02 0.00 -0.01 -0.02 15 6 0.15 0.14 -0.14 -0.11 -0.14 0.10 -0.14 -0.04 0.03 16 6 0.01 0.05 0.04 -0.02 -0.06 -0.04 -0.05 0.02 -0.03 17 6 0.07 0.05 0.09 0.10 0.26 0.05 0.00 0.08 -0.02 18 6 0.07 0.09 0.04 0.05 0.10 0.00 -0.00 0.05 -0.03 19 6 0.02 0.18 -0.01 0.06 0.12 0.04 0.04 0.00 0.07 20 6 -0.03 -0.09 -0.02 -0.01 -0.06 -0.03 0.02 -0.02 -0.05 21 6 -0.10 -0.13 -0.04 -0.06 -0.12 -0.04 0.01 -0.04 -0.05 22 6 -0.04 0.03 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 23 6 0.03 0.18 -0.00 0.07 0.12 0.03 0.04 0.01 0.05 24 6 -0.01 0.01 -0.01 0.00 -0.02 0.02 0.03 -0.03 0.04 25 6 -0.07 -0.14 -0.05 -0.04 -0.13 -0.02 0.03 -0.05 0.00 26 6 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 0.02 27 6 -0.01 -0.02 -0.01 0.02 0.01 0.00 0.01 -0.00 0.01 28 6 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 29 6 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 30 6 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 31 6 -0.00 -0.01 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 32 1 -0.06 0.01 0.09 0.08 -0.02 -0.12 -0.06 0.23 0.07 33 1 -0.02 -0.07 -0.06 0.03 0.11 0.09 -0.09 -0.34 -0.00 34 1 0.10 0.08 0.01 -0.13 -0.06 0.01 0.06 0.22 0.21 35 1 0.02 0.02 0.01 -0.07 -0.06 -0.02 0.06 0.05 -0.05 36 1 0.08 -0.04 0.08 0.14 0.39 0.10 0.01 0.11 -0.01 37 1 -0.15 -0.19 -0.08 -0.11 -0.21 -0.06 0.00 -0.06 -0.06 38 1 -0.04 0.03 -0.01 -0.04 0.01 -0.01 -0.04 0.02 -0.02 39 1 -0.00 -0.00 0.02 0.00 -0.03 0.03 0.03 -0.04 0.05 40 1 -0.11 -0.21 -0.06 -0.05 -0.20 -0.03 0.07 -0.09 0.01 41 1 -0.01 -0.02 -0.01 0.02 0.01 0.01 0.02 0.01 0.02 42 1 0.01 0.01 0.01 -0.00 -0.02 -0.01 0.02 0.01 0.00 43 1 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.02 44 1 -0.01 -0.05 -0.01 0.00 0.05 0.04 0.07 0.16 -0.10 45 1 0.03 -0.02 -0.02 -0.01 0.02 0.03 -0.17 0.02 0.03 46 1 0.13 0.13 -0.11 -0.08 -0.10 0.10 -0.21 -0.14 0.05 47 1 0.13 0.10 -0.41 -0.09 -0.13 0.31 -0.21 0.08 0.08 48 1 0.33 0.34 -0.07 -0.24 -0.30 0.05 -0.12 -0.10 0.01 25 26 27 A A A Frequencies -- 316.7197 343.6770 386.1942 Red. masses -- 7.0781 8.3210 4.4620 Frc consts -- 0.4183 0.5791 0.3921 IR Inten -- 3.6467 2.7821 4.2306 Atom AN X Y Z X Y Z X Y Z 1 16 -0.14 -0.01 0.07 0.08 -0.02 -0.01 -0.01 -0.06 -0.08 2 9 0.04 -0.09 0.15 0.18 -0.22 0.25 0.00 -0.03 -0.01 3 9 0.06 -0.11 0.14 0.06 -0.07 0.04 0.01 0.02 -0.01 4 8 0.28 0.20 -0.27 -0.22 0.21 -0.07 -0.01 -0.01 -0.04 5 7 -0.05 0.06 -0.01 0.09 -0.10 0.02 -0.03 -0.04 -0.09 6 7 -0.07 0.00 -0.01 0.12 -0.01 0.01 -0.08 -0.07 -0.05 7 7 0.05 0.00 0.00 -0.07 -0.01 -0.00 -0.03 -0.02 0.05 8 7 -0.10 -0.02 -0.05 0.05 -0.05 -0.01 -0.03 -0.15 -0.03 9 7 0.04 -0.03 0.03 -0.03 0.02 -0.00 0.02 0.01 -0.00 10 6 -0.00 -0.04 -0.00 0.01 0.06 -0.00 -0.06 -0.04 0.05 11 6 0.01 0.07 -0.01 -0.01 -0.12 0.03 -0.03 -0.03 -0.07 12 6 0.03 -0.04 -0.02 -0.06 0.06 0.02 0.05 -0.03 0.07 13 6 0.08 0.00 -0.08 -0.23 0.16 -0.09 0.02 0.06 0.04 14 6 0.05 -0.03 -0.03 -0.14 0.03 -0.02 0.02 0.18 0.12 15 6 -0.10 -0.04 -0.03 0.00 -0.01 0.04 0.08 0.20 0.21 16 6 -0.10 -0.00 -0.02 0.05 -0.02 -0.00 0.02 0.02 0.04 17 6 -0.01 0.07 0.05 0.02 -0.04 -0.01 0.03 0.17 0.03 18 6 -0.03 0.01 -0.02 0.02 -0.02 0.00 -0.02 -0.04 -0.01 19 6 0.02 -0.02 0.05 0.01 0.00 -0.05 -0.03 -0.03 0.01 20 6 0.01 -0.00 -0.04 -0.04 0.01 0.06 0.00 -0.02 -0.03 21 6 0.02 -0.01 -0.03 -0.02 0.00 0.07 0.01 0.01 -0.03 22 6 0.01 -0.00 -0.01 0.01 -0.01 0.03 0.01 0.03 -0.01 23 6 0.02 -0.01 0.04 -0.00 0.01 -0.03 -0.01 -0.02 0.00 24 6 0.02 -0.01 0.03 -0.03 0.02 -0.03 0.02 0.00 0.01 25 6 0.03 -0.02 0.00 -0.06 0.03 0.02 0.03 0.01 -0.01 26 6 -0.01 0.02 -0.04 -0.02 0.05 -0.11 0.01 0.03 0.01 27 6 -0.01 0.05 -0.02 0.02 0.05 -0.03 -0.03 -0.03 -0.02 28 6 0.00 0.02 -0.01 0.03 0.02 -0.04 -0.01 -0.02 -0.01 29 6 -0.01 0.02 -0.01 0.01 0.01 -0.06 0.01 0.01 -0.01 30 6 -0.03 0.02 0.00 -0.03 0.06 -0.09 0.01 -0.00 -0.02 31 6 -0.02 0.01 0.01 0.01 0.02 -0.09 0.01 0.00 -0.01 32 1 0.00 -0.10 0.01 0.00 0.16 -0.02 -0.07 -0.04 0.12 33 1 0.04 0.12 -0.02 -0.06 -0.19 0.06 -0.00 -0.02 -0.10 34 1 0.50 0.17 -0.27 -0.15 0.23 -0.05 0.01 -0.07 -0.07 35 1 0.12 0.04 -0.08 -0.27 -0.11 0.06 0.03 0.21 0.17 36 1 0.04 0.11 0.09 0.02 -0.03 -0.01 0.04 0.33 0.07 37 1 0.02 -0.02 -0.03 -0.02 -0.01 0.10 0.01 0.01 -0.04 38 1 -0.03 0.02 -0.01 0.06 -0.04 0.04 0.00 0.06 -0.01 39 1 0.02 -0.02 0.04 -0.04 0.03 -0.06 0.03 0.01 0.02 40 1 0.06 -0.04 0.01 -0.10 0.06 0.01 0.07 0.03 -0.00 41 1 0.01 0.06 -0.04 0.02 0.06 -0.01 -0.04 -0.05 -0.03 42 1 -0.04 0.03 -0.01 0.02 -0.02 -0.07 0.04 0.02 -0.00 43 1 -0.02 0.02 -0.02 0.00 0.06 -0.14 0.00 -0.01 -0.02 44 1 -0.03 -0.14 0.09 0.03 0.24 0.20 0.00 -0.10 0.25 45 1 0.16 -0.09 -0.06 -0.03 -0.10 -0.05 0.27 -0.06 0.03 46 1 -0.11 -0.10 -0.12 -0.01 0.03 0.19 0.11 0.28 0.29 47 1 -0.12 0.01 0.08 0.00 -0.03 -0.05 0.12 0.13 0.23 48 1 -0.21 -0.06 -0.04 0.14 -0.07 0.03 0.10 0.11 0.19 28 29 30 A A A Frequencies -- 396.5704 407.7093 409.7146 Red. masses -- 6.4895 6.9766 2.9934 Frc consts -- 0.6013 0.6833 0.2961 IR Inten -- 0.2489 6.4347 0.0376 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.01 2 9 -0.11 -0.14 -0.04 0.10 -0.06 0.01 -0.00 0.00 0.00 3 9 0.09 0.10 0.06 0.04 -0.14 0.25 -0.00 0.00 -0.00 4 8 0.00 -0.02 0.00 0.02 -0.13 0.25 0.00 -0.00 -0.00 5 7 0.01 -0.02 -0.02 -0.00 0.00 0.01 0.00 -0.00 0.01 6 7 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 7 7 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 8 7 -0.00 -0.00 -0.01 -0.02 0.00 0.04 -0.00 0.00 0.00 9 7 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 10 6 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 11 6 0.00 -0.02 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 0.00 12 6 -0.01 0.01 -0.01 -0.00 -0.01 -0.05 -0.01 0.00 -0.01 13 6 0.02 0.01 -0.00 0.09 -0.06 0.02 0.00 -0.00 -0.00 14 6 0.01 -0.00 -0.02 0.06 0.00 0.02 0.00 -0.01 -0.00 15 6 -0.02 -0.03 -0.00 0.01 0.02 0.00 -0.00 -0.00 -0.01 16 6 -0.00 0.00 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 17 6 0.01 -0.01 0.00 -0.02 0.03 0.02 -0.00 -0.01 0.00 18 6 0.01 -0.00 -0.00 -0.02 -0.00 0.03 -0.00 -0.01 0.00 19 6 0.01 0.00 -0.01 -0.03 -0.00 0.01 -0.01 -0.01 -0.00 20 6 -0.00 0.00 0.01 0.02 -0.02 -0.02 0.00 0.00 -0.00 21 6 -0.00 -0.00 0.01 0.01 0.00 -0.03 -0.10 -0.18 -0.03 22 6 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.10 0.19 0.02 23 6 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 24 6 -0.01 0.00 -0.00 0.02 -0.01 0.00 -0.10 -0.18 -0.02 25 6 -0.01 0.00 0.01 0.04 -0.01 -0.02 0.11 0.19 0.02 26 6 0.08 0.10 0.04 0.04 -0.02 -0.02 -0.00 -0.00 -0.00 27 6 -0.03 -0.03 -0.03 -0.09 0.13 -0.17 0.00 0.00 0.00 28 6 -0.14 -0.17 -0.09 -0.12 0.17 -0.16 0.00 -0.00 0.00 29 6 -0.19 -0.25 -0.12 -0.10 0.19 -0.23 -0.00 -0.00 0.00 30 6 0.18 0.25 0.10 -0.07 0.05 -0.07 0.00 0.00 0.00 31 6 0.19 0.26 0.10 0.04 -0.02 -0.07 -0.00 0.00 0.00 32 1 -0.01 0.02 0.02 -0.00 -0.01 -0.01 0.00 0.00 -0.01 33 1 -0.00 -0.02 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.01 34 1 -0.04 -0.06 -0.02 -0.26 -0.18 0.19 0.00 0.00 -0.00 35 1 0.00 -0.01 -0.03 0.09 0.04 0.01 0.00 -0.01 -0.00 36 1 0.01 -0.01 0.01 -0.04 0.04 0.01 -0.00 0.03 0.01 37 1 -0.00 -0.00 0.02 0.01 0.01 -0.06 -0.22 -0.40 -0.05 38 1 0.00 -0.01 0.01 -0.01 0.03 -0.02 0.21 0.39 0.05 39 1 -0.01 0.00 -0.01 0.03 -0.00 0.03 -0.22 -0.40 -0.05 40 1 -0.02 0.00 0.00 0.06 -0.01 -0.02 0.22 0.39 0.05 41 1 -0.01 -0.01 -0.03 0.00 0.12 -0.36 0.00 0.00 0.00 42 1 -0.33 -0.41 -0.19 -0.18 0.26 -0.21 -0.00 -0.01 0.00 43 1 0.24 0.33 0.13 -0.16 0.03 0.08 0.00 0.00 0.00 44 1 -0.00 0.02 -0.10 0.01 -0.01 -0.20 0.00 0.01 -0.04 45 1 -0.08 0.05 0.01 -0.12 0.05 -0.01 -0.04 0.01 -0.00 46 1 -0.01 -0.03 -0.01 -0.01 -0.02 -0.04 -0.00 -0.01 -0.01 47 1 -0.02 -0.02 0.04 -0.01 0.04 0.01 -0.00 -0.00 -0.01 48 1 -0.05 -0.05 -0.01 -0.01 0.04 0.01 -0.00 0.00 -0.00 31 32 33 A A A Frequencies -- 418.0389 436.4316 465.1717 Red. masses -- 2.1810 5.1247 10.4970 Frc consts -- 0.2246 0.5751 1.3383 IR Inten -- 6.3671 1.4564 2.6678 Atom AN X Y Z X Y Z X Y Z 1 16 0.01 0.01 0.01 -0.00 0.02 -0.07 0.00 -0.02 0.02 2 9 0.00 -0.02 -0.03 0.02 -0.02 0.01 -0.28 0.11 0.24 3 9 -0.00 0.01 -0.01 -0.00 0.02 -0.04 0.32 -0.16 -0.20 4 8 -0.01 0.05 0.08 -0.05 0.03 -0.02 -0.02 -0.02 0.14 5 7 -0.03 0.02 -0.06 0.00 0.01 0.00 -0.00 -0.00 -0.01 6 7 -0.05 -0.00 -0.04 0.01 0.02 0.00 -0.01 -0.00 -0.00 7 7 0.04 0.02 0.02 0.02 0.01 -0.00 -0.00 -0.01 -0.00 8 7 0.01 0.03 -0.01 0.01 0.07 0.23 -0.00 0.03 0.00 9 7 -0.01 -0.01 0.00 0.04 0.05 -0.04 0.01 0.04 0.00 10 6 -0.00 -0.02 0.02 0.02 0.01 -0.00 -0.01 -0.01 0.00 11 6 0.02 0.05 -0.05 0.01 0.02 0.00 -0.00 -0.00 -0.00 12 6 0.08 -0.07 0.17 0.00 -0.01 0.05 0.02 -0.02 -0.01 13 6 -0.03 0.01 0.04 -0.08 -0.00 0.01 0.04 0.00 -0.04 14 6 -0.02 -0.04 -0.03 0.00 -0.12 0.06 0.02 0.01 -0.04 15 6 -0.03 -0.06 -0.04 -0.01 -0.04 -0.07 -0.01 -0.02 -0.02 16 6 -0.01 -0.01 -0.02 0.05 -0.06 0.09 0.01 0.04 -0.01 17 6 0.00 -0.05 -0.02 -0.13 0.09 0.08 0.02 0.04 0.02 18 6 0.02 0.02 -0.01 -0.11 -0.01 0.14 -0.00 -0.02 -0.00 19 6 0.02 0.02 -0.01 -0.16 -0.08 0.06 -0.04 -0.08 -0.02 20 6 0.00 0.03 0.02 0.03 -0.16 -0.10 -0.05 -0.08 -0.00 21 6 -0.01 -0.01 0.02 0.06 0.00 -0.13 -0.01 -0.01 0.01 22 6 -0.00 -0.01 0.01 0.01 0.09 -0.05 0.03 0.05 0.02 23 6 0.01 0.01 -0.00 -0.05 -0.04 -0.00 -0.01 -0.02 -0.00 24 6 -0.02 -0.02 -0.00 0.12 0.03 0.02 0.02 0.05 0.01 25 6 -0.01 0.01 0.01 0.13 -0.05 -0.08 -0.01 -0.01 0.00 26 6 0.00 0.03 0.01 -0.05 -0.02 -0.01 -0.03 0.12 -0.05 27 6 -0.03 -0.01 -0.01 0.02 0.03 0.03 -0.07 0.06 -0.18 28 6 -0.01 0.00 -0.02 0.01 -0.02 0.01 0.22 -0.03 -0.24 29 6 0.02 0.02 -0.04 0.00 -0.05 -0.02 0.07 -0.00 0.02 30 6 0.00 0.00 -0.05 0.04 0.05 -0.02 -0.03 -0.10 0.08 31 6 0.01 0.01 -0.03 -0.01 0.01 -0.03 -0.19 0.14 0.18 32 1 -0.00 -0.07 0.06 0.02 -0.00 -0.01 -0.01 -0.01 0.01 33 1 0.05 0.10 -0.07 0.02 0.03 0.00 -0.00 0.01 0.01 34 1 -0.10 -0.05 0.02 0.13 0.23 0.09 -0.29 -0.17 0.03 35 1 -0.02 -0.05 -0.04 -0.06 -0.17 0.12 0.02 0.00 -0.05 36 1 0.01 -0.08 -0.03 -0.26 0.10 0.01 0.03 0.04 0.03 37 1 -0.02 -0.04 0.02 0.08 0.12 -0.22 0.02 0.04 0.02 38 1 0.00 -0.02 0.01 0.01 0.22 -0.05 0.07 0.11 0.03 39 1 -0.04 -0.04 -0.02 0.20 0.11 0.13 0.06 0.13 0.01 40 1 -0.02 0.01 0.01 0.23 -0.01 -0.06 0.01 0.04 0.01 41 1 -0.05 -0.03 -0.02 0.04 0.08 0.07 -0.21 -0.02 -0.05 42 1 0.04 0.02 -0.03 0.01 -0.09 -0.03 -0.18 0.16 0.04 43 1 -0.01 -0.01 -0.05 0.09 0.09 -0.03 -0.00 -0.17 -0.14 44 1 -0.01 -0.18 0.63 -0.01 -0.01 0.20 0.00 -0.04 0.05 45 1 0.58 -0.21 0.05 0.14 -0.05 0.02 0.08 -0.06 -0.04 46 1 -0.04 -0.08 -0.04 -0.04 -0.12 -0.16 -0.02 -0.04 -0.02 47 1 -0.04 -0.04 -0.03 -0.05 -0.02 -0.19 -0.02 0.00 0.02 48 1 -0.03 -0.06 -0.04 0.01 0.12 -0.02 -0.02 -0.05 -0.03 34 35 36 A A A Frequencies -- 470.0453 481.3429 530.0445 Red. masses -- 5.7835 3.5359 1.9421 Frc consts -- 0.7529 0.4827 0.3215 IR Inten -- 2.0598 2.3735 70.5302 Atom AN X Y Z X Y Z X Y Z 1 16 -0.01 0.05 -0.05 -0.00 0.01 -0.00 0.03 -0.00 0.01 2 9 -0.03 0.03 0.06 -0.01 -0.05 -0.01 -0.01 0.01 -0.04 3 9 0.07 -0.03 -0.05 -0.02 0.00 -0.00 0.03 -0.03 0.00 4 8 -0.01 -0.00 0.00 -0.02 -0.01 -0.05 -0.04 -0.02 -0.05 5 7 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.00 0.00 -0.00 6 7 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 0.00 -0.01 7 7 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.00 8 7 -0.04 -0.11 0.07 -0.02 -0.02 0.06 0.02 0.00 -0.01 9 7 -0.05 -0.10 -0.04 -0.01 -0.01 -0.02 0.05 -0.03 0.05 10 6 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 0.00 11 6 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.01 -0.00 -0.01 12 6 0.00 -0.00 -0.00 -0.04 0.04 0.01 -0.01 0.01 0.05 13 6 -0.02 -0.01 0.01 0.01 0.04 0.02 -0.03 -0.01 0.05 14 6 0.01 -0.02 0.09 0.03 -0.03 -0.01 -0.07 -0.01 0.02 15 6 0.01 0.05 0.04 -0.02 -0.04 -0.01 -0.01 0.00 0.01 16 6 0.00 -0.08 0.05 0.01 -0.03 0.01 -0.01 -0.06 -0.01 17 6 -0.11 -0.09 -0.01 -0.05 -0.02 0.02 -0.01 -0.01 -0.00 18 6 -0.03 0.04 0.08 -0.03 0.01 0.05 -0.01 0.02 -0.03 19 6 0.09 0.28 0.08 -0.00 0.07 0.03 0.04 -0.04 0.04 20 6 0.18 0.23 -0.00 0.05 0.03 -0.00 -0.04 0.03 -0.04 21 6 0.05 0.03 -0.05 0.02 0.01 -0.02 -0.02 0.01 -0.04 22 6 -0.09 -0.15 -0.05 -0.02 -0.03 -0.01 -0.01 0.02 -0.04 23 6 0.02 0.06 0.01 -0.00 0.01 -0.00 0.02 -0.01 0.01 24 6 -0.04 -0.18 -0.02 0.01 -0.04 -0.01 -0.04 0.03 -0.01 25 6 0.09 0.01 -0.04 0.04 -0.00 -0.02 -0.04 0.02 -0.01 26 6 -0.07 -0.05 -0.03 0.12 0.17 0.07 0.04 -0.02 0.05 27 6 0.02 0.08 -0.02 -0.09 -0.13 -0.04 -0.01 0.01 -0.05 28 6 0.03 -0.03 -0.06 0.04 0.06 0.04 -0.00 0.03 -0.06 29 6 -0.01 -0.04 -0.03 0.06 0.07 0.03 -0.02 0.04 -0.03 30 6 0.05 0.04 0.03 -0.10 -0.13 -0.07 0.01 -0.05 0.06 31 6 -0.08 -0.03 0.00 0.14 0.18 0.06 0.05 -0.03 0.06 32 1 0.00 -0.00 -0.01 -0.01 0.03 0.03 0.00 0.01 0.01 33 1 -0.00 0.00 0.00 -0.00 -0.03 -0.02 0.01 -0.00 -0.02 34 1 0.06 0.06 0.04 -0.03 -0.10 -0.10 0.50 0.66 0.33 35 1 -0.01 -0.02 0.14 0.00 -0.05 0.00 -0.08 -0.01 0.04 36 1 -0.17 -0.05 -0.04 -0.09 -0.00 0.00 0.00 -0.03 -0.00 37 1 -0.04 -0.09 -0.11 0.00 -0.01 -0.05 -0.02 0.00 -0.02 38 1 -0.23 -0.35 -0.08 -0.05 -0.06 -0.02 -0.05 0.04 -0.05 39 1 -0.14 -0.41 -0.01 -0.00 -0.09 0.02 -0.06 0.03 -0.05 40 1 0.04 -0.13 -0.05 0.04 -0.03 -0.02 -0.04 0.01 -0.01 41 1 0.08 0.18 0.05 -0.30 -0.42 -0.15 0.01 -0.01 -0.13 42 1 -0.05 -0.00 -0.02 0.03 -0.01 0.00 -0.12 0.09 -0.02 43 1 0.14 0.15 0.03 -0.34 -0.45 -0.20 -0.05 -0.08 0.13 44 1 0.00 -0.00 0.01 -0.01 0.08 -0.12 -0.01 0.02 0.04 45 1 0.01 -0.01 -0.00 -0.15 0.11 0.05 -0.02 0.06 0.08 46 1 0.01 0.04 0.01 -0.03 -0.08 -0.06 0.02 0.06 0.07 47 1 0.01 0.04 -0.02 -0.03 -0.00 0.03 0.02 -0.04 -0.03 48 1 0.03 0.12 0.06 -0.06 -0.04 -0.02 0.03 0.00 0.01 37 38 39 A A A Frequencies -- 542.2113 558.9601 564.2828 Red. masses -- 6.4434 1.9784 6.2666 Frc consts -- 1.1161 0.3642 1.1757 IR Inten -- 11.7249 68.7909 0.5155 Atom AN X Y Z X Y Z X Y Z 1 16 0.12 -0.07 0.07 -0.01 -0.00 0.00 0.01 -0.00 -0.01 2 9 0.00 -0.02 0.06 -0.02 -0.02 0.04 0.01 -0.00 0.00 3 9 -0.04 0.03 -0.01 -0.03 0.01 0.00 0.01 0.00 -0.01 4 8 0.03 -0.02 0.07 -0.00 -0.05 0.08 0.00 0.00 -0.03 5 7 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 6 7 -0.01 0.00 0.01 -0.01 0.01 0.02 0.00 -0.01 -0.01 7 7 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 8 7 -0.02 -0.02 0.04 -0.01 -0.02 -0.01 0.00 0.02 0.04 9 7 0.17 -0.13 0.14 -0.03 0.00 -0.00 -0.08 -0.01 0.12 10 6 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 11 6 -0.01 0.00 0.01 -0.01 0.02 0.02 0.00 -0.01 -0.01 12 6 0.02 -0.02 -0.06 0.05 -0.07 -0.08 -0.03 0.04 0.04 13 6 0.04 0.00 -0.05 0.03 -0.03 -0.07 -0.01 0.00 0.04 14 6 0.07 0.00 -0.01 0.00 0.03 -0.03 0.02 -0.04 0.04 15 6 0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 16 6 0.04 0.04 0.01 0.01 0.02 -0.01 0.01 -0.01 0.03 17 6 -0.07 0.01 0.09 0.01 0.02 0.01 -0.02 0.02 0.02 18 6 -0.11 0.03 -0.02 -0.01 -0.03 -0.01 -0.02 -0.01 0.00 19 6 0.12 -0.04 0.20 0.04 0.03 -0.05 0.37 -0.04 -0.36 20 6 -0.13 0.09 -0.13 0.02 -0.02 0.00 0.03 -0.06 -0.12 21 6 -0.06 0.07 -0.17 0.02 0.00 0.01 0.06 0.01 -0.09 22 6 -0.04 0.03 -0.20 -0.01 -0.01 0.04 -0.13 0.03 0.15 23 6 0.05 -0.05 0.03 -0.02 -0.01 0.01 -0.12 -0.03 0.12 24 6 -0.14 0.06 -0.05 -0.01 -0.01 0.02 -0.17 0.05 0.14 25 6 -0.14 0.10 -0.06 0.03 0.00 0.00 0.05 0.02 -0.09 26 6 -0.04 0.04 -0.06 -0.02 0.02 -0.06 -0.01 0.00 0.03 27 6 -0.00 -0.02 0.05 -0.00 -0.03 0.03 -0.02 0.02 -0.00 28 6 0.01 -0.02 0.06 0.03 0.01 0.06 -0.01 -0.01 -0.02 29 6 0.03 -0.04 0.02 0.02 -0.03 0.02 0.01 0.01 -0.02 30 6 -0.02 0.06 -0.09 -0.03 0.04 -0.07 0.02 -0.01 0.00 31 6 -0.05 0.06 -0.07 -0.01 0.09 -0.04 -0.00 -0.02 0.00 32 1 -0.00 -0.01 -0.01 0.01 -0.02 -0.02 -0.00 0.01 0.01 33 1 -0.01 0.01 0.02 -0.01 0.03 0.04 0.01 -0.01 -0.02 34 1 -0.29 -0.33 -0.12 0.30 0.68 0.46 -0.08 -0.24 -0.16 35 1 0.07 0.00 -0.01 0.01 0.04 -0.02 0.01 -0.04 0.04 36 1 -0.08 0.02 0.08 0.02 0.05 0.02 -0.04 -0.00 0.00 37 1 -0.02 0.08 -0.10 0.02 0.03 -0.00 0.08 0.17 -0.25 38 1 -0.18 0.12 -0.22 -0.00 -0.00 0.04 -0.25 0.21 0.14 39 1 -0.18 0.12 -0.21 0.01 -0.01 0.05 -0.09 0.09 0.29 40 1 -0.07 0.09 -0.05 0.04 0.02 0.00 0.27 0.02 -0.04 41 1 -0.05 -0.02 0.14 -0.07 -0.08 0.07 0.00 0.03 -0.01 42 1 0.14 -0.12 0.00 0.06 -0.15 -0.02 0.01 0.04 -0.01 43 1 0.03 0.06 -0.20 -0.03 -0.01 -0.18 0.03 0.01 0.02 44 1 0.01 -0.04 -0.06 0.02 -0.13 -0.00 -0.01 0.06 -0.02 45 1 0.02 -0.06 -0.07 0.09 -0.12 -0.11 -0.07 0.08 0.07 46 1 -0.02 -0.06 -0.06 0.01 0.04 0.05 -0.01 -0.05 -0.07 47 1 -0.02 0.05 0.02 0.00 0.01 0.01 -0.01 0.00 -0.03 48 1 -0.03 0.01 -0.01 0.01 -0.02 -0.01 -0.02 0.05 0.01 40 41 42 A A A Frequencies -- 570.6762 573.1059 585.6075 Red. masses -- 4.1039 3.5789 4.5417 Frc consts -- 0.7874 0.6926 0.9177 IR Inten -- 0.2176 38.4127 1.3178 Atom AN X Y Z X Y Z X Y Z 1 16 0.03 -0.03 -0.01 0.02 0.01 -0.02 -0.08 0.05 -0.01 2 9 -0.02 0.03 -0.07 -0.02 0.00 -0.05 0.01 -0.04 0.06 3 9 0.00 -0.03 0.03 -0.02 -0.04 0.01 -0.02 0.00 -0.06 4 8 -0.03 0.09 -0.00 0.02 0.09 0.02 0.06 -0.04 0.00 5 7 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 6 7 0.00 0.02 0.02 -0.00 0.03 0.04 0.00 0.01 0.00 7 7 0.01 -0.00 -0.01 0.02 -0.00 -0.02 0.01 0.01 -0.00 8 7 -0.02 0.02 0.01 -0.00 -0.02 0.01 0.11 0.04 -0.05 9 7 -0.04 -0.07 -0.03 0.02 0.04 0.03 0.00 -0.04 0.00 10 6 0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.01 0.01 -0.00 11 6 -0.00 0.01 0.02 -0.00 0.03 0.04 0.01 0.01 0.00 12 6 0.02 -0.04 -0.05 0.03 -0.08 -0.09 -0.03 0.02 0.04 13 6 -0.04 -0.00 -0.08 -0.06 -0.06 -0.07 -0.02 -0.08 0.11 14 6 -0.06 0.02 -0.05 -0.08 -0.00 0.06 -0.01 -0.08 0.15 15 6 0.00 -0.00 -0.02 0.01 0.05 0.03 0.01 0.04 0.05 16 6 0.02 0.10 0.01 -0.02 -0.02 0.03 -0.02 -0.12 0.03 17 6 -0.00 0.05 0.04 -0.02 -0.02 -0.01 0.09 -0.00 -0.10 18 6 -0.04 -0.07 -0.00 0.01 0.04 0.02 0.09 0.03 -0.06 19 6 0.08 0.24 0.07 -0.03 -0.14 -0.05 0.04 0.09 0.05 20 6 -0.07 -0.12 0.00 0.04 0.07 -0.01 -0.08 -0.07 0.00 21 6 0.03 0.06 0.03 -0.01 -0.03 -0.03 -0.05 0.03 0.01 22 6 -0.00 -0.04 -0.02 -0.01 0.02 0.01 0.01 0.01 -0.05 23 6 -0.09 -0.18 -0.04 0.05 0.11 0.03 -0.04 -0.11 -0.04 24 6 0.00 -0.05 -0.02 -0.01 0.03 0.02 0.01 0.00 -0.02 25 6 0.04 0.07 0.03 -0.02 -0.04 -0.03 -0.03 0.03 0.04 26 6 0.04 -0.08 -0.03 -0.05 -0.14 -0.06 -0.14 -0.06 0.03 27 6 0.05 -0.03 -0.04 0.01 -0.04 -0.03 -0.10 0.03 0.02 28 6 0.03 0.07 0.00 0.12 0.18 0.06 0.10 0.12 0.05 29 6 -0.07 0.01 0.04 -0.07 -0.04 0.01 0.04 -0.05 -0.10 30 6 -0.01 -0.02 0.11 0.00 0.00 0.06 0.06 0.02 -0.09 31 6 0.06 -0.02 0.08 0.09 0.07 0.07 0.02 0.09 -0.02 32 1 0.01 -0.01 -0.02 0.02 -0.02 -0.04 0.01 -0.00 -0.01 33 1 -0.01 0.03 0.05 -0.01 0.07 0.09 0.01 0.02 0.01 34 1 -0.14 -0.09 -0.10 -0.18 -0.22 -0.15 0.08 -0.17 -0.05 35 1 -0.06 0.01 -0.05 -0.07 0.01 0.08 0.01 -0.05 0.17 36 1 -0.01 0.09 0.04 -0.03 -0.02 -0.02 0.15 -0.18 -0.09 37 1 0.20 0.34 0.08 -0.11 -0.19 -0.07 0.08 0.21 0.08 38 1 0.16 0.19 0.02 -0.12 -0.11 -0.01 0.14 0.20 -0.02 39 1 0.13 0.20 -0.00 -0.09 -0.12 0.01 0.10 0.20 -0.05 40 1 0.17 0.36 0.06 -0.08 -0.21 -0.04 0.04 0.23 0.06 41 1 0.05 -0.08 -0.12 -0.08 -0.18 -0.11 -0.18 -0.06 0.02 42 1 -0.23 -0.03 0.01 -0.32 -0.30 -0.11 -0.06 -0.30 -0.19 43 1 -0.10 -0.09 0.18 -0.15 -0.18 0.04 0.01 -0.09 -0.20 44 1 0.00 -0.05 0.15 0.01 -0.09 0.10 -0.01 0.03 -0.12 45 1 0.16 -0.18 -0.12 0.16 -0.21 -0.16 -0.14 0.14 0.11 46 1 0.02 0.04 0.03 0.05 0.12 0.06 0.02 0.02 -0.04 47 1 0.03 -0.05 -0.06 0.06 -0.05 -0.08 0.02 -0.00 -0.07 48 1 0.05 -0.02 -0.02 0.09 0.12 0.06 0.03 0.21 0.10 43 44 45 A A A Frequencies -- 629.4093 641.1548 655.2085 Red. masses -- 4.2657 5.8053 5.2650 Frc consts -- 0.9957 1.4060 1.3317 IR Inten -- 0.0824 1.1178 7.5804 Atom AN X Y Z X Y Z X Y Z 1 16 -0.06 -0.03 0.00 0.17 -0.05 -0.01 -0.08 0.03 0.04 2 9 0.01 -0.01 -0.00 0.01 -0.02 0.05 -0.00 0.02 -0.04 3 9 -0.01 -0.01 -0.02 -0.03 0.00 -0.03 0.01 -0.04 0.01 4 8 -0.05 -0.02 -0.02 0.08 -0.05 -0.03 -0.09 -0.03 -0.01 5 7 0.00 0.00 0.01 -0.01 0.02 0.04 -0.02 0.07 0.11 6 7 0.01 -0.01 -0.02 0.01 -0.03 -0.05 0.02 -0.08 -0.09 7 7 -0.00 0.01 0.01 -0.00 0.02 0.03 -0.03 0.01 0.06 8 7 0.03 -0.04 -0.02 -0.17 0.08 -0.02 0.05 -0.06 -0.00 9 7 0.01 0.00 0.01 -0.03 0.02 -0.05 0.02 -0.01 0.00 10 6 0.00 0.01 0.01 -0.00 0.01 0.01 -0.02 0.00 0.03 11 6 0.01 -0.02 -0.02 0.01 -0.03 -0.05 0.01 -0.07 -0.10 12 6 -0.03 0.06 0.08 -0.03 0.06 0.11 0.01 0.09 0.06 13 6 -0.03 0.00 0.04 0.04 -0.02 0.10 0.05 0.12 -0.04 14 6 0.09 -0.07 0.01 -0.05 0.09 -0.13 0.19 0.03 -0.03 15 6 0.01 -0.08 -0.09 -0.01 -0.00 -0.02 0.02 -0.01 -0.01 16 6 0.14 0.31 0.12 -0.14 0.07 -0.11 0.08 -0.10 -0.04 17 6 0.05 0.06 -0.01 -0.08 -0.01 0.08 0.02 -0.03 -0.02 18 6 -0.04 -0.20 -0.08 -0.08 -0.01 0.01 0.05 0.09 0.04 19 6 0.01 -0.03 -0.02 -0.07 0.04 0.02 -0.04 0.01 0.08 20 6 0.01 0.06 0.02 0.02 -0.01 -0.00 0.01 -0.02 -0.03 21 6 -0.02 0.07 0.01 0.10 -0.05 0.04 0.08 -0.07 -0.01 22 6 -0.03 -0.02 -0.05 0.05 -0.04 0.10 0.03 -0.01 0.08 23 6 0.05 0.07 -0.00 -0.01 -0.00 0.01 -0.03 -0.01 0.02 24 6 -0.00 -0.04 -0.01 -0.01 0.00 0.01 -0.09 0.07 -0.03 25 6 0.01 0.03 0.04 0.02 -0.00 -0.03 -0.04 0.02 -0.13 26 6 -0.05 -0.04 0.02 -0.10 -0.05 0.05 0.04 -0.02 -0.09 27 6 -0.05 -0.00 -0.01 -0.12 -0.00 0.00 0.05 -0.11 -0.05 28 6 0.06 0.09 0.02 0.11 0.17 0.06 0.11 0.13 0.06 29 6 -0.01 -0.03 -0.04 0.01 -0.08 -0.11 -0.11 -0.06 0.06 30 6 0.05 0.01 0.02 0.13 0.03 -0.02 -0.04 0.12 0.06 31 6 -0.00 -0.03 0.01 -0.05 -0.06 -0.03 -0.06 -0.08 -0.04 32 1 -0.00 0.02 0.01 -0.01 0.01 0.02 -0.03 0.03 0.06 33 1 0.01 -0.03 -0.04 0.04 -0.06 -0.13 0.04 -0.17 -0.24 34 1 0.10 0.11 0.06 0.19 -0.01 0.00 -0.10 0.12 0.06 35 1 0.07 -0.12 -0.06 0.05 0.17 -0.23 0.13 -0.04 0.00 36 1 0.20 0.45 0.15 -0.17 0.13 0.04 0.03 -0.24 -0.05 37 1 -0.11 -0.10 0.02 0.09 -0.07 0.04 0.10 0.00 -0.04 38 1 -0.12 -0.21 -0.07 0.06 -0.06 0.10 0.03 0.08 0.08 39 1 -0.10 -0.20 -0.06 0.00 -0.02 0.05 -0.06 0.13 -0.00 40 1 -0.09 -0.10 0.02 0.03 -0.02 -0.03 0.01 0.05 -0.12 41 1 -0.07 -0.05 -0.04 -0.19 -0.09 -0.03 -0.02 -0.20 -0.07 42 1 -0.11 -0.13 -0.09 -0.12 -0.30 -0.20 -0.24 -0.21 0.00 43 1 0.03 -0.02 0.03 0.13 0.02 -0.05 -0.03 0.14 0.07 44 1 -0.02 0.08 0.08 -0.02 0.07 -0.09 -0.00 0.07 0.15 45 1 -0.02 0.09 0.09 -0.17 0.19 0.18 0.05 -0.02 0.01 46 1 -0.04 -0.22 -0.27 0.02 0.09 0.13 -0.09 -0.19 -0.08 47 1 -0.07 0.02 -0.13 0.03 -0.03 0.09 -0.09 0.20 0.20 48 1 -0.06 0.11 -0.04 -0.00 -0.22 -0.08 -0.12 -0.12 -0.05 46 47 48 A A A Frequencies -- 659.2569 682.2904 702.9684 Red. masses -- 6.6804 4.7819 3.7744 Frc consts -- 1.7106 1.3116 1.0989 IR Inten -- 1.8275 12.6211 20.5762 Atom AN X Y Z X Y Z X Y Z 1 16 0.03 0.00 0.01 0.01 -0.00 -0.02 -0.00 0.00 0.00 2 9 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 3 9 0.01 -0.02 0.00 0.01 0.00 0.01 -0.01 0.01 0.00 4 8 -0.02 -0.02 -0.00 0.06 0.01 0.03 -0.01 0.00 -0.00 5 7 -0.02 0.05 0.08 -0.09 0.13 0.27 0.02 -0.03 -0.05 6 7 0.01 -0.05 -0.07 0.07 -0.06 -0.17 -0.04 0.11 0.19 7 7 -0.02 0.02 0.04 0.01 0.11 0.10 -0.07 0.13 0.23 8 7 -0.04 0.03 0.05 0.01 0.02 -0.00 -0.00 -0.02 -0.00 9 7 -0.03 0.01 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 10 6 -0.01 0.01 0.02 0.03 0.04 0.00 0.05 -0.14 -0.23 11 6 0.01 -0.05 -0.07 0.09 -0.10 -0.20 0.02 -0.08 -0.12 12 6 0.00 0.04 0.03 -0.07 -0.10 -0.01 0.01 0.01 -0.02 13 6 0.04 0.06 -0.01 -0.02 -0.08 -0.04 -0.00 0.01 0.00 14 6 0.05 0.05 -0.05 -0.12 -0.04 0.05 0.01 0.00 -0.01 15 6 0.00 0.01 0.01 -0.01 0.01 0.02 0.00 -0.00 -0.00 16 6 -0.04 -0.10 -0.06 -0.02 0.03 0.05 0.01 0.01 0.00 17 6 -0.05 0.01 0.04 0.01 0.01 -0.01 -0.00 -0.00 0.00 18 6 -0.02 0.04 0.04 -0.00 -0.05 -0.03 0.01 0.02 0.01 19 6 0.13 -0.05 -0.18 -0.01 0.00 0.01 0.00 0.00 -0.00 20 6 -0.04 0.02 0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 21 6 -0.26 0.13 -0.03 0.02 0.01 0.01 -0.01 -0.01 -0.00 22 6 -0.08 0.08 -0.24 0.00 -0.01 0.01 0.00 0.01 -0.00 23 6 0.04 -0.02 -0.05 0.01 0.01 0.00 -0.00 -0.01 -0.00 24 6 0.25 -0.14 0.06 -0.02 0.00 -0.01 0.00 0.00 0.00 25 6 0.07 -0.09 0.29 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 26 6 0.02 -0.00 -0.04 -0.02 -0.04 -0.03 0.01 0.02 0.02 27 6 0.02 -0.06 -0.02 0.04 0.03 0.02 -0.02 0.00 -0.00 28 6 0.06 0.07 0.04 -0.05 -0.08 -0.03 0.00 0.01 0.00 29 6 -0.06 -0.04 0.03 0.03 0.04 0.03 0.01 -0.01 -0.02 30 6 -0.02 0.07 0.02 -0.05 -0.02 -0.03 0.03 -0.01 0.01 31 6 -0.04 -0.04 -0.03 0.05 0.09 0.02 -0.01 -0.02 0.00 32 1 -0.01 0.02 0.03 0.04 0.01 -0.02 0.17 -0.40 -0.68 33 1 0.04 -0.11 -0.17 0.21 -0.24 -0.54 0.06 -0.18 -0.27 34 1 -0.03 0.05 0.02 -0.01 -0.07 -0.02 -0.00 0.02 0.01 35 1 0.05 0.04 -0.04 -0.10 -0.01 0.06 0.00 -0.00 -0.00 36 1 -0.16 -0.13 -0.05 0.05 0.12 0.03 -0.01 -0.03 -0.01 37 1 -0.23 0.14 0.02 0.00 -0.02 0.01 -0.00 0.00 -0.00 38 1 -0.02 0.08 -0.23 -0.02 -0.05 0.01 0.01 0.03 -0.00 39 1 0.24 -0.11 0.02 -0.04 -0.03 -0.01 0.01 0.02 0.00 40 1 0.04 -0.05 0.28 -0.01 -0.00 -0.01 0.00 -0.00 0.00 41 1 -0.02 -0.11 -0.04 0.08 0.09 0.05 -0.04 -0.02 -0.01 42 1 -0.12 -0.12 -0.01 0.08 0.08 0.05 -0.00 -0.01 -0.02 43 1 -0.00 0.09 0.02 -0.09 -0.07 -0.07 0.03 -0.01 0.01 44 1 -0.00 0.02 0.04 -0.10 -0.16 -0.02 0.01 0.01 -0.00 45 1 -0.01 -0.01 0.02 -0.14 -0.19 -0.04 0.05 0.03 -0.02 46 1 -0.03 -0.02 0.05 0.07 0.13 0.04 -0.01 -0.01 -0.01 47 1 -0.02 0.07 0.14 0.06 -0.14 -0.17 -0.01 0.01 0.01 48 1 -0.04 -0.13 -0.04 0.09 0.14 0.06 -0.01 -0.01 -0.01 49 50 51 A A A Frequencies -- 706.6488 718.4335 726.5798 Red. masses -- 5.7202 5.7459 4.8119 Frc consts -- 1.6829 1.7473 1.4967 IR Inten -- 9.2866 13.1249 4.5894 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 -0.02 -0.00 -0.05 0.02 0.03 -0.02 0.01 -0.02 2 9 -0.02 -0.00 0.03 -0.04 0.01 0.05 -0.00 0.02 0.03 3 9 -0.06 0.04 0.02 -0.12 0.07 0.05 -0.03 0.01 0.02 4 8 -0.05 0.02 -0.00 -0.09 0.05 0.00 0.04 0.02 0.02 5 7 -0.02 0.03 0.05 -0.01 0.05 0.07 -0.03 -0.01 0.02 6 7 0.02 -0.02 -0.04 0.01 -0.03 -0.03 0.01 0.02 -0.03 7 7 0.00 -0.01 -0.01 -0.02 -0.01 0.00 0.04 0.02 -0.03 8 7 -0.09 -0.23 -0.06 0.08 0.08 0.06 0.05 -0.04 0.02 9 7 -0.01 -0.01 0.00 0.01 0.00 0.01 0.01 -0.01 0.01 10 6 -0.00 0.02 0.03 -0.01 -0.00 0.02 0.02 0.03 0.00 11 6 0.01 -0.01 -0.01 -0.01 -0.02 -0.02 0.03 0.02 0.02 12 6 0.00 -0.02 -0.05 0.06 -0.03 -0.14 -0.03 -0.13 -0.07 13 6 -0.02 0.00 -0.04 0.02 0.06 -0.09 -0.01 -0.04 -0.04 14 6 0.06 -0.00 -0.02 0.09 0.07 -0.08 -0.17 -0.03 0.02 15 6 0.01 -0.03 -0.03 0.02 0.03 0.01 -0.03 -0.00 0.01 16 6 0.08 0.22 0.06 0.05 -0.17 -0.09 0.04 0.03 0.07 17 6 -0.04 -0.07 -0.01 0.02 0.06 0.02 0.01 -0.01 -0.01 18 6 0.08 0.29 0.11 -0.04 -0.11 -0.01 0.02 0.01 0.02 19 6 0.02 0.02 -0.01 -0.01 -0.03 0.01 0.01 -0.01 0.01 20 6 0.04 0.07 0.01 -0.03 -0.07 -0.01 0.01 0.01 0.01 21 6 -0.07 -0.10 -0.03 0.02 0.07 0.01 -0.02 -0.00 -0.01 22 6 0.03 0.08 -0.01 -0.04 -0.05 -0.01 -0.01 0.02 -0.01 23 6 -0.07 -0.12 -0.02 0.05 0.10 0.01 -0.01 -0.01 -0.00 24 6 0.07 0.06 0.02 -0.04 -0.05 -0.02 -0.00 0.01 -0.01 25 6 -0.03 -0.11 -0.00 0.03 0.07 -0.01 -0.01 -0.01 -0.02 26 6 -0.06 -0.04 0.04 -0.03 -0.01 0.05 0.21 0.28 0.11 27 6 -0.06 0.07 0.01 -0.10 0.08 -0.00 -0.05 -0.06 -0.03 28 6 -0.04 -0.01 -0.01 -0.05 0.02 -0.00 0.06 0.09 0.04 29 6 0.09 0.00 -0.09 0.13 -0.02 -0.15 -0.03 -0.09 -0.07 30 6 0.13 -0.13 0.02 0.24 -0.21 0.05 0.09 0.03 0.02 31 6 0.04 0.01 0.07 0.03 -0.04 0.10 -0.16 -0.21 -0.07 32 1 -0.02 0.06 0.08 -0.02 0.02 0.04 0.02 0.02 0.04 33 1 0.01 -0.02 -0.04 -0.00 -0.05 -0.06 0.06 0.02 -0.04 34 1 0.02 0.16 0.07 -0.22 0.01 -0.03 -0.03 -0.06 -0.03 35 1 0.05 -0.03 -0.07 0.04 0.04 0.00 -0.19 -0.01 0.11 36 1 -0.13 -0.33 -0.11 -0.01 -0.13 -0.03 0.04 0.04 0.01 37 1 -0.01 0.03 -0.03 0.02 0.07 -0.01 -0.02 0.01 -0.03 38 1 0.16 0.34 0.02 -0.11 -0.18 -0.03 -0.01 0.04 -0.01 39 1 0.21 0.30 0.07 -0.12 -0.19 -0.04 0.01 0.03 -0.01 40 1 0.02 -0.02 0.01 0.02 0.06 -0.01 -0.01 0.00 -0.02 41 1 -0.03 0.11 0.00 -0.07 0.10 -0.04 -0.24 -0.34 -0.16 42 1 0.06 0.02 -0.08 0.09 0.01 -0.14 0.07 0.03 -0.01 43 1 0.09 -0.17 0.02 0.22 -0.22 0.07 0.27 0.26 0.10 44 1 -0.01 -0.04 0.04 0.03 -0.07 0.04 -0.05 -0.16 -0.13 45 1 0.04 -0.11 -0.08 0.14 -0.22 -0.23 -0.10 -0.13 -0.06 46 1 -0.02 -0.10 -0.12 -0.05 -0.04 0.09 0.08 0.18 0.10 47 1 -0.04 0.05 -0.02 -0.03 0.15 0.22 0.08 -0.21 -0.19 48 1 -0.04 0.04 -0.02 -0.05 -0.22 -0.06 0.12 0.08 0.04 52 53 54 A A A Frequencies -- 742.4239 778.0528 780.5871 Red. masses -- 1.9398 2.3610 4.8527 Frc consts -- 0.6300 0.8421 1.7421 IR Inten -- 10.0516 33.1591 23.2799 Atom AN X Y Z X Y Z X Y Z 1 16 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.04 2 9 -0.01 0.00 0.00 -0.01 0.01 0.01 -0.12 0.06 0.08 3 9 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.07 0.02 0.06 4 8 -0.01 0.01 0.00 0.01 -0.00 0.00 0.06 -0.03 -0.00 5 7 0.00 0.01 0.01 0.01 0.01 0.00 0.06 0.08 0.01 6 7 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.03 -0.07 0.02 7 7 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.07 -0.07 0.03 8 7 0.03 0.06 0.03 0.01 -0.04 -0.02 -0.00 -0.01 0.02 9 7 -0.01 -0.01 -0.00 -0.02 0.02 -0.02 0.04 -0.03 0.04 10 6 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.06 -0.06 0.03 11 6 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.07 -0.01 -0.03 12 6 0.02 0.01 -0.02 0.03 0.03 -0.00 0.19 0.21 0.01 13 6 0.01 0.02 -0.01 0.01 0.01 0.00 0.05 0.05 0.02 14 6 0.01 0.01 -0.01 -0.03 -0.01 0.01 -0.18 -0.01 0.02 15 6 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.04 -0.08 -0.05 16 6 -0.00 -0.07 -0.02 0.02 0.01 0.01 -0.02 0.02 0.05 17 6 -0.03 -0.08 -0.04 -0.07 -0.13 -0.06 0.04 0.01 0.02 18 6 -0.02 -0.06 -0.02 0.03 0.16 0.03 0.03 -0.04 0.03 19 6 0.02 0.04 0.00 -0.03 -0.02 -0.03 0.03 -0.02 0.03 20 6 0.06 0.11 0.01 -0.09 -0.11 -0.04 0.05 -0.01 0.04 21 6 -0.02 -0.05 -0.01 0.06 0.02 -0.03 -0.07 0.02 0.03 22 6 0.03 0.06 0.00 -0.01 -0.07 -0.03 -0.05 0.03 0.03 23 6 -0.07 -0.12 -0.01 0.07 0.10 0.03 -0.03 0.00 -0.02 24 6 0.03 0.06 0.01 -0.04 -0.06 0.03 0.02 0.01 -0.06 25 6 -0.03 -0.06 -0.01 0.01 0.02 0.05 0.02 -0.00 -0.08 26 6 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.08 -0.08 -0.07 27 6 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.15 -0.09 -0.04 28 6 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.00 29 6 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.04 0.01 -0.09 30 6 0.02 -0.02 0.00 0.00 0.00 -0.01 0.03 0.00 -0.07 31 6 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.02 0.00 32 1 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.07 -0.01 0.02 33 1 -0.01 -0.01 -0.00 -0.02 -0.02 -0.00 -0.13 -0.09 0.02 34 1 -0.04 -0.02 -0.01 0.01 -0.00 0.00 0.03 -0.06 -0.02 35 1 0.00 0.01 0.02 -0.03 -0.01 0.03 -0.19 0.00 0.07 36 1 0.22 0.80 0.27 0.21 0.74 0.26 -0.02 -0.14 -0.05 37 1 -0.11 -0.22 -0.02 0.20 0.22 0.05 -0.10 0.04 -0.05 38 1 0.05 0.12 0.01 -0.02 -0.01 -0.04 -0.01 0.01 0.04 39 1 0.08 0.15 0.03 -0.01 0.01 0.02 0.03 -0.01 -0.02 40 1 -0.09 -0.17 -0.02 0.20 0.25 0.10 -0.08 0.01 -0.10 41 1 0.00 0.01 -0.00 0.03 -0.01 -0.02 0.26 -0.05 -0.17 42 1 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.11 -0.08 -0.11 43 1 0.01 -0.02 0.00 0.00 -0.00 -0.02 0.03 -0.03 -0.14 44 1 0.02 0.00 0.00 0.03 0.03 -0.00 0.21 0.25 0.00 45 1 0.03 -0.02 -0.03 0.03 0.04 -0.00 0.20 0.27 0.03 46 1 -0.01 0.00 0.03 0.01 0.02 0.02 0.07 0.11 0.06 47 1 -0.00 0.03 0.05 0.01 -0.03 -0.03 0.07 -0.29 -0.23 48 1 -0.01 -0.05 -0.01 0.02 0.00 0.00 0.11 -0.03 -0.03 55 56 57 A A A Frequencies -- 786.2574 787.3903 799.3798 Red. masses -- 4.7981 5.8955 3.4898 Frc consts -- 1.7476 2.1535 1.3139 IR Inten -- 6.3902 18.8334 3.6885 Atom AN X Y Z X Y Z X Y Z 1 16 0.03 -0.02 0.03 0.03 -0.00 -0.03 -0.07 0.01 0.04 2 9 -0.04 0.02 0.03 0.16 -0.07 -0.11 0.04 -0.02 -0.03 3 9 -0.03 0.01 0.02 0.08 -0.03 -0.08 0.03 -0.01 -0.03 4 8 -0.02 0.01 0.00 -0.01 0.02 0.01 0.08 -0.03 0.02 5 7 0.02 0.04 0.02 0.05 0.12 0.07 0.01 0.00 -0.01 6 7 -0.01 -0.03 0.00 -0.03 -0.08 -0.00 -0.01 -0.00 0.00 7 7 -0.03 -0.02 0.01 -0.07 -0.07 0.03 -0.01 -0.00 0.00 8 7 0.04 0.02 -0.05 -0.05 0.02 -0.01 0.16 -0.08 0.03 9 7 -0.10 0.06 -0.10 0.01 -0.01 0.01 -0.02 0.01 -0.02 10 6 -0.02 -0.02 0.01 -0.06 -0.06 0.04 -0.01 -0.01 0.00 11 6 -0.03 -0.01 -0.01 -0.08 -0.01 -0.04 -0.01 0.00 -0.01 12 6 0.08 0.05 -0.05 0.29 0.09 -0.19 0.01 0.03 0.04 13 6 0.00 0.02 -0.00 0.04 0.05 0.00 0.02 -0.01 0.01 14 6 -0.00 -0.08 0.11 -0.05 -0.05 0.08 -0.15 0.12 -0.15 15 6 0.00 -0.02 0.02 -0.01 -0.06 -0.02 -0.04 -0.02 -0.08 16 6 -0.01 -0.02 0.03 -0.08 0.01 0.04 0.20 -0.01 -0.02 17 6 -0.04 0.10 -0.00 0.03 -0.01 -0.01 -0.06 0.03 0.03 18 6 -0.09 -0.01 -0.12 0.02 -0.01 -0.01 -0.05 0.00 0.04 19 6 -0.07 0.07 -0.07 0.01 -0.01 0.01 -0.01 0.02 -0.02 20 6 -0.08 0.12 -0.09 0.01 -0.01 0.01 -0.01 0.04 -0.02 21 6 0.18 -0.09 -0.10 -0.02 0.01 0.02 0.04 -0.02 -0.05 22 6 0.15 -0.04 -0.07 -0.01 0.00 0.01 0.03 0.00 -0.04 23 6 0.03 -0.08 0.05 -0.00 0.01 -0.01 -0.00 -0.03 0.01 24 6 -0.04 0.03 0.16 0.00 -0.00 -0.02 -0.01 0.02 0.04 25 6 -0.07 -0.00 0.21 0.00 0.00 -0.02 -0.01 -0.00 0.04 26 6 0.06 0.02 -0.01 -0.10 0.12 0.10 -0.07 -0.03 0.01 27 6 0.05 -0.03 -0.02 -0.21 0.13 0.06 -0.07 0.04 0.02 28 6 -0.01 0.01 0.00 0.03 -0.02 0.00 0.01 -0.01 0.00 29 6 0.01 -0.01 -0.04 -0.05 -0.03 0.12 -0.00 0.01 0.04 30 6 0.02 -0.01 -0.02 -0.04 -0.00 0.09 -0.02 0.02 0.01 31 6 -0.01 -0.01 -0.00 -0.00 -0.03 -0.00 0.01 0.02 -0.00 32 1 -0.02 -0.00 0.01 -0.07 -0.01 0.04 -0.01 -0.01 0.00 33 1 -0.04 -0.04 -0.01 -0.11 -0.10 -0.05 -0.01 0.01 0.01 34 1 -0.03 -0.00 -0.01 -0.08 0.06 0.03 0.04 -0.16 -0.05 35 1 -0.05 -0.15 0.08 -0.08 -0.11 0.03 -0.13 0.24 0.08 36 1 -0.11 -0.40 -0.13 0.03 0.02 -0.00 -0.08 -0.16 -0.01 37 1 0.17 -0.29 0.11 -0.02 0.03 0.00 0.02 -0.09 -0.02 38 1 0.03 -0.02 -0.10 0.01 -0.00 0.02 -0.03 0.01 -0.05 39 1 -0.10 0.03 0.04 0.01 0.00 -0.01 -0.03 -0.01 0.02 40 1 0.09 -0.25 0.23 -0.02 0.04 -0.02 0.02 -0.11 0.04 41 1 0.04 -0.09 -0.09 -0.37 0.06 0.23 -0.04 0.12 0.12 42 1 0.06 0.02 -0.02 -0.13 0.09 0.15 -0.08 -0.06 0.01 43 1 0.05 0.03 -0.02 -0.04 0.03 0.17 -0.08 -0.06 -0.01 44 1 0.08 0.05 0.00 0.27 0.06 -0.19 0.03 0.05 -0.05 45 1 0.11 0.03 -0.06 0.23 0.09 -0.18 -0.04 0.10 0.08 46 1 -0.00 -0.09 -0.16 -0.00 -0.08 -0.12 0.07 0.30 0.37 47 1 -0.03 -0.02 -0.12 -0.01 -0.08 -0.12 0.12 -0.25 -0.01 48 1 -0.02 0.24 0.10 -0.02 0.10 0.03 0.17 -0.43 -0.18 58 59 60 A A A Frequencies -- 834.1878 855.5247 874.4822 Red. masses -- 1.4545 1.3951 1.7048 Frc consts -- 0.5963 0.6016 0.7681 IR Inten -- 35.9494 10.4621 22.5588 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 -0.01 0.02 -0.03 2 9 -0.01 -0.01 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 5 7 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 0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.02 9 7 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 10 6 -0.00 -0.00 0.00 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 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 13 6 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 14 6 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 15 6 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 16 6 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 17 6 -0.00 0.00 0.00 0.01 -0.01 0.04 0.05 -0.02 0.08 18 6 -0.00 0.00 0.00 -0.01 -0.04 -0.01 0.00 -0.07 -0.00 19 6 0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.02 -0.03 -0.01 20 6 0.00 -0.00 0.00 0.03 0.06 0.01 0.05 0.08 0.01 21 6 -0.00 0.00 0.00 -0.05 -0.10 -0.02 0.00 -0.02 -0.02 22 6 -0.00 0.00 0.00 -0.04 -0.08 -0.02 0.01 -0.01 -0.03 23 6 -0.00 -0.00 -0.00 0.03 0.04 0.01 0.04 0.06 0.01 24 6 0.00 -0.00 -0.00 0.01 0.03 0.01 -0.08 -0.08 0.00 25 6 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.07 -0.08 0.01 26 6 -0.02 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 27 6 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 28 6 0.04 0.06 0.02 0.00 0.00 0.00 0.00 0.00 0.00 29 6 -0.06 -0.08 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 30 6 -0.07 -0.08 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 31 6 0.05 0.07 0.03 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 -0.02 0.03 0.05 0.00 0.00 0.00 -0.01 0.02 0.03 34 1 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.01 35 1 0.01 0.02 -0.01 0.00 0.01 -0.00 0.00 0.02 -0.01 36 1 -0.00 0.00 -0.00 0.06 0.00 0.07 0.08 -0.11 0.09 37 1 -0.00 -0.00 -0.00 0.35 0.58 0.07 0.05 0.03 0.01 38 1 -0.00 -0.00 0.00 0.30 0.55 0.06 0.01 0.06 -0.03 39 1 0.00 -0.00 0.00 -0.12 -0.18 -0.03 0.30 0.65 0.07 40 1 -0.00 -0.00 -0.00 -0.11 -0.20 -0.01 0.28 0.55 0.09 41 1 -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 0.02 0.01 42 1 0.38 0.51 0.21 0.00 0.00 0.00 -0.00 0.00 0.01 43 1 0.40 0.53 0.21 0.00 0.00 0.00 0.01 -0.00 0.00 44 1 0.00 0.02 0.02 -0.00 -0.00 0.00 -0.01 0.00 0.01 45 1 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 46 1 0.00 0.01 0.02 -0.00 0.00 0.01 0.00 0.01 0.02 47 1 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 0.00 48 1 0.00 -0.03 -0.01 0.00 -0.01 -0.01 0.01 -0.04 -0.02 61 62 63 A A A Frequencies -- 881.5733 883.4736 904.0708 Red. masses -- 1.3440 3.5820 1.3604 Frc consts -- 0.6154 1.6473 0.6551 IR Inten -- 13.3618 15.2046 19.7189 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 -0.01 -0.02 0.05 -0.11 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 -0.01 -0.01 -0.00 4 8 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 5 7 -0.01 0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 6 7 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 7 7 -0.00 0.02 0.03 0.00 -0.00 -0.01 0.00 0.00 0.00 8 7 -0.01 -0.00 0.00 -0.06 -0.01 0.04 -0.00 0.00 0.00 9 7 -0.00 0.00 -0.00 -0.02 0.00 -0.01 0.00 0.00 0.00 10 6 0.01 -0.01 -0.02 -0.00 0.01 0.01 0.00 -0.00 -0.01 11 6 0.04 -0.07 -0.13 -0.01 0.02 0.04 0.00 0.00 -0.00 12 6 -0.02 0.01 0.01 -0.01 -0.00 0.01 0.01 -0.03 -0.00 13 6 0.01 0.00 -0.01 0.01 0.01 -0.01 0.02 0.03 0.01 14 6 -0.00 -0.00 0.00 0.00 0.03 -0.03 -0.01 -0.01 0.01 15 6 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 16 6 -0.01 0.00 0.01 -0.06 0.01 0.04 -0.01 -0.00 0.01 17 6 0.02 -0.02 0.02 0.16 -0.15 0.22 -0.00 0.01 -0.01 18 6 0.01 0.00 0.01 0.10 -0.01 0.08 -0.00 0.00 -0.00 19 6 0.00 0.00 -0.00 0.00 0.03 -0.00 -0.00 -0.00 0.00 20 6 -0.00 -0.01 -0.00 -0.02 -0.09 0.00 -0.00 0.00 -0.00 21 6 0.01 0.00 -0.01 0.06 0.02 -0.05 -0.00 -0.00 0.00 22 6 0.01 0.00 -0.01 0.04 0.03 -0.11 -0.00 -0.00 0.00 23 6 -0.00 -0.01 0.00 -0.01 -0.06 0.01 0.00 0.00 0.00 24 6 -0.01 0.01 0.01 -0.07 0.09 0.06 0.00 -0.00 -0.00 25 6 -0.00 0.01 0.01 -0.04 0.07 0.08 0.00 -0.00 -0.00 26 6 0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.02 0.00 27 6 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.08 -0.11 -0.05 28 6 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.04 0.05 0.02 29 6 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.02 -0.03 -0.01 30 6 0.01 -0.00 0.01 0.00 -0.01 0.01 0.02 0.02 0.01 31 6 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 0.01 32 1 -0.04 0.11 0.18 0.02 -0.04 -0.07 -0.01 0.01 0.04 33 1 -0.21 0.46 0.81 0.07 -0.15 -0.26 0.01 0.01 0.00 34 1 -0.01 0.01 0.01 -0.01 0.03 0.02 -0.02 0.01 -0.00 35 1 -0.00 -0.00 -0.00 0.03 0.05 -0.05 -0.02 -0.02 0.01 36 1 0.04 -0.01 0.04 0.36 -0.13 0.35 -0.01 0.01 -0.02 37 1 -0.01 -0.03 -0.00 -0.03 -0.20 -0.01 0.00 0.00 0.00 38 1 -0.02 -0.02 -0.02 -0.17 -0.16 -0.16 0.01 0.01 0.00 39 1 -0.05 -0.05 -0.01 -0.31 -0.26 -0.09 0.01 0.00 0.00 40 1 -0.03 -0.05 0.00 -0.19 -0.25 0.04 0.00 0.00 -0.00 41 1 -0.00 0.01 0.00 0.04 0.07 0.03 0.51 0.71 0.29 42 1 -0.03 -0.04 -0.01 0.01 0.03 0.02 0.15 0.21 0.09 43 1 -0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.11 -0.15 -0.06 44 1 -0.03 -0.00 0.03 -0.01 0.00 0.01 0.01 -0.04 -0.07 45 1 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.05 -0.00 0.02 46 1 0.00 0.01 -0.00 -0.00 0.01 0.03 0.00 -0.01 -0.02 47 1 0.00 -0.01 -0.01 0.01 -0.00 0.03 -0.00 -0.02 -0.03 48 1 0.01 0.01 0.01 0.00 -0.10 -0.05 0.00 0.03 0.01 64 65 66 A A A Frequencies -- 908.3687 910.4852 934.6335 Red. masses -- 1.8549 2.3301 5.0965 Frc consts -- 0.9018 1.1381 2.6230 IR Inten -- 5.1326 8.5107 3.3797 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 -0.05 2 9 -0.02 0.01 0.02 0.03 -0.01 -0.03 0.00 0.00 -0.00 3 9 0.03 -0.01 -0.02 -0.04 0.02 0.03 -0.00 0.00 0.00 4 8 -0.05 0.05 -0.01 0.07 -0.07 0.02 0.01 -0.01 0.01 5 7 -0.00 0.01 0.02 0.00 -0.01 -0.02 0.00 0.01 0.00 6 7 -0.02 0.02 0.01 0.02 0.00 0.03 0.01 -0.01 0.01 7 7 -0.01 0.01 0.03 -0.01 0.02 0.01 -0.01 -0.00 0.00 8 7 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.17 0.02 -0.20 9 7 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 10 6 0.03 -0.09 -0.13 0.03 -0.06 -0.12 -0.00 -0.00 0.00 11 6 -0.01 0.02 0.01 -0.00 0.01 0.05 -0.00 -0.00 0.00 12 6 0.07 -0.07 -0.03 -0.10 0.10 0.04 -0.01 0.02 -0.01 13 6 -0.02 -0.02 0.07 0.02 0.03 -0.10 -0.01 -0.01 -0.01 14 6 0.01 0.02 -0.01 -0.02 -0.03 0.02 -0.00 -0.05 0.01 15 6 0.01 0.00 -0.02 -0.02 0.00 0.03 0.01 0.01 0.07 16 6 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.06 -0.00 -0.05 17 6 -0.00 -0.01 0.02 0.00 0.01 -0.03 -0.15 -0.08 0.36 18 6 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.14 0.09 -0.12 19 6 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 20 6 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 0.03 -0.06 21 6 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.01 0.06 22 6 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.02 0.14 23 6 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.02 24 6 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 -0.06 -0.06 25 6 -0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.01 -0.05 26 6 0.00 -0.03 0.06 -0.01 0.04 -0.09 0.01 0.01 0.00 27 6 0.03 -0.03 0.05 -0.04 0.06 -0.07 -0.01 -0.00 -0.01 28 6 -0.01 -0.00 0.01 0.01 -0.00 -0.02 0.00 0.00 -0.00 29 6 -0.01 0.04 -0.06 0.02 -0.05 0.09 -0.01 -0.01 0.00 30 6 -0.03 0.04 -0.03 0.04 -0.05 0.05 0.01 0.01 0.00 31 6 0.02 -0.01 -0.01 -0.02 0.02 0.01 -0.01 -0.00 -0.00 32 1 -0.19 0.43 0.75 -0.16 0.41 0.60 -0.00 0.01 -0.01 33 1 0.03 -0.04 -0.12 0.07 -0.17 -0.22 -0.01 -0.01 -0.00 34 1 0.04 -0.03 -0.04 -0.05 0.05 0.06 0.01 -0.05 -0.01 35 1 0.03 0.03 -0.03 -0.04 -0.04 0.04 -0.05 -0.14 -0.08 36 1 0.01 -0.02 0.03 -0.01 0.02 -0.04 0.15 -0.18 0.55 37 1 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.04 0.00 0.10 38 1 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 -0.15 0.15 39 1 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.14 -0.10 0.03 40 1 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.02 -0.06 41 1 0.01 -0.09 -0.00 -0.06 0.06 -0.03 0.02 0.03 0.01 42 1 0.02 -0.00 -0.07 -0.03 0.00 0.10 0.04 0.05 0.03 43 1 -0.07 0.05 0.05 0.10 -0.05 -0.07 -0.04 -0.06 -0.03 44 1 0.07 -0.08 -0.22 -0.10 0.13 0.32 -0.02 0.02 0.08 45 1 -0.09 0.03 0.03 0.13 -0.05 -0.05 0.07 -0.01 -0.04 46 1 -0.02 -0.04 0.01 0.03 0.06 -0.01 -0.00 -0.08 -0.15 47 1 -0.01 0.06 0.08 0.02 -0.08 -0.10 -0.05 0.08 -0.05 48 1 -0.03 -0.09 -0.05 0.04 0.13 0.06 -0.05 0.28 0.14 67 68 69 A A A Frequencies -- 946.5591 955.8878 976.7337 Red. masses -- 1.4632 2.1299 7.1313 Frc consts -- 0.7724 1.1466 4.0084 IR Inten -- 3.1571 11.1210 8.9319 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 0.01 0.01 -0.02 0.01 0.01 -0.00 0.00 0.00 3 9 0.02 -0.01 -0.02 0.04 -0.02 -0.04 0.00 -0.00 -0.00 4 8 0.03 -0.02 -0.00 0.06 -0.05 -0.00 -0.01 0.00 -0.00 5 7 -0.00 0.02 0.00 -0.00 0.03 0.00 0.08 -0.09 0.07 6 7 0.03 -0.02 0.01 0.06 -0.04 0.03 -0.08 -0.22 0.11 7 7 -0.01 -0.00 -0.00 -0.02 -0.00 -0.01 0.08 0.42 -0.23 8 7 -0.01 -0.00 0.01 -0.01 -0.00 0.01 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 6 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.33 -0.06 -0.04 11 6 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.22 -0.02 0.07 12 6 -0.04 0.05 -0.04 -0.09 0.10 -0.11 0.05 -0.00 0.00 13 6 -0.04 -0.03 -0.01 -0.06 -0.02 -0.01 0.02 0.02 0.01 14 6 0.01 0.00 -0.02 0.01 -0.01 -0.02 -0.00 0.01 0.02 15 6 0.01 0.02 0.00 0.01 0.02 0.01 -0.00 -0.02 -0.02 16 6 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 17 6 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 18 6 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 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 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 23 6 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 24 6 -0.01 0.00 0.00 -0.01 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 -0.01 0.03 0.03 0.02 0.10 -0.01 -0.01 0.00 27 6 0.02 0.02 0.05 -0.03 -0.08 0.08 0.00 0.00 0.01 28 6 -0.01 -0.00 0.01 -0.01 0.01 0.03 -0.00 -0.00 0.00 29 6 -0.06 -0.05 -0.07 0.02 0.09 -0.07 -0.00 0.00 -0.01 30 6 0.04 0.09 0.02 -0.06 -0.01 -0.04 0.00 0.00 0.00 31 6 -0.00 -0.02 -0.01 0.02 -0.02 0.00 0.00 -0.00 0.00 32 1 -0.00 0.03 -0.02 -0.01 0.08 -0.04 -0.33 -0.31 0.08 33 1 -0.02 -0.01 0.03 -0.02 -0.06 0.01 -0.04 -0.46 0.24 34 1 0.05 -0.02 0.00 0.09 -0.05 0.00 -0.00 0.02 0.01 35 1 0.03 0.02 -0.02 0.01 -0.01 -0.04 -0.00 0.02 0.03 36 1 -0.00 0.00 -0.02 -0.00 0.00 -0.01 0.00 0.00 0.01 37 1 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 38 1 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 39 1 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 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 -0.12 -0.18 -0.02 0.15 0.19 0.22 -0.01 -0.02 -0.00 42 1 0.37 0.49 0.16 -0.18 -0.27 -0.22 0.01 0.02 -0.00 43 1 -0.41 -0.47 -0.15 0.10 0.32 0.27 -0.02 -0.02 0.00 44 1 -0.05 0.05 0.20 -0.14 0.06 0.43 0.07 0.04 -0.00 45 1 0.16 -0.05 -0.11 0.34 -0.16 -0.26 0.01 -0.03 -0.00 46 1 -0.01 0.01 0.03 -0.01 0.00 0.01 0.00 -0.01 -0.00 47 1 -0.00 0.04 0.05 -0.01 0.06 0.05 0.00 -0.03 -0.02 48 1 -0.01 -0.03 -0.01 -0.02 0.00 0.00 0.00 -0.03 -0.02 70 71 72 A A A Frequencies -- 981.5712 999.9974 1004.0072 Red. masses -- 1.3257 1.3320 2.5856 Frc consts -- 0.7525 0.7848 1.5357 IR Inten -- 0.1010 0.6770 4.3979 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 0.01 -0.00 -0.01 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 0.01 -0.00 -0.01 4 8 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.01 -0.01 5 7 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.03 -0.02 6 7 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 7 7 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.01 8 7 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.02 9 7 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 10 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 0.02 -0.01 11 6 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.03 0.03 12 6 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.01 -0.03 13 6 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.12 0.12 0.01 14 6 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.06 0.10 0.16 15 6 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.06 -0.13 -0.12 16 6 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.02 0.06 17 6 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 18 6 0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.03 -0.05 19 6 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 20 6 -0.01 -0.01 -0.00 0.01 0.02 0.00 -0.03 0.01 -0.03 21 6 0.05 0.10 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 22 6 -0.06 -0.10 -0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.05 23 6 0.01 0.02 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 24 6 0.00 0.00 0.00 0.06 0.10 0.01 0.03 -0.03 -0.02 25 6 -0.00 -0.00 -0.00 -0.06 -0.11 -0.01 0.01 0.01 0.00 26 6 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.00 27 6 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.05 28 6 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 29 6 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.05 30 6 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 31 6 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 32 1 -0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.02 0.00 33 1 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.00 0.01 34 1 0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.10 0.08 0.02 35 1 -0.00 -0.01 -0.01 0.01 0.02 0.03 0.18 0.36 0.39 36 1 -0.01 -0.02 0.00 -0.00 -0.01 -0.00 0.07 -0.01 0.05 37 1 -0.32 -0.57 -0.05 -0.01 -0.02 -0.01 -0.01 -0.01 0.01 38 1 0.35 0.64 0.08 0.00 0.02 0.01 0.01 0.00 0.05 39 1 0.02 0.03 0.01 -0.31 -0.58 -0.08 0.08 0.05 -0.00 40 1 -0.01 -0.02 -0.01 0.33 0.64 0.08 -0.04 -0.09 -0.01 41 1 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.08 -0.09 0.08 42 1 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.04 -0.04 43 1 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.07 -0.01 0.11 44 1 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.13 -0.12 0.09 45 1 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.05 -0.17 -0.11 46 1 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.07 0.12 0.10 47 1 -0.00 0.01 -0.00 0.01 -0.03 -0.02 0.11 -0.42 -0.21 48 1 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.17 -0.25 -0.14 73 74 75 A A A Frequencies -- 1022.2060 1041.3827 1046.2118 Red. masses -- 2.4883 2.8608 2.1319 Frc consts -- 1.5319 1.8279 1.3748 IR Inten -- 8.3729 3.8970 16.8177 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 0.01 0.00 -0.01 2 9 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 3 9 0.03 -0.01 -0.03 0.00 -0.00 -0.00 -0.01 0.00 0.01 4 8 0.05 -0.04 0.00 0.02 -0.01 0.00 0.06 -0.05 0.01 5 7 0.00 -0.04 -0.01 0.00 -0.00 0.00 -0.02 -0.02 0.00 6 7 -0.06 0.05 -0.04 -0.01 0.01 -0.01 -0.03 0.04 -0.03 7 7 0.02 0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 8 7 0.00 -0.00 0.00 -0.02 -0.01 0.04 0.06 -0.02 -0.01 9 7 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 10 6 0.01 0.01 -0.01 0.00 0.00 -0.00 0.02 0.02 -0.01 11 6 0.02 -0.02 0.02 0.00 -0.00 0.00 0.02 -0.05 0.03 12 6 0.01 -0.02 0.07 0.01 0.00 0.01 -0.02 -0.02 -0.07 13 6 0.10 0.16 -0.10 -0.01 0.00 -0.02 -0.00 0.13 0.09 14 6 -0.07 -0.02 -0.04 -0.01 -0.01 -0.02 -0.11 0.08 0.03 15 6 0.00 -0.01 0.08 0.01 0.02 0.01 0.10 -0.02 -0.06 16 6 0.02 -0.01 -0.04 0.01 -0.00 0.01 -0.06 -0.00 0.08 17 6 -0.00 0.00 -0.00 0.03 -0.00 -0.02 -0.02 0.01 -0.01 18 6 0.00 -0.01 0.03 0.01 -0.00 0.00 0.01 0.00 -0.00 19 6 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 20 6 0.01 -0.01 0.02 -0.02 0.01 -0.02 0.00 0.00 0.00 21 6 -0.01 0.00 0.01 0.13 -0.05 -0.14 -0.00 -0.00 -0.00 22 6 0.01 -0.00 -0.03 -0.10 0.03 0.17 0.00 -0.00 -0.00 23 6 0.00 -0.00 0.00 -0.03 0.02 -0.03 -0.00 0.00 0.00 24 6 -0.02 0.01 0.02 0.13 -0.06 -0.14 -0.00 0.00 0.00 25 6 0.01 0.00 -0.01 -0.10 0.04 0.17 0.00 -0.00 -0.00 26 6 -0.05 -0.01 -0.03 -0.00 0.00 -0.01 -0.01 -0.03 0.01 27 6 0.03 -0.04 0.12 0.00 -0.01 0.01 0.00 0.02 -0.04 28 6 -0.02 -0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.01 29 6 -0.03 0.06 -0.13 -0.00 0.01 -0.01 0.00 -0.02 0.04 30 6 0.01 -0.02 0.04 0.00 -0.01 0.01 0.00 0.01 -0.01 31 6 0.00 -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 32 1 0.01 -0.08 0.05 0.00 -0.02 0.01 0.02 -0.04 0.03 33 1 0.02 -0.02 0.01 -0.00 -0.01 0.00 0.01 -0.06 0.05 34 1 -0.20 0.11 0.05 -0.00 -0.00 0.00 0.12 -0.07 -0.00 35 1 -0.25 -0.29 -0.15 -0.06 -0.07 -0.03 -0.31 -0.25 -0.14 36 1 -0.04 0.02 -0.02 0.08 -0.02 0.00 -0.06 0.03 -0.03 37 1 0.00 0.01 0.02 0.03 0.03 -0.46 0.00 0.01 -0.01 38 1 0.01 -0.01 -0.03 -0.36 0.19 0.13 0.00 -0.00 -0.00 39 1 -0.01 0.02 0.03 0.06 0.05 -0.43 -0.01 -0.00 0.00 40 1 0.01 -0.03 -0.01 -0.41 0.17 0.12 0.02 0.00 0.00 41 1 -0.18 -0.15 0.33 -0.02 -0.01 0.05 0.04 -0.02 -0.17 42 1 -0.05 0.13 -0.11 -0.02 0.02 -0.01 0.02 -0.02 0.05 43 1 -0.17 -0.06 0.33 -0.01 -0.01 0.04 0.05 -0.00 -0.12 44 1 0.03 0.00 -0.13 0.03 0.03 -0.02 -0.07 -0.09 0.05 45 1 -0.18 -0.05 0.08 -0.03 0.01 0.02 0.06 -0.14 -0.13 46 1 0.01 -0.09 -0.19 -0.02 -0.01 0.01 -0.15 -0.39 -0.16 47 1 -0.06 0.02 -0.16 -0.01 0.07 0.05 -0.12 0.39 0.28 48 1 -0.05 0.35 0.17 -0.02 -0.01 -0.01 -0.24 -0.23 -0.14 76 77 78 A A A Frequencies -- 1057.0281 1076.3812 1100.4810 Red. masses -- 3.9455 2.2518 2.2253 Frc consts -- 2.5974 1.5372 1.5879 IR Inten -- 43.7590 27.8318 38.3283 Atom AN X Y Z X Y Z X Y Z 1 16 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 2 9 -0.00 -0.00 0.00 -0.02 0.01 0.01 -0.01 0.00 0.00 3 9 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 4 8 -0.01 -0.00 -0.00 -0.05 0.02 -0.02 0.01 -0.01 -0.00 5 7 -0.02 0.05 -0.06 -0.02 -0.01 -0.00 -0.01 -0.00 -0.00 6 7 0.24 -0.19 0.18 -0.02 0.03 -0.02 0.00 0.00 -0.00 7 7 -0.05 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 -0.00 8 7 0.02 -0.01 0.00 0.00 0.01 -0.02 -0.13 0.00 0.11 9 7 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 10 6 -0.04 -0.05 0.02 0.01 0.02 -0.01 0.00 0.00 -0.00 11 6 -0.09 0.19 -0.13 0.03 -0.06 0.04 0.01 -0.01 0.01 12 6 -0.06 -0.09 0.02 -0.03 0.02 -0.06 -0.00 -0.01 -0.02 13 6 0.09 0.11 0.05 0.11 0.04 0.08 0.02 0.09 0.04 14 6 -0.05 0.03 -0.01 -0.01 0.02 -0.05 -0.02 -0.07 -0.02 15 6 0.01 -0.03 0.02 -0.05 -0.05 0.08 -0.01 0.04 0.01 16 6 -0.00 -0.00 -0.00 0.05 0.00 -0.09 0.11 0.00 -0.06 17 6 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.07 -0.00 -0.06 18 6 0.01 -0.01 0.02 0.01 -0.02 0.06 -0.05 0.03 -0.05 19 6 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 20 6 0.01 -0.01 0.01 0.04 -0.02 0.04 -0.08 0.05 -0.07 21 6 0.01 -0.01 -0.01 0.02 -0.01 -0.02 -0.02 0.01 0.02 22 6 -0.01 0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.01 0.04 23 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 24 6 -0.00 0.00 -0.01 -0.02 0.01 -0.01 0.05 -0.03 0.00 25 6 -0.01 0.00 0.01 -0.01 0.00 0.03 0.01 -0.00 -0.04 26 6 -0.02 -0.03 -0.01 0.01 -0.07 0.09 -0.01 -0.03 0.03 27 6 0.01 0.01 -0.00 -0.04 0.06 -0.04 -0.01 0.02 -0.01 28 6 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 29 6 -0.00 -0.01 0.00 0.02 -0.04 0.06 0.01 -0.01 0.02 30 6 -0.00 0.00 -0.00 -0.04 0.05 -0.05 -0.01 0.02 -0.02 31 6 0.01 0.00 0.00 0.03 -0.02 -0.00 0.01 -0.01 0.00 32 1 -0.05 0.38 -0.24 0.02 -0.03 0.03 0.00 -0.01 0.00 33 1 0.04 0.42 -0.23 -0.01 -0.12 0.07 0.00 -0.01 0.01 34 1 -0.04 0.02 0.00 0.05 -0.02 -0.03 0.03 -0.04 -0.01 35 1 -0.15 -0.13 -0.10 0.04 0.03 -0.17 -0.21 -0.21 0.21 36 1 -0.05 0.03 -0.03 -0.17 0.08 -0.07 0.65 -0.29 0.24 37 1 0.00 0.01 -0.05 -0.00 0.03 -0.12 0.03 -0.08 0.25 38 1 -0.03 0.02 -0.01 -0.06 0.03 -0.03 0.03 -0.01 0.04 39 1 -0.01 0.01 -0.03 -0.04 0.03 -0.06 0.09 -0.06 0.13 40 1 -0.04 0.02 0.01 -0.09 0.05 0.02 0.09 -0.05 -0.04 41 1 -0.03 -0.05 -0.04 0.08 0.03 -0.33 0.05 -0.00 -0.17 42 1 0.02 0.01 0.01 0.25 -0.18 0.03 0.11 -0.08 0.01 43 1 0.00 -0.00 -0.02 -0.00 0.05 -0.14 -0.01 0.02 -0.04 44 1 -0.19 -0.35 -0.12 -0.11 -0.13 0.07 -0.03 -0.08 -0.02 45 1 -0.12 -0.07 0.04 0.17 -0.06 -0.12 0.01 -0.05 -0.04 46 1 -0.01 -0.11 -0.13 0.09 0.04 -0.18 -0.01 0.08 0.10 47 1 -0.04 0.02 -0.07 -0.00 -0.21 -0.34 0.01 0.01 0.05 48 1 -0.05 0.12 0.05 0.05 0.43 0.22 0.03 -0.03 -0.00 79 80 81 A A A Frequencies -- 1123.6018 1132.5293 1147.5418 Red. masses -- 1.5963 2.3073 1.6809 Frc consts -- 1.1874 1.7437 1.3042 IR Inten -- 21.9832 12.0525 13.7294 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 0.01 -0.00 -0.00 2 9 -0.02 0.01 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 3 9 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 4 8 -0.01 0.01 -0.01 0.03 -0.00 0.01 -0.04 0.03 -0.01 5 7 0.01 -0.01 -0.01 0.02 -0.01 0.01 -0.02 0.01 -0.01 6 7 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 7 7 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 8 7 0.03 -0.01 -0.00 -0.01 -0.02 0.06 0.06 -0.02 0.02 9 7 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 10 6 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 11 6 -0.01 0.01 -0.01 -0.01 0.03 -0.02 0.01 -0.03 0.02 12 6 -0.00 0.01 0.05 0.01 -0.00 0.03 -0.01 0.02 -0.00 13 6 0.05 -0.01 -0.08 -0.10 -0.09 -0.05 0.09 -0.03 0.01 14 6 -0.01 -0.05 -0.01 -0.01 0.23 0.02 -0.02 -0.03 -0.06 15 6 0.01 0.05 -0.02 0.05 -0.14 0.02 -0.01 0.03 0.01 16 6 -0.06 0.00 0.07 0.00 -0.05 -0.00 -0.07 -0.00 0.08 17 6 -0.01 0.00 -0.00 0.02 0.01 -0.04 -0.01 0.01 -0.03 18 6 0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.01 -0.00 0.00 19 6 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 20 6 -0.01 0.01 -0.01 -0.04 0.02 -0.01 -0.04 0.02 0.03 21 6 -0.00 0.00 0.00 0.01 -0.01 0.00 0.05 -0.03 0.01 22 6 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.02 0.02 -0.05 23 6 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.02 0.01 0.03 24 6 0.00 -0.00 -0.00 0.03 -0.02 0.00 0.06 -0.03 0.01 25 6 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.02 0.02 -0.06 26 6 0.03 -0.03 0.02 0.02 0.01 0.00 -0.00 -0.00 -0.01 27 6 -0.06 0.05 -0.03 -0.02 0.01 -0.02 0.00 -0.01 0.02 28 6 -0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 29 6 0.05 -0.03 -0.00 0.02 -0.01 0.00 -0.01 0.01 -0.00 30 6 -0.06 0.04 0.01 -0.02 0.01 0.01 0.01 -0.00 -0.01 31 6 0.04 -0.04 0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.00 32 1 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.00 0.03 -0.01 33 1 -0.00 0.02 -0.01 0.02 0.08 -0.05 -0.02 -0.09 0.04 34 1 -0.16 0.10 0.02 0.05 -0.01 0.01 -0.03 0.03 -0.01 35 1 0.01 -0.04 -0.05 0.06 0.24 -0.16 0.12 0.05 -0.30 36 1 -0.03 0.01 -0.01 0.29 -0.10 0.10 0.14 -0.07 0.04 37 1 -0.00 0.00 0.01 0.06 -0.05 0.17 0.17 -0.12 0.36 38 1 0.02 -0.01 0.01 -0.09 0.05 -0.02 -0.34 0.20 -0.11 39 1 0.00 0.00 -0.00 0.07 -0.06 0.13 0.17 -0.14 0.37 40 1 0.03 -0.02 0.00 -0.05 0.03 -0.04 -0.32 0.19 -0.12 41 1 -0.03 0.06 -0.09 -0.01 0.05 0.01 -0.05 -0.02 0.10 42 1 0.62 -0.42 -0.08 0.18 -0.13 -0.02 -0.15 0.10 0.02 43 1 -0.28 0.04 0.42 -0.10 0.01 0.17 0.06 -0.00 -0.11 44 1 0.01 0.04 -0.01 0.11 0.19 0.02 -0.09 -0.12 0.00 45 1 -0.05 -0.01 0.05 -0.12 -0.05 0.03 0.12 0.11 0.02 46 1 -0.04 0.02 0.10 0.04 -0.30 -0.41 -0.00 0.04 0.03 47 1 0.01 0.08 0.13 -0.09 0.00 -0.25 0.01 0.00 0.01 48 1 -0.02 -0.15 -0.08 -0.10 0.30 0.13 -0.00 -0.00 0.00 82 83 84 A A A Frequencies -- 1154.5714 1173.9465 1192.7142 Red. masses -- 1.7812 1.7748 1.8799 Frc consts -- 1.3990 1.4411 1.5757 IR Inten -- 1.9185 48.5638 21.0076 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 -0.00 0.01 -0.00 -0.01 3 9 -0.00 0.00 0.00 -0.04 0.01 0.03 0.01 -0.00 -0.01 4 8 -0.04 0.03 -0.01 -0.03 0.02 0.01 -0.01 0.01 -0.00 5 7 -0.02 0.02 -0.01 -0.05 0.03 -0.02 -0.04 -0.03 0.01 6 7 0.01 -0.01 0.00 0.02 -0.01 0.01 -0.03 -0.01 0.00 7 7 0.01 -0.00 0.00 0.01 -0.00 0.00 0.05 -0.08 0.06 8 7 0.04 -0.04 0.08 -0.03 0.01 -0.00 -0.01 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 6 0.00 0.01 -0.00 0.00 0.02 -0.01 -0.15 0.08 -0.08 11 6 0.01 -0.03 0.02 0.02 -0.05 0.04 0.11 -0.04 0.05 12 6 -0.01 0.02 0.00 -0.00 0.00 -0.04 0.03 0.03 0.00 13 6 0.08 -0.05 -0.00 0.01 -0.04 0.11 0.02 -0.03 -0.03 14 6 -0.03 0.02 -0.07 -0.03 0.01 0.02 -0.02 0.00 0.02 15 6 0.00 0.00 0.03 0.02 -0.01 -0.00 0.02 -0.00 -0.01 16 6 -0.06 -0.02 0.09 0.05 0.01 -0.05 0.01 -0.00 -0.01 17 6 0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 18 6 -0.01 0.01 -0.02 -0.00 -0.00 0.01 -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 -0.03 0.03 -0.06 0.01 -0.01 0.01 0.00 -0.00 0.00 21 6 -0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 22 6 0.01 -0.02 0.07 0.00 0.00 -0.01 -0.00 0.00 -0.00 23 6 0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 24 6 -0.02 0.01 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 25 6 0.03 -0.02 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 26 6 0.00 -0.01 -0.00 0.01 0.04 -0.13 -0.00 -0.00 0.02 27 6 -0.00 -0.00 0.02 0.02 0.00 -0.04 -0.00 -0.00 0.01 28 6 0.00 -0.00 -0.00 0.04 -0.02 -0.04 -0.01 0.00 0.01 29 6 -0.01 0.01 -0.00 0.03 -0.01 -0.03 -0.00 0.00 -0.00 30 6 0.01 -0.00 -0.01 -0.01 -0.01 0.05 -0.00 0.00 -0.00 31 6 0.00 0.00 -0.01 -0.02 0.02 -0.01 -0.01 0.00 0.01 32 1 0.00 0.04 -0.02 0.00 0.10 -0.05 -0.18 0.56 -0.38 33 1 -0.03 -0.09 0.04 -0.03 -0.15 0.08 0.41 0.43 -0.13 34 1 -0.00 0.02 -0.01 0.26 -0.16 -0.05 -0.06 0.04 0.00 35 1 0.13 0.09 -0.38 -0.05 0.00 0.08 -0.04 -0.00 0.07 36 1 0.23 -0.08 0.07 0.01 -0.01 0.01 -0.00 0.00 0.00 37 1 -0.12 0.07 -0.20 -0.01 0.01 -0.03 -0.00 0.00 -0.01 38 1 0.31 -0.18 0.13 0.01 -0.00 -0.01 -0.00 0.00 -0.00 39 1 -0.10 0.09 -0.29 -0.01 0.00 0.00 -0.00 0.00 -0.00 40 1 0.43 -0.24 0.10 -0.02 0.02 0.00 -0.01 0.00 -0.00 41 1 -0.06 -0.01 0.11 -0.25 -0.01 0.45 0.05 0.00 -0.08 42 1 -0.15 0.10 0.02 0.17 -0.11 -0.05 0.00 0.00 -0.01 43 1 0.06 -0.00 -0.11 -0.22 -0.02 0.45 0.04 0.00 -0.08 44 1 -0.08 -0.11 0.00 -0.14 -0.25 -0.04 0.05 0.05 -0.01 45 1 0.11 0.12 0.03 0.22 0.28 0.05 0.07 0.11 0.03 46 1 0.01 -0.03 -0.07 -0.02 -0.07 -0.03 -0.02 -0.05 -0.02 47 1 -0.01 0.01 -0.06 -0.01 0.04 0.02 -0.01 0.05 0.03 48 1 -0.03 0.08 0.05 -0.03 0.01 0.00 -0.03 -0.02 -0.01 85 86 87 A A A Frequencies -- 1198.6470 1212.8490 1227.1851 Red. masses -- 2.2562 1.1908 1.8352 Frc consts -- 1.9099 1.0320 1.6284 IR Inten -- 14.8280 0.9799 44.8367 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 -0.05 0.03 0.03 3 9 -0.02 0.01 0.02 -0.00 0.00 0.00 -0.03 0.01 0.03 4 8 0.02 -0.04 0.01 -0.00 0.00 0.00 -0.02 0.01 -0.01 5 7 0.03 -0.04 0.04 0.00 -0.00 0.00 0.04 -0.03 0.02 6 7 -0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.01 7 7 -0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 8 7 0.05 -0.02 0.02 0.00 -0.00 0.01 -0.01 0.01 -0.01 9 7 -0.00 0.00 -0.00 0.02 -0.01 0.02 -0.00 0.00 -0.00 10 6 -0.05 0.01 -0.02 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 11 6 0.02 0.03 -0.01 -0.00 0.00 -0.00 -0.00 0.03 -0.02 12 6 0.02 -0.03 -0.06 -0.00 0.00 0.00 -0.01 0.02 0.01 13 6 -0.11 0.13 0.13 0.00 0.00 -0.00 0.05 -0.01 -0.01 14 6 0.08 -0.04 -0.09 0.00 -0.00 -0.00 -0.03 -0.02 0.02 15 6 -0.08 0.02 0.03 -0.00 0.00 0.00 0.02 0.01 -0.01 16 6 -0.06 -0.00 0.07 -0.00 -0.00 0.01 0.02 0.01 -0.02 17 6 -0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 18 6 0.00 0.00 -0.01 -0.01 0.01 -0.02 -0.00 -0.00 0.00 19 6 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 20 6 -0.02 0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 21 6 -0.00 0.00 -0.00 0.01 0.00 -0.05 0.00 -0.00 0.00 22 6 -0.00 -0.00 0.01 0.04 -0.02 -0.01 -0.00 0.00 -0.00 23 6 -0.00 -0.00 0.00 -0.05 0.04 -0.05 0.00 -0.00 0.00 24 6 0.01 -0.00 -0.00 -0.00 -0.00 0.04 -0.00 0.00 -0.00 25 6 0.00 -0.00 -0.01 -0.03 0.02 0.02 0.00 -0.00 0.00 26 6 -0.01 0.02 -0.05 0.00 -0.00 0.00 0.09 -0.07 0.02 27 6 0.02 -0.00 -0.03 -0.00 0.00 0.00 -0.05 0.05 -0.02 28 6 0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.05 -0.01 -0.06 29 6 0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.03 30 6 0.00 -0.01 0.03 -0.00 0.00 -0.00 -0.02 0.04 -0.05 31 6 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.12 -0.08 -0.04 32 1 -0.06 0.03 -0.04 -0.00 -0.00 0.00 -0.02 -0.06 0.03 33 1 0.18 0.30 -0.11 0.01 0.01 -0.01 0.07 0.17 -0.07 34 1 0.27 -0.16 -0.02 0.01 -0.01 -0.00 0.09 -0.04 -0.02 35 1 0.20 -0.00 -0.38 0.01 0.00 -0.02 -0.01 0.02 0.09 36 1 0.02 -0.01 -0.00 0.09 -0.03 0.04 -0.01 -0.00 0.00 37 1 0.01 -0.01 0.04 -0.10 0.09 -0.39 0.00 -0.00 0.01 38 1 -0.01 0.00 0.01 0.51 -0.29 0.07 -0.02 0.01 -0.01 39 1 0.01 -0.00 -0.01 0.13 -0.14 0.51 -0.01 0.01 -0.02 40 1 0.06 -0.02 0.00 -0.34 0.19 -0.03 -0.00 0.00 0.00 41 1 -0.05 -0.02 0.07 -0.01 0.00 0.01 -0.42 0.03 0.66 42 1 0.10 -0.06 -0.01 -0.00 0.00 0.00 -0.18 0.11 0.06 43 1 -0.11 -0.02 0.25 0.00 0.00 -0.01 0.06 0.04 -0.21 44 1 0.14 0.19 0.06 0.01 0.01 0.00 0.08 0.18 0.07 45 1 -0.13 -0.29 -0.14 -0.01 -0.02 -0.01 -0.11 -0.28 -0.09 46 1 0.08 0.27 0.09 0.00 0.00 0.00 -0.03 -0.05 0.01 47 1 0.04 -0.20 -0.13 0.00 -0.00 -0.00 0.00 0.04 0.04 48 1 0.14 0.09 0.06 0.00 0.00 0.00 -0.04 -0.03 -0.02 88 89 90 A A A Frequencies -- 1245.9858 1248.5675 1252.0058 Red. masses -- 3.3730 1.9468 1.8819 Frc consts -- 3.0853 1.7881 1.7381 IR Inten -- 13.2016 10.3243 10.0441 Atom AN X Y Z X Y Z X Y Z 1 16 -0.01 0.01 -0.01 0.01 -0.00 0.00 0.01 -0.01 0.00 2 9 -0.02 0.01 0.01 0.03 -0.02 -0.02 -0.03 0.01 0.03 3 9 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 4 8 0.02 -0.01 0.00 -0.04 0.02 -0.00 0.04 -0.02 0.00 5 7 -0.01 0.02 -0.01 0.01 -0.04 0.02 0.01 0.04 -0.02 6 7 -0.01 -0.01 0.00 0.03 0.03 -0.01 -0.03 -0.03 0.01 7 7 0.02 -0.00 0.01 -0.05 0.01 -0.02 0.05 -0.01 0.02 8 7 -0.01 -0.01 0.04 0.01 0.01 -0.02 0.02 0.01 -0.04 9 7 -0.07 0.05 -0.07 -0.03 0.02 -0.03 -0.01 0.01 -0.01 10 6 0.00 0.01 -0.00 -0.01 -0.02 0.01 0.01 0.02 -0.01 11 6 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 12 6 0.01 -0.01 0.01 -0.01 0.03 -0.02 0.00 -0.03 0.01 13 6 -0.04 0.02 -0.01 0.08 -0.04 0.02 -0.08 0.05 -0.02 14 6 0.02 0.02 -0.03 -0.04 -0.02 0.02 0.03 -0.01 0.01 15 6 -0.01 -0.01 0.01 0.02 0.01 -0.01 -0.02 -0.00 -0.00 16 6 0.01 -0.01 0.02 0.00 0.01 -0.02 -0.02 0.00 0.01 17 6 0.07 -0.04 0.05 -0.06 0.03 -0.04 -0.08 0.04 -0.05 18 6 0.05 -0.00 -0.03 -0.05 0.01 0.01 -0.05 0.01 0.01 19 6 -0.03 0.02 -0.03 -0.01 0.01 -0.01 -0.00 0.00 -0.00 20 6 -0.07 0.05 -0.09 0.06 -0.04 0.07 0.08 -0.05 0.09 21 6 -0.11 0.06 -0.01 -0.03 0.02 -0.00 -0.00 0.00 0.00 22 6 0.05 -0.04 0.08 0.02 -0.01 -0.01 0.00 0.00 -0.03 23 6 0.21 -0.14 0.19 0.09 -0.06 0.09 0.02 -0.02 0.03 24 6 0.07 -0.05 0.06 -0.01 0.01 0.02 -0.03 0.02 0.00 25 6 -0.05 0.04 -0.11 0.01 -0.00 -0.03 0.02 -0.01 0.00 26 6 0.00 -0.01 0.01 -0.00 0.01 -0.02 -0.00 -0.00 0.02 27 6 -0.01 0.01 -0.00 0.02 -0.02 0.01 -0.02 0.02 -0.01 28 6 0.01 -0.01 -0.00 -0.02 0.01 0.00 0.02 -0.02 0.00 29 6 -0.00 -0.00 0.01 0.01 0.01 -0.03 -0.00 -0.01 0.03 30 6 0.00 0.00 -0.02 -0.01 -0.01 0.03 0.01 0.00 -0.03 31 6 0.04 -0.02 -0.02 -0.08 0.04 0.05 0.08 -0.03 -0.06 32 1 -0.00 0.14 -0.08 0.00 -0.32 0.19 -0.01 0.34 -0.21 33 1 -0.08 -0.14 0.06 0.19 0.32 -0.14 -0.21 -0.33 0.14 34 1 -0.04 0.01 0.00 0.10 -0.05 -0.02 -0.15 0.08 0.03 35 1 -0.03 -0.04 -0.01 0.04 0.07 -0.01 0.05 -0.01 -0.04 36 1 -0.39 0.20 -0.20 0.40 -0.18 0.20 0.47 -0.22 0.25 37 1 -0.22 0.15 -0.32 -0.14 0.10 -0.33 -0.07 0.05 -0.23 38 1 0.01 -0.01 0.09 -0.10 0.06 -0.03 -0.09 0.06 -0.05 39 1 0.08 -0.05 0.02 -0.07 0.07 -0.19 -0.09 0.07 -0.18 40 1 -0.41 0.25 -0.19 -0.22 0.13 -0.07 -0.12 0.06 -0.02 41 1 -0.03 0.01 0.02 0.03 -0.02 -0.01 0.00 0.02 -0.05 42 1 -0.06 0.03 0.02 0.12 -0.07 -0.05 -0.15 0.09 0.05 43 1 -0.01 0.00 0.02 0.04 -0.00 -0.07 -0.07 -0.00 0.14 44 1 -0.03 -0.08 -0.07 0.05 0.14 0.12 -0.03 -0.10 -0.10 45 1 0.02 0.08 0.04 -0.02 -0.12 -0.07 -0.01 0.05 0.04 46 1 0.02 0.03 -0.01 -0.03 -0.06 -0.00 0.02 0.06 0.03 47 1 -0.00 -0.03 -0.04 0.00 0.05 0.05 0.01 -0.04 -0.01 48 1 0.02 0.03 0.02 -0.04 -0.03 -0.02 0.04 -0.01 -0.00 91 92 93 A A A Frequencies -- 1265.6735 1276.7424 1329.2641 Red. masses -- 1.8337 1.6644 1.4849 Frc consts -- 1.7307 1.5985 1.5459 IR Inten -- 22.6027 26.6621 5.0615 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 0.04 -0.02 -0.03 -0.02 0.00 0.02 -0.00 -0.00 0.00 3 9 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 4 8 -0.03 0.01 0.00 -0.03 0.02 -0.00 0.03 -0.02 -0.01 5 7 0.11 0.02 0.01 0.06 -0.01 0.02 -0.02 -0.00 0.00 6 7 -0.09 -0.03 -0.00 -0.03 0.00 -0.01 -0.01 -0.01 0.00 7 7 0.07 -0.02 0.03 0.01 -0.01 0.01 -0.01 0.01 -0.01 8 7 -0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 -0.02 9 7 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 10 6 0.01 0.02 -0.01 -0.01 0.00 -0.00 0.03 -0.00 0.01 11 6 -0.04 0.06 -0.05 -0.02 0.03 -0.03 0.01 -0.01 0.01 12 6 -0.05 -0.03 0.01 -0.03 0.01 -0.00 0.01 -0.03 -0.02 13 6 0.06 -0.02 0.02 0.09 -0.04 0.03 -0.03 0.07 0.03 14 6 -0.02 -0.00 0.00 -0.06 -0.03 0.01 -0.07 -0.09 -0.04 15 6 0.01 0.00 -0.00 0.03 0.01 0.00 0.06 -0.01 0.02 16 6 0.01 0.00 -0.01 0.02 0.01 -0.02 0.01 0.01 -0.01 17 6 0.01 -0.00 0.00 0.02 -0.01 0.01 0.02 -0.01 -0.01 18 6 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.05 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 -0.01 0.01 -0.01 -0.05 0.02 0.02 21 6 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 22 6 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 23 6 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 24 6 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 25 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 26 6 0.01 -0.00 -0.02 -0.05 0.04 -0.01 -0.01 0.01 -0.01 27 6 0.02 -0.02 0.01 -0.01 0.00 0.02 0.02 -0.00 -0.02 28 6 -0.03 0.03 -0.01 0.04 -0.04 0.03 -0.02 0.01 -0.00 29 6 -0.00 0.01 -0.03 0.03 -0.03 0.02 -0.02 0.02 0.01 30 6 -0.02 -0.00 0.04 0.03 -0.01 -0.02 0.01 -0.01 0.01 31 6 -0.08 0.03 0.08 0.02 0.03 -0.11 0.01 -0.02 0.01 32 1 -0.01 0.42 -0.26 -0.02 0.03 -0.02 0.03 0.07 -0.04 33 1 -0.31 -0.38 0.13 -0.03 0.01 -0.01 0.01 0.00 0.00 34 1 0.21 -0.11 -0.03 0.07 -0.03 -0.01 -0.24 0.13 0.03 35 1 -0.00 0.02 0.01 0.11 0.20 0.05 0.41 0.65 0.24 36 1 -0.02 0.01 -0.01 -0.06 0.02 -0.03 0.01 -0.01 -0.01 37 1 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.04 0.04 -0.14 38 1 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.08 0.04 -0.01 39 1 0.00 -0.00 0.01 0.01 -0.01 0.02 0.05 -0.05 0.14 40 1 0.00 0.01 -0.00 0.02 -0.01 0.00 0.16 -0.09 0.02 41 1 -0.04 -0.02 0.11 0.20 0.01 -0.38 -0.04 -0.01 0.08 42 1 0.23 -0.14 -0.07 -0.37 0.24 0.07 0.12 -0.09 -0.01 43 1 0.12 0.01 -0.24 -0.25 -0.03 0.54 0.06 -0.01 -0.09 44 1 0.06 0.17 0.11 0.04 0.15 0.11 0.05 0.07 0.03 45 1 -0.18 -0.34 -0.10 -0.07 -0.23 -0.10 0.01 0.10 0.03 46 1 -0.01 -0.03 -0.01 -0.04 -0.10 -0.02 -0.01 -0.12 -0.04 47 1 0.00 0.02 0.01 -0.01 0.08 0.04 -0.06 0.17 0.03 48 1 -0.02 -0.00 -0.00 -0.08 -0.01 -0.01 -0.14 0.09 0.04 94 95 96 A A A Frequencies -- 1332.3674 1336.9555 1338.9380 Red. masses -- 1.5644 4.5057 3.3468 Frc consts -- 1.6362 4.7451 3.5350 IR Inten -- 9.8446 20.6069 25.3536 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 -0.00 -0.01 0.05 -0.02 -0.04 -0.03 0.01 0.02 3 9 -0.01 0.01 0.01 -0.11 0.05 0.07 0.05 -0.02 -0.04 4 8 -0.00 0.00 -0.00 0.02 -0.00 -0.02 -0.03 0.01 0.02 5 7 0.01 0.00 0.00 -0.07 -0.04 0.01 -0.10 -0.06 0.01 6 7 0.00 0.00 -0.00 -0.09 -0.06 0.02 -0.12 -0.09 0.02 7 7 0.00 -0.00 0.00 -0.08 0.08 -0.07 -0.11 0.10 -0.09 8 7 0.01 0.01 -0.05 0.01 -0.01 0.01 -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 6 -0.01 0.00 -0.00 0.18 -0.02 0.06 0.24 -0.02 0.07 11 6 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.03 -0.02 0.02 12 6 -0.00 0.01 0.01 0.03 0.00 -0.02 0.05 0.03 -0.00 13 6 0.01 -0.02 -0.01 0.00 0.01 -0.02 0.03 -0.02 0.00 14 6 0.03 0.03 0.03 0.00 0.00 -0.01 0.01 0.01 0.02 15 6 -0.02 0.00 -0.02 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 16 6 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 17 6 0.04 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 18 6 -0.03 -0.02 0.09 0.00 0.00 -0.00 -0.00 0.00 -0.01 19 6 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 20 6 -0.10 0.05 0.08 0.01 -0.00 -0.02 -0.00 0.00 0.01 21 6 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 22 6 0.04 -0.02 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 23 6 0.03 -0.01 -0.03 -0.02 0.01 0.02 0.01 -0.00 -0.01 24 6 0.01 0.00 -0.04 0.00 -0.00 0.01 -0.00 0.00 -0.00 25 6 -0.02 0.01 -0.02 0.01 -0.00 0.00 -0.01 0.00 -0.00 26 6 -0.00 -0.00 0.02 -0.04 -0.03 0.16 0.04 0.01 -0.08 27 6 0.00 -0.00 -0.00 0.05 -0.02 -0.03 -0.04 0.02 0.03 28 6 0.03 -0.02 -0.02 0.24 -0.12 -0.13 -0.12 0.06 0.07 29 6 0.02 -0.01 -0.01 0.10 -0.04 -0.09 -0.04 0.01 0.05 30 6 -0.02 0.01 -0.00 -0.12 0.10 -0.02 0.06 -0.05 0.01 31 6 -0.02 0.01 0.01 -0.11 0.03 0.13 0.05 -0.01 -0.08 32 1 -0.01 -0.02 0.01 0.18 0.42 -0.22 0.25 0.53 -0.27 33 1 -0.01 -0.00 0.00 0.09 0.10 -0.03 0.17 0.20 -0.07 34 1 0.00 0.01 0.00 -0.32 0.18 0.03 0.31 -0.17 -0.03 35 1 -0.14 -0.25 -0.10 -0.01 -0.00 -0.01 -0.11 -0.19 -0.08 36 1 0.06 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 37 1 -0.12 0.12 -0.45 0.04 -0.04 0.13 -0.02 0.02 -0.08 38 1 -0.31 0.18 -0.05 0.12 -0.07 0.02 -0.08 0.04 -0.01 39 1 0.14 -0.13 0.41 -0.03 0.04 -0.13 0.02 -0.02 0.07 40 1 0.45 -0.24 0.05 -0.12 0.06 -0.02 0.07 -0.03 0.01 41 1 0.01 0.00 -0.01 0.05 -0.03 -0.01 -0.01 0.02 -0.03 42 1 -0.06 0.04 -0.01 -0.22 0.19 -0.07 0.04 -0.05 0.05 43 1 -0.04 0.02 0.03 -0.17 0.11 0.04 0.06 -0.06 0.03 44 1 -0.02 -0.02 -0.01 0.14 0.21 0.08 0.16 0.24 0.02 45 1 -0.01 -0.03 -0.01 -0.02 0.05 0.01 0.02 -0.03 -0.02 46 1 -0.00 0.05 0.04 0.01 0.02 0.01 -0.01 0.02 0.01 47 1 0.02 -0.06 0.01 -0.01 0.01 0.02 0.03 -0.06 -0.02 48 1 0.05 -0.03 -0.02 0.01 0.03 0.01 0.03 -0.05 -0.02 97 98 99 A A A Frequencies -- 1353.8077 1377.0224 1383.0461 Red. masses -- 4.2043 2.8266 7.1453 Frc consts -- 4.5400 3.1579 8.0528 IR Inten -- 7.6042 1.5651 1.5575 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 3 9 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 4 8 0.00 -0.00 -0.00 -0.02 0.00 0.02 -0.03 0.01 0.03 5 7 0.01 -0.00 0.00 -0.07 0.01 -0.03 0.03 -0.00 0.01 6 7 -0.01 -0.00 -0.00 0.04 0.01 0.01 -0.02 -0.00 -0.00 7 7 -0.00 0.00 -0.00 0.02 0.01 0.00 -0.02 -0.00 -0.00 8 7 0.02 0.03 -0.09 0.00 -0.01 0.05 -0.01 -0.02 0.08 9 7 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 10 6 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 11 6 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.01 0.01 -0.00 12 6 -0.00 0.00 -0.00 0.04 0.02 0.02 -0.01 0.02 0.01 13 6 0.00 -0.01 0.01 -0.01 0.01 -0.03 0.04 -0.03 -0.01 14 6 0.01 0.00 0.05 0.03 -0.00 -0.14 0.02 0.02 -0.08 15 6 -0.01 0.00 -0.02 0.02 -0.02 0.05 0.01 -0.00 0.03 16 6 -0.01 0.01 -0.03 -0.06 -0.00 0.07 -0.02 -0.00 0.03 17 6 0.08 -0.02 -0.02 -0.03 0.00 0.03 -0.03 -0.00 0.04 18 6 -0.05 -0.05 0.18 0.04 0.03 -0.14 0.05 0.04 -0.18 19 6 0.02 -0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 20 6 -0.16 0.08 0.09 -0.04 -0.00 0.12 -0.03 -0.01 0.12 21 6 -0.01 0.03 -0.19 -0.00 0.01 -0.04 -0.01 0.01 -0.03 22 6 0.09 -0.05 -0.02 0.08 -0.04 -0.01 0.08 -0.04 -0.01 23 6 -0.18 0.06 0.26 -0.06 0.02 0.06 -0.06 0.02 0.06 24 6 0.05 -0.01 -0.11 -0.03 0.03 -0.08 -0.04 0.03 -0.08 25 6 0.12 -0.06 -0.04 0.07 -0.04 0.01 0.07 -0.04 0.01 26 6 0.00 0.01 -0.02 0.07 -0.07 0.02 -0.21 0.16 -0.03 27 6 -0.00 0.00 -0.00 -0.05 0.00 0.08 0.09 0.03 -0.23 28 6 -0.02 0.01 0.01 -0.01 0.03 -0.06 0.11 -0.18 0.25 29 6 -0.01 0.00 0.01 0.08 -0.05 -0.01 -0.19 0.15 -0.02 30 6 0.01 -0.01 0.00 -0.04 0.01 0.06 0.08 0.03 -0.22 31 6 0.01 -0.00 -0.01 -0.04 0.06 -0.06 0.10 -0.17 0.24 32 1 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 33 1 0.00 0.01 -0.01 -0.03 -0.07 0.03 0.03 0.04 -0.02 34 1 -0.05 0.03 0.01 0.30 -0.17 -0.04 0.33 -0.19 -0.03 35 1 -0.01 -0.11 -0.13 -0.17 0.10 0.70 -0.17 -0.04 0.34 36 1 0.04 0.00 -0.05 -0.09 0.03 -0.00 -0.13 0.05 -0.01 37 1 0.12 -0.10 0.25 -0.03 0.03 -0.13 -0.03 0.03 -0.13 38 1 0.52 -0.29 0.05 -0.15 0.09 -0.06 -0.19 0.12 -0.06 39 1 -0.03 0.08 -0.43 0.01 -0.01 0.05 0.01 -0.01 0.07 40 1 -0.11 0.07 -0.09 0.02 -0.01 -0.00 0.00 -0.00 0.00 41 1 -0.01 0.00 0.02 0.04 0.00 -0.08 -0.05 0.03 0.01 42 1 0.03 -0.02 0.01 -0.11 0.08 0.01 0.07 -0.03 -0.06 43 1 0.02 -0.01 0.00 -0.02 0.01 0.00 -0.05 0.03 0.05 44 1 -0.00 0.00 0.01 0.04 0.01 -0.09 -0.06 -0.07 -0.04 45 1 0.01 -0.01 -0.01 -0.08 -0.14 -0.03 0.05 -0.06 -0.03 46 1 -0.02 0.02 0.06 0.07 -0.01 -0.13 0.02 -0.03 -0.09 47 1 0.02 -0.03 0.03 -0.07 0.09 -0.10 -0.01 0.00 -0.08 48 1 0.02 -0.03 -0.02 -0.03 0.07 0.07 -0.01 -0.00 0.02 100 101 102 A A A Frequencies -- 1387.5757 1396.9390 1398.3401 Red. masses -- 2.2411 1.6423 2.4318 Frc consts -- 2.5423 1.8883 2.8016 IR Inten -- 8.7511 4.1827 28.8047 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 0.01 -0.00 -0.00 2 9 -0.01 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 0.01 0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.01 5 7 0.18 0.00 0.07 -0.12 -0.01 -0.00 -0.01 0.00 0.00 6 7 -0.08 -0.01 -0.02 0.06 0.00 0.02 0.00 -0.00 0.00 7 7 -0.07 -0.02 -0.01 0.10 0.01 0.02 0.01 0.00 0.00 8 7 -0.00 -0.01 0.02 -0.01 -0.00 0.01 0.03 0.03 -0.11 9 7 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 10 6 0.01 0.00 0.00 -0.02 0.02 -0.02 -0.00 0.00 -0.00 11 6 0.02 0.05 -0.02 -0.07 -0.02 -0.01 -0.01 -0.00 -0.00 12 6 -0.11 -0.11 -0.06 0.00 -0.09 -0.05 -0.01 -0.02 -0.01 13 6 0.02 0.00 0.03 0.04 0.02 0.01 0.02 -0.01 0.01 14 6 0.02 0.03 -0.04 -0.01 0.00 0.02 0.06 0.02 -0.14 15 6 -0.01 -0.00 0.02 -0.01 0.02 0.00 0.01 -0.01 0.05 16 6 -0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.08 0.00 0.09 17 6 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.02 0.01 -0.05 18 6 0.02 0.01 -0.06 0.00 0.00 -0.02 -0.05 -0.04 0.18 19 6 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 20 6 -0.01 -0.00 0.03 -0.00 -0.00 0.01 0.01 0.01 -0.08 21 6 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.02 22 6 0.02 -0.01 -0.00 0.01 -0.00 -0.00 -0.07 0.04 0.00 23 6 -0.01 0.01 0.01 -0.00 0.00 0.00 0.04 -0.02 -0.03 24 6 -0.01 0.01 -0.02 -0.00 0.00 -0.01 0.04 -0.03 0.07 25 6 0.02 -0.01 0.00 0.01 -0.00 0.00 -0.06 0.03 -0.02 26 6 0.02 -0.02 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 27 6 -0.01 -0.00 0.02 -0.01 0.01 -0.00 -0.00 0.01 -0.02 28 6 -0.02 0.02 -0.02 0.00 -0.01 0.02 0.01 -0.02 0.04 29 6 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 30 6 -0.00 -0.01 0.02 0.00 0.00 -0.01 0.01 0.01 -0.03 31 6 0.01 0.01 -0.03 0.01 -0.01 0.01 0.01 -0.01 0.03 32 1 0.01 -0.02 0.02 -0.02 -0.06 0.02 -0.00 -0.01 0.01 33 1 0.09 0.17 -0.07 -0.14 -0.10 0.03 -0.01 0.00 -0.00 34 1 -0.26 0.14 0.02 0.02 -0.01 -0.00 0.20 -0.09 -0.01 35 1 -0.17 -0.13 0.18 -0.02 -0.08 -0.12 -0.32 -0.09 0.72 36 1 -0.03 0.01 0.00 -0.02 0.01 -0.00 0.16 -0.06 0.02 37 1 -0.01 0.01 -0.04 -0.00 0.00 -0.01 0.03 -0.03 0.08 38 1 -0.06 0.04 -0.02 -0.02 0.01 -0.01 0.20 -0.12 0.05 39 1 0.00 -0.00 0.02 0.00 -0.00 0.01 -0.01 0.02 -0.10 40 1 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.00 -0.01 41 1 -0.02 -0.01 0.03 -0.01 0.00 -0.01 -0.00 0.01 -0.03 42 1 0.00 -0.01 0.01 -0.02 0.02 0.00 -0.04 0.03 -0.00 43 1 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.02 0.01 0.02 44 1 -0.04 0.05 0.22 0.39 0.66 0.35 0.06 0.12 0.03 45 1 0.35 0.67 0.20 -0.03 0.35 0.14 0.05 0.08 0.02 46 1 0.02 -0.00 -0.07 -0.05 -0.05 -0.04 0.05 -0.01 -0.15 47 1 0.00 -0.03 -0.06 0.06 -0.09 -0.04 -0.04 0.03 -0.14 48 1 0.03 -0.03 0.01 0.01 -0.10 -0.03 -0.01 -0.00 0.04 103 104 105 A A A Frequencies -- 1417.7826 1433.8656 1447.0374 Red. masses -- 1.2468 4.2995 1.8975 Frc consts -- 1.4766 5.2082 2.3409 IR Inten -- 7.1160 10.9274 22.4931 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 -0.01 3 9 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 4 8 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.02 -0.01 0.05 5 7 -0.01 -0.01 0.01 -0.03 0.10 -0.07 0.05 0.03 0.00 6 7 -0.00 -0.01 0.01 0.09 0.16 -0.07 -0.02 -0.02 0.01 7 7 0.02 0.00 0.00 -0.20 -0.06 -0.02 -0.01 -0.00 -0.00 8 7 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.02 9 7 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 10 6 0.00 0.01 -0.01 -0.09 -0.25 0.13 0.01 0.02 -0.01 11 6 -0.02 -0.00 -0.00 0.28 0.07 0.03 -0.01 -0.01 0.01 12 6 -0.01 -0.01 -0.01 -0.01 -0.08 -0.01 -0.03 -0.05 0.02 13 6 0.02 -0.01 0.00 0.03 0.01 -0.01 -0.03 0.09 -0.12 14 6 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.03 0.05 15 6 -0.00 -0.11 -0.08 -0.00 -0.02 -0.02 0.01 -0.00 -0.01 16 6 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 17 6 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 18 6 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.02 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 0.01 -0.01 0.01 22 6 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 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 0.01 -0.01 0.01 25 6 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 26 6 0.00 -0.00 -0.01 0.02 -0.01 -0.01 0.06 -0.03 -0.03 27 6 -0.00 0.00 -0.00 -0.02 0.01 0.00 -0.07 0.04 0.03 28 6 -0.00 -0.00 0.01 -0.00 -0.01 0.02 0.02 -0.04 0.07 29 6 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.06 -0.02 -0.06 30 6 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.06 0.04 0.01 31 6 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.03 0.06 32 1 0.01 -0.02 0.01 -0.14 0.28 -0.21 0.01 -0.06 0.04 33 1 -0.01 0.02 -0.01 0.00 -0.42 0.25 0.05 0.07 -0.03 34 1 -0.01 -0.01 -0.01 0.10 -0.06 -0.01 0.61 -0.35 -0.06 35 1 -0.06 -0.05 0.04 -0.01 -0.03 -0.04 0.23 0.19 -0.18 36 1 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 37 1 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 38 1 0.00 -0.00 0.00 0.01 -0.00 0.00 0.03 -0.02 -0.00 39 1 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 40 1 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.00 41 1 -0.01 0.00 0.00 -0.01 0.01 -0.03 0.04 0.04 -0.19 42 1 -0.01 0.01 0.00 -0.05 0.04 0.00 -0.16 0.13 -0.04 43 1 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.05 -0.11 44 1 0.04 0.08 0.05 0.14 0.25 0.32 -0.02 -0.03 -0.16 45 1 0.02 0.05 0.01 -0.31 0.07 0.10 0.22 0.27 0.11 46 1 0.20 0.37 0.40 0.02 0.05 0.09 -0.03 -0.02 0.09 47 1 -0.22 0.36 0.38 -0.02 0.04 0.07 0.00 0.01 0.00 48 1 0.02 0.53 0.12 -0.00 0.09 0.01 -0.08 0.02 -0.01 106 107 108 A A A Frequencies -- 1467.9986 1484.7134 1500.8760 Red. masses -- 3.3169 1.8578 1.6468 Frc consts -- 4.2114 2.4128 2.1857 IR Inten -- 14.0509 53.8139 13.5006 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 0.01 0.00 0.00 -0.01 3 9 0.00 0.00 -0.00 -0.01 -0.00 0.02 0.01 0.00 -0.01 4 8 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.02 -0.00 -0.03 5 7 0.00 0.00 -0.00 0.00 0.04 -0.02 -0.03 -0.03 0.02 6 7 -0.00 -0.00 0.00 0.01 0.00 0.00 0.02 0.03 -0.01 7 7 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.01 0.00 -0.00 8 7 0.01 0.01 -0.05 0.00 0.00 -0.00 0.00 -0.01 0.01 9 7 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 10 6 0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 -0.04 0.02 11 6 0.00 -0.00 0.00 0.02 -0.01 0.01 0.00 0.02 -0.01 12 6 -0.00 -0.00 0.00 -0.07 -0.04 0.05 -0.05 0.01 0.03 13 6 -0.00 0.01 -0.00 0.02 0.02 -0.07 -0.01 -0.03 0.09 14 6 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 15 6 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 16 6 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 17 6 -0.04 0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 18 6 0.02 -0.04 0.11 -0.00 -0.00 0.01 0.01 0.00 -0.01 19 6 -0.02 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 20 6 0.05 -0.01 -0.11 0.00 -0.00 -0.00 -0.00 0.00 0.00 21 6 -0.14 0.10 -0.14 -0.00 0.00 -0.00 0.00 -0.00 0.00 22 6 0.10 -0.07 0.15 0.00 -0.00 0.00 -0.00 0.00 -0.00 23 6 0.09 -0.04 -0.09 0.00 -0.00 -0.00 -0.00 0.00 0.00 24 6 -0.13 0.09 -0.11 -0.00 0.00 -0.00 0.00 -0.00 0.00 25 6 0.10 -0.07 0.13 0.00 -0.00 0.00 -0.00 0.00 -0.00 26 6 0.01 -0.00 -0.01 -0.09 0.02 0.11 0.06 -0.00 -0.10 27 6 -0.01 0.01 0.00 0.07 -0.05 -0.00 -0.05 0.03 0.00 28 6 0.00 -0.01 0.01 0.01 0.04 -0.12 -0.00 -0.03 0.09 29 6 0.01 -0.00 -0.01 -0.05 0.02 0.06 0.04 -0.01 -0.05 30 6 -0.01 0.01 0.00 0.04 -0.03 -0.01 -0.04 0.02 0.03 31 6 0.00 -0.00 0.01 0.00 0.02 -0.06 0.00 -0.02 0.04 32 1 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.02 0.06 -0.04 33 1 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.05 -0.05 0.01 34 1 0.04 -0.02 -0.00 0.23 -0.11 -0.01 -0.31 0.20 0.04 35 1 -0.00 0.00 0.03 0.01 0.01 -0.01 -0.04 -0.03 0.00 36 1 0.11 -0.05 0.05 0.00 -0.00 -0.00 -0.01 0.00 0.00 37 1 0.03 -0.08 0.49 0.00 -0.00 0.01 -0.00 0.00 -0.01 38 1 -0.31 0.16 0.11 -0.00 0.00 0.00 0.00 -0.00 -0.00 39 1 0.02 -0.08 0.49 -0.00 -0.00 0.00 0.00 0.00 -0.01 40 1 -0.32 0.16 0.08 -0.01 0.01 0.00 0.01 -0.01 -0.00 41 1 0.00 0.01 -0.02 0.02 -0.06 0.10 -0.01 0.04 -0.08 42 1 -0.03 0.02 -0.01 0.18 -0.15 0.03 -0.11 0.10 -0.04 43 1 -0.00 0.01 -0.01 0.02 -0.04 0.06 0.01 0.03 -0.08 44 1 0.00 0.00 -0.02 0.19 0.36 -0.53 0.14 0.26 -0.52 45 1 0.02 0.00 0.00 0.56 -0.11 -0.07 0.54 -0.25 -0.15 46 1 0.00 0.01 0.01 -0.02 -0.02 0.03 0.02 0.01 -0.06 47 1 -0.01 0.01 -0.01 0.02 -0.02 0.03 -0.01 0.01 0.02 48 1 -0.01 -0.00 -0.00 -0.00 0.04 0.01 0.06 -0.02 -0.00 109 110 111 A A A Frequencies -- 1507.8279 1512.8694 1515.5275 Red. masses -- 1.0719 2.8415 1.1691 Frc consts -- 1.4358 3.8318 1.5821 IR Inten -- 3.4875 23.2210 30.7983 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 0.01 0.00 -0.01 -0.01 -0.00 0.01 5 7 0.01 0.02 -0.01 0.05 0.24 -0.13 -0.01 -0.05 0.03 6 7 -0.00 -0.01 0.01 -0.03 -0.10 0.06 0.01 0.02 -0.01 7 7 -0.01 -0.00 -0.00 -0.06 -0.02 -0.01 0.01 0.00 0.00 8 7 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.01 9 7 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 10 6 0.00 0.01 -0.01 0.03 0.10 -0.05 -0.01 -0.02 0.01 11 6 0.00 -0.01 0.01 0.04 -0.14 0.09 -0.01 0.03 -0.02 12 6 0.00 -0.01 0.00 -0.03 -0.08 0.03 0.01 0.02 -0.01 13 6 -0.01 0.00 0.00 0.00 -0.02 0.04 0.01 0.01 -0.03 14 6 -0.01 0.01 -0.02 -0.01 -0.00 0.01 -0.03 -0.01 0.01 15 6 -0.02 0.02 -0.03 -0.02 -0.01 0.02 -0.04 -0.02 0.02 16 6 -0.02 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.01 0.01 17 6 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 18 6 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 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 0.01 -0.00 0.00 26 6 0.01 -0.00 -0.00 0.02 -0.00 -0.03 -0.01 0.00 0.01 27 6 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 28 6 -0.00 -0.00 0.01 -0.01 -0.01 0.03 0.00 0.00 -0.01 29 6 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 30 6 -0.00 0.00 -0.00 -0.01 0.00 -0.00 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 0.01 -0.02 0.02 0.05 -0.23 0.16 -0.01 0.05 -0.04 33 1 0.02 0.01 -0.00 0.21 0.12 0.00 -0.05 -0.03 -0.00 34 1 0.00 0.01 0.01 -0.16 0.09 0.02 0.09 -0.05 -0.01 35 1 -0.02 0.05 0.09 -0.01 -0.03 -0.03 0.06 0.07 -0.05 36 1 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 37 1 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 38 1 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 39 1 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 40 1 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 41 1 -0.00 0.00 -0.01 -0.02 0.01 0.00 0.00 -0.01 -0.00 42 1 -0.01 0.01 -0.00 -0.04 0.03 -0.00 0.02 -0.01 0.00 43 1 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 44 1 0.00 0.00 0.01 0.16 0.27 0.04 -0.04 -0.07 0.01 45 1 -0.04 -0.02 0.00 -0.26 -0.31 -0.03 0.05 0.09 0.02 46 1 -0.28 -0.38 -0.06 0.23 0.21 -0.33 0.26 0.18 -0.55 47 1 0.30 -0.34 0.53 -0.17 0.22 0.01 -0.15 0.24 0.27 48 1 0.39 0.33 0.09 0.26 -0.22 -0.03 0.59 -0.20 -0.01 112 113 114 A A A Frequencies -- 1536.5658 1557.3092 1579.5715 Red. masses -- 3.4094 3.7444 6.6099 Frc consts -- 4.7427 5.3503 9.7168 IR Inten -- 6.7592 194.9908 43.2236 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 0.01 -0.00 -0.00 2 9 -0.00 0.00 0.00 -0.04 0.02 0.02 -0.00 -0.00 0.00 3 9 -0.00 0.00 0.00 -0.04 0.02 0.03 -0.00 0.00 0.00 4 8 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 5 7 0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 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 0.04 -0.03 0.05 0.00 -0.00 0.00 -0.24 0.15 -0.20 9 7 -0.02 0.01 -0.02 0.00 -0.00 0.00 -0.02 0.01 -0.01 10 6 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 11 6 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 12 6 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 13 6 -0.00 0.01 -0.02 0.03 -0.03 0.02 0.01 -0.01 0.03 14 6 0.00 -0.01 0.04 0.00 0.00 -0.01 -0.02 0.04 -0.09 15 6 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 16 6 -0.07 0.06 -0.12 -0.01 0.00 -0.00 0.29 -0.22 0.36 17 6 -0.19 0.06 0.01 0.00 -0.00 -0.00 -0.04 0.01 0.00 18 6 0.23 -0.08 0.01 -0.00 0.00 0.00 0.02 0.02 -0.07 19 6 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 20 6 0.02 -0.02 0.04 -0.00 0.00 -0.00 0.10 -0.07 0.06 21 6 0.01 0.01 -0.10 0.00 -0.00 0.00 0.01 0.00 -0.03 22 6 -0.09 0.05 0.01 0.00 -0.00 -0.00 -0.05 0.03 -0.02 23 6 0.06 -0.05 0.12 -0.00 0.00 -0.00 0.03 -0.03 0.14 24 6 0.04 -0.01 -0.11 -0.00 -0.00 0.00 0.00 0.02 -0.15 25 6 -0.15 0.08 -0.01 0.00 -0.00 -0.00 -0.10 0.05 0.03 26 6 -0.00 0.00 0.01 -0.11 0.13 -0.11 -0.01 0.00 -0.01 27 6 0.00 -0.00 0.00 -0.05 -0.02 0.15 -0.00 0.00 0.00 28 6 0.00 0.00 -0.01 0.16 -0.08 -0.10 0.01 -0.00 0.00 29 6 -0.00 0.00 0.00 -0.06 0.07 -0.08 -0.00 0.00 -0.00 30 6 -0.00 -0.00 0.00 -0.10 -0.01 0.22 -0.00 -0.00 0.01 31 6 0.00 -0.00 -0.00 0.19 -0.11 -0.10 0.00 0.00 -0.00 32 1 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 33 1 -0.01 -0.00 -0.00 0.02 0.02 0.00 0.01 0.01 -0.00 34 1 0.07 -0.03 -0.00 0.05 -0.03 0.00 -0.08 0.05 -0.00 35 1 -0.00 -0.01 0.06 -0.06 -0.05 0.04 0.07 0.06 -0.30 36 1 0.14 -0.12 0.21 0.00 -0.00 -0.00 -0.08 0.02 -0.01 37 1 0.12 -0.11 0.27 -0.00 0.00 -0.00 0.07 -0.06 0.15 38 1 0.34 -0.20 0.09 -0.01 0.00 -0.00 0.22 -0.13 0.03 39 1 0.18 -0.14 0.31 -0.00 0.00 -0.01 0.14 -0.12 0.29 40 1 0.41 -0.23 0.09 -0.01 0.00 -0.00 0.26 -0.16 0.10 41 1 0.01 -0.00 -0.00 0.25 -0.02 -0.40 0.00 -0.00 -0.01 42 1 0.01 -0.00 0.00 0.32 -0.17 -0.15 0.01 -0.01 -0.01 43 1 0.00 -0.00 -0.00 0.28 -0.00 -0.52 0.01 -0.00 -0.01 44 1 -0.01 -0.02 0.01 0.00 0.01 0.11 0.02 0.03 -0.01 45 1 0.01 0.05 0.02 -0.10 -0.02 -0.00 -0.01 -0.08 -0.03 46 1 0.07 0.06 -0.09 -0.01 -0.00 0.02 -0.06 -0.05 0.13 47 1 -0.06 0.07 -0.05 0.01 -0.01 0.01 0.05 -0.07 0.07 48 1 0.03 -0.11 -0.02 0.00 0.02 0.00 -0.03 0.18 0.04 115 116 117 A A A Frequencies -- 1595.1593 1595.3937 1641.0925 Red. masses -- 5.1512 4.5550 7.4977 Frc consts -- 7.7226 6.8308 11.8972 IR Inten -- 0.7826 65.0480 0.3610 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 7 0.02 0.01 -0.00 -0.12 -0.10 0.03 -0.00 0.00 -0.00 6 7 0.00 0.02 -0.01 -0.02 -0.13 0.07 0.00 -0.00 0.00 7 7 0.02 0.02 -0.01 -0.14 -0.15 0.05 -0.00 0.00 -0.00 8 7 -0.08 0.05 -0.06 -0.01 0.01 -0.01 -0.07 0.04 -0.04 9 7 0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 10 6 -0.01 -0.04 0.02 0.05 0.25 -0.14 -0.00 -0.00 0.00 11 6 -0.03 -0.03 0.01 0.24 0.24 -0.08 0.00 -0.00 0.00 12 6 -0.00 -0.00 0.00 0.03 0.02 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 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 15 6 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 16 6 0.06 -0.04 0.05 0.01 -0.01 0.01 0.07 -0.04 0.06 17 6 -0.23 0.07 0.00 -0.03 0.01 0.00 -0.08 0.02 0.02 18 6 0.33 -0.14 0.09 0.04 -0.02 0.01 0.15 -0.04 -0.05 19 6 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.02 20 6 -0.13 0.09 -0.18 -0.02 0.01 -0.02 -0.26 0.10 0.30 21 6 -0.01 -0.01 0.15 -0.00 -0.00 0.02 0.08 -0.01 -0.23 22 6 0.16 -0.08 -0.03 0.02 -0.01 -0.00 -0.21 0.10 0.10 23 6 -0.15 0.08 -0.03 -0.02 0.01 -0.00 0.21 -0.08 -0.27 24 6 0.04 -0.04 0.09 0.01 -0.00 0.01 -0.06 -0.00 0.24 25 6 0.03 -0.01 -0.02 0.00 -0.00 -0.00 0.21 -0.10 -0.12 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 -0.01 0.07 -0.04 0.09 -0.46 0.30 -0.00 -0.00 -0.00 33 1 0.03 0.07 -0.03 -0.20 -0.50 0.24 0.00 -0.00 0.00 34 1 0.02 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 35 1 0.02 0.01 -0.07 0.00 0.00 -0.02 0.02 0.01 -0.07 36 1 0.16 -0.12 0.25 0.02 -0.02 0.03 -0.03 -0.02 0.07 37 1 -0.19 0.13 -0.39 -0.02 0.02 -0.05 0.21 -0.13 0.15 38 1 -0.32 0.19 -0.12 -0.04 0.02 -0.02 0.22 -0.15 0.19 39 1 -0.06 0.08 -0.29 -0.01 0.01 -0.03 -0.21 0.14 -0.21 40 1 -0.19 0.11 -0.07 -0.02 0.01 -0.01 -0.20 0.14 -0.21 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 44 1 -0.01 -0.01 0.01 0.08 0.10 -0.05 0.00 0.01 -0.00 45 1 -0.01 -0.01 -0.00 0.09 0.01 -0.00 0.00 -0.01 -0.00 46 1 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.02 47 1 0.01 -0.01 0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 48 1 -0.00 0.03 0.01 0.00 0.01 0.00 -0.01 0.02 0.00 118 119 120 A A A Frequencies -- 1683.9622 1694.9525 1707.6911 Red. masses -- 7.6975 6.1396 8.1849 Frc consts -- 12.8607 10.3921 14.0631 IR Inten -- 16.1688 32.7874 6.0015 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 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 3 9 0.03 -0.02 -0.02 0.00 -0.00 -0.00 -0.01 -0.00 0.02 4 8 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 5 7 -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 0.01 -0.01 0.01 -0.00 0.00 -0.00 9 7 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 10 6 -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 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 13 6 0.03 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.04 14 6 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -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 -0.02 0.01 -0.02 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 0.03 -0.02 0.03 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 -0.13 0.09 -0.14 0.00 -0.00 0.00 21 6 0.00 -0.00 0.00 0.15 -0.11 0.26 -0.00 0.00 -0.00 22 6 -0.00 0.00 -0.00 -0.23 0.15 -0.13 0.00 -0.00 0.00 23 6 0.00 -0.00 0.00 0.12 -0.08 0.12 -0.00 0.00 -0.00 24 6 -0.00 0.00 -0.00 -0.14 0.11 -0.25 0.00 -0.00 0.00 25 6 0.00 -0.00 0.00 0.24 -0.15 0.13 -0.00 0.00 -0.00 26 6 -0.28 0.20 0.02 0.00 -0.00 -0.00 0.03 0.08 -0.24 27 6 0.17 -0.08 -0.11 -0.00 0.00 0.00 -0.12 -0.06 0.36 28 6 -0.27 0.21 -0.02 0.00 0.00 -0.00 -0.01 0.14 -0.33 29 6 0.36 -0.25 -0.03 -0.00 0.00 0.00 -0.02 -0.05 0.16 30 6 -0.18 0.10 0.08 0.00 -0.00 -0.00 0.11 0.06 -0.34 31 6 0.19 -0.18 0.08 -0.00 0.00 0.00 0.03 -0.16 0.35 32 1 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 33 1 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 34 1 0.06 -0.04 0.01 -0.01 0.00 0.00 -0.04 0.02 0.00 35 1 -0.03 -0.03 0.01 -0.00 -0.00 0.01 0.01 0.02 -0.02 36 1 -0.00 -0.00 0.00 0.02 -0.00 0.01 -0.00 -0.00 -0.00 37 1 0.00 -0.00 -0.00 -0.03 0.06 -0.37 0.00 -0.00 0.00 38 1 0.00 -0.00 0.00 0.31 -0.17 -0.04 -0.00 0.00 0.00 39 1 -0.00 0.00 0.00 0.02 -0.06 0.36 -0.00 0.00 -0.00 40 1 -0.00 0.00 -0.00 -0.32 0.17 0.04 0.00 -0.00 -0.00 41 1 -0.01 -0.10 0.25 0.00 0.00 -0.00 0.25 -0.05 -0.31 42 1 -0.42 0.28 0.08 0.00 -0.00 0.00 -0.01 -0.06 0.18 43 1 -0.07 0.12 -0.17 -0.00 -0.00 0.00 -0.23 0.06 0.29 44 1 0.01 0.02 0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.03 45 1 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.05 -0.02 46 1 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 47 1 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 48 1 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 121 122 123 A A A Frequencies -- 2387.4726 3096.8316 3131.4530 Red. masses -- 12.6787 1.0347 1.0838 Frc consts -- 42.5797 5.8463 6.2615 IR Inten -- 47.9709 16.6594 1.6826 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 7 -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 -0.38 0.26 -0.36 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 10 6 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 -0.06 0.05 -0.02 15 6 -0.00 -0.00 0.00 -0.01 -0.04 -0.03 0.01 -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 0.52 -0.35 0.50 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 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 22 6 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 23 6 -0.08 0.05 -0.07 -0.00 0.00 -0.00 -0.00 -0.00 0.00 24 6 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 25 6 0.01 -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 0.00 -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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.75 -0.59 0.25 36 1 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 37 1 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 38 1 0.00 -0.00 -0.01 -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 44 1 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.03 -0.00 45 1 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.06 46 1 0.00 -0.00 -0.00 -0.42 0.29 -0.12 -0.08 0.05 -0.02 47 1 -0.00 -0.00 -0.00 0.52 0.33 -0.09 -0.04 -0.03 0.01 48 1 -0.00 0.00 -0.00 -0.03 -0.17 0.55 0.01 0.01 -0.04 124 125 126 A A A Frequencies -- 3136.6048 3180.8302 3194.8398 Red. masses -- 1.0596 1.1034 1.1032 Frc consts -- 6.1423 6.5777 6.6346 IR Inten -- 16.6136 19.6588 6.9962 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 7 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 6 -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 0.04 0.00 -0.06 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 15 6 -0.00 0.00 -0.00 0.06 0.04 -0.06 -0.07 0.04 -0.05 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 0.00 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 -0.07 0.05 -0.02 -0.02 0.02 -0.01 0.09 -0.07 0.03 36 1 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 37 1 0.00 -0.00 0.00 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 44 1 -0.54 0.29 -0.04 -0.00 0.00 -0.00 -0.04 0.02 -0.00 45 1 0.10 -0.30 0.72 0.00 -0.00 0.00 -0.00 0.01 -0.04 46 1 0.01 -0.01 0.00 -0.10 0.09 -0.04 0.66 -0.47 0.17 47 1 0.01 0.01 -0.00 -0.61 -0.39 0.09 0.21 0.15 -0.04 48 1 -0.00 -0.00 0.00 -0.02 -0.19 0.63 -0.04 -0.13 0.45 127 128 129 A A A Frequencies -- 3201.1855 3234.1207 3249.4956 Red. masses -- 1.1054 1.0887 1.0893 Frc consts -- 6.6744 6.7091 6.7767 IR Inten -- 2.0563 5.9559 1.3127 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 7 -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 6 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 -0.06 0.05 -0.05 -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 -0.07 0.03 0.03 0.00 -0.00 -0.00 22 6 -0.00 0.00 -0.00 0.01 -0.00 -0.03 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 -0.06 0.03 0.03 25 6 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.04 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 0.00 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 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 36 1 0.00 0.00 -0.00 -0.02 -0.01 0.04 0.00 0.00 -0.00 37 1 -0.00 0.00 0.00 0.76 -0.39 -0.34 -0.03 0.02 0.01 38 1 -0.00 0.00 -0.00 -0.07 -0.01 0.37 -0.00 0.00 0.00 39 1 0.00 -0.00 0.00 0.03 -0.01 -0.01 0.71 -0.35 -0.30 40 1 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.10 -0.01 0.52 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 44 1 0.69 -0.38 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.00 45 1 0.07 -0.22 0.56 -0.00 -0.00 0.00 -0.00 0.00 -0.00 46 1 0.04 -0.03 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 47 1 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 48 1 -0.00 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 130 131 132 A A A Frequencies -- 3256.1953 3256.2131 3264.9557 Red. masses -- 1.0955 1.0894 1.0954 Frc consts -- 6.8436 6.8054 6.8800 IR Inten -- 3.3718 1.3927 0.7153 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 7 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 6 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 0.03 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 22 6 0.01 0.00 -0.08 -0.00 -0.00 0.00 -0.00 -0.00 0.01 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 0.04 -0.02 -0.01 25 6 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.07 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 -0.02 0.04 -0.00 -0.00 0.00 30 6 -0.00 0.00 -0.00 -0.05 0.05 -0.03 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 36 1 0.01 0.00 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 37 1 -0.31 0.16 0.13 0.01 -0.00 -0.00 0.03 -0.01 -0.01 38 1 -0.17 -0.02 0.91 0.00 0.00 -0.02 0.01 0.00 -0.07 39 1 -0.05 0.02 0.02 0.00 -0.00 -0.00 -0.44 0.21 0.18 40 1 -0.01 -0.00 0.05 0.00 0.00 -0.00 -0.15 -0.02 0.83 41 1 0.00 -0.00 0.00 0.02 -0.02 0.01 0.00 -0.00 0.00 42 1 0.00 0.00 -0.01 0.05 0.18 -0.52 0.00 0.00 -0.00 43 1 0.01 -0.01 0.01 0.57 -0.54 0.28 -0.00 0.00 -0.00 44 1 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 45 1 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 46 1 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 47 1 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 48 1 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 133 134 135 A A A Frequencies -- 3269.7374 3289.9555 3302.3485 Red. masses -- 1.0967 1.0916 1.0955 Frc consts -- 6.9084 6.9613 7.0391 IR Inten -- 0.3493 7.8719 3.5063 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 7 -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 6 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.01 11 6 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.03 -0.03 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 -0.00 -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 -0.06 0.06 -0.03 -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 0.02 -0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 30 6 -0.04 0.03 -0.01 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 0.48 0.07 0.08 33 1 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.73 -0.29 0.36 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 -0.00 -0.00 -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 -0.01 0.01 -0.00 0.68 -0.63 0.36 0.00 -0.00 0.00 42 1 -0.08 -0.26 0.78 -0.00 -0.01 0.02 0.00 0.00 -0.00 43 1 0.38 -0.36 0.18 -0.01 0.01 -0.01 -0.00 0.00 -0.00 44 1 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 45 1 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 46 1 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 47 1 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 48 1 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 136 137 138 A A A Frequencies -- 3306.5024 3314.5225 3732.9964 Red. masses -- 1.0998 1.0949 1.0659 Frc consts -- 7.0841 7.0868 8.7513 IR Inten -- 2.5564 4.6360 334.8153 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 0.01 0.03 -0.06 5 7 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 6 -0.08 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 11 6 0.04 -0.01 0.02 -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 0.05 0.01 -0.07 -0.00 0.00 0.00 18 6 -0.00 0.00 -0.00 -0.01 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 0.84 0.12 0.14 0.00 0.00 0.00 -0.00 -0.00 -0.00 33 1 -0.42 0.17 -0.21 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 -0.08 -0.43 0.90 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 -0.51 -0.15 0.84 -0.00 0.00 0.00 37 1 0.00 -0.00 -0.00 -0.04 0.02 0.02 -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 44 1 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 45 1 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 46 1 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 47 1 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 48 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 7 and mass 14.00307 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 6 and mass 12.00000 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 Atom 44 has atomic number 1 and mass 1.00783 Atom 45 has atomic number 1 and mass 1.00783 Atom 46 has atomic number 1 and mass 1.00783 Atom 47 has atomic number 1 and mass 1.00783 Atom 48 has atomic number 1 and mass 1.00783 Molecular mass: 437.11219 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 7534.96955******************** X 0.05625 0.97813 -0.20025 Y -0.53540 0.19884 0.82086 Z 0.84273 0.06103 0.53487 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.01149 0.00338 0.00315 Rotational constants (GHZ): 0.23952 0.07043 0.06558 Zero-point vibrational energy 951909.5 (Joules/Mol) 227.51184 (Kcal/Mol) Warning -- explicit consideration of 42 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 21.05 36.47 36.89 46.00 52.00 (Kelvin) 65.45 91.70 111.78 127.65 141.22 162.15 199.83 223.49 235.82 261.69 279.89 295.08 317.04 334.83 369.03 399.25 411.26 420.87 432.37 455.69 494.47 555.65 570.58 586.60 589.49 601.46 627.93 669.28 676.29 692.55 762.62 780.12 804.22 811.88 821.08 824.57 842.56 905.58 922.48 942.70 948.52 981.66 1011.41 1016.71 1033.67 1045.39 1068.18 1119.44 1123.09 1131.25 1132.88 1150.13 1200.21 1230.91 1258.18 1268.39 1271.12 1300.76 1306.94 1309.99 1344.73 1361.89 1375.31 1405.30 1412.26 1438.77 1444.54 1470.73 1498.32 1505.27 1520.83 1548.67 1583.35 1616.61 1629.46 1651.06 1661.17 1689.05 1716.05 1724.59 1745.02 1765.65 1792.70 1796.41 1801.36 1821.02 1836.95 1912.51 1916.98 1923.58 1926.43 1947.83 1981.23 1989.89 1996.41 2009.88 2011.90 2039.87 2063.01 2081.96 2112.12 2136.17 2159.43 2169.43 2176.68 2180.51 2210.78 2240.62 2272.65 2295.08 2295.42 2361.17 2422.85 2438.66 2456.99 3435.04 4455.65 4505.46 4512.87 4576.51 4596.66 4605.79 4653.18 4675.30 4684.94 4684.96 4697.54 4704.42 4733.51 4751.34 4757.32 4768.86 5370.95 Zero-point correction= 0.362563 (Hartree/Particle) Thermal correction to Energy= 0.388864 Thermal correction to Enthalpy= 0.389808 Thermal correction to Gibbs Free Energy= 0.302826 Sum of electronic and zero-point Energies= -1797.176159 Sum of electronic and thermal Energies= -1797.149858 Sum of electronic and thermal Enthalpies= -1797.148914 Sum of electronic and thermal Free Energies= -1797.235896 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 244.016 100.893 183.069 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 44.115 Rotational 0.889 2.981 36.917 Vibrational 242.238 94.932 102.038 Vibration 1 0.593 1.986 7.255 Vibration 2 0.593 1.985 6.164 Vibration 3 0.593 1.985 6.141 Vibration 4 0.594 1.983 5.703 Vibration 5 0.594 1.982 5.460 Vibration 6 0.595 1.979 5.004 Vibration 7 0.597 1.972 4.338 Vibration 8 0.599 1.964 3.948 Vibration 9 0.602 1.957 3.688 Vibration 10 0.604 1.950 3.491 Vibration 11 0.607 1.939 3.222 Vibration 12 0.614 1.914 2.819 Vibration 13 0.620 1.897 2.606 Vibration 14 0.623 1.887 2.504 Vibration 15 0.630 1.864 2.309 Vibration 16 0.635 1.847 2.184 Vibration 17 0.640 1.833 2.087 Vibration 18 0.647 1.810 1.956 Vibration 19 0.653 1.791 1.858 Vibration 20 0.666 1.752 1.686 Vibration 21 0.678 1.715 1.549 Vibration 22 0.684 1.700 1.498 Vibration 23 0.688 1.688 1.459 Vibration 24 0.693 1.673 1.414 Vibration 25 0.704 1.642 1.327 Vibration 26 0.722 1.588 1.195 Vibration 27 0.755 1.500 1.015 Vibration 28 0.763 1.477 0.975 Vibration 29 0.772 1.453 0.935 Vibration 30 0.774 1.449 0.928 Vibration 31 0.781 1.431 0.899 Vibration 32 0.797 1.391 0.838 Vibration 33 0.823 1.327 0.751 Vibration 34 0.827 1.317 0.737 Vibration 35 0.838 1.291 0.706 Vibration 36 0.885 1.184 0.587 Vibration 37 0.897 1.157 0.561 Vibration 38 0.915 1.120 0.526 Vibration 39 0.920 1.109 0.515 Vibration 40 0.927 1.095 0.503 Vibration 41 0.929 1.089 0.498 Vibration 42 0.943 1.063 0.475 Q Log10(Q) Ln(Q) Total Bot 0.512780-139 -139.290069 -320.727237 Total V=0 0.300105D+28 27.477273 63.268760 Vib (Bot) 0.547077-155 -155.261952 -357.503856 Vib (Bot) 1 0.141619D+02 1.151122 2.650555 Vib (Bot) 2 0.817046D+01 0.912247 2.100525 Vib (Bot) 3 0.807773D+01 0.907290 2.089111 Vib (Bot) 4 0.647501D+01 0.811241 1.867950 Vib (Bot) 5 0.572689D+01 0.757919 1.745172 Vib (Bot) 6 0.454630D+01 0.657658 1.514314 Vib (Bot) 7 0.323872D+01 0.510373 1.175178 Vib (Bot) 8 0.265171D+01 0.423526 0.975206 Vib (Bot) 9 0.231796D+01 0.365106 0.840687 Vib (Bot) 10 0.209166D+01 0.320490 0.737956 Vib (Bot) 11 0.181627D+01 0.259180 0.596784 Vib (Bot) 12 0.146446D+01 0.165679 0.381489 Vib (Bot) 13 0.130333D+01 0.115055 0.264923 Vib (Bot) 14 0.123194D+01 0.090588 0.208586 Vib (Bot) 15 0.110354D+01 0.042790 0.098527 Vib (Bot) 16 0.102710D+01 0.011611 0.026735 Vib (Bot) 17 0.970299D+00 -0.013094 -0.030151 Vib (Bot) 18 0.897527D+00 -0.046953 -0.108112 Vib (Bot) 19 0.845313D+00 -0.072982 -0.168048 Vib (Bot) 20 0.758568D+00 -0.120005 -0.276323 Vib (Bot) 21 0.693774D+00 -0.158782 -0.365610 Vib (Bot) 22 0.670521D+00 -0.173587 -0.399700 Vib (Bot) 23 0.652850D+00 -0.185186 -0.426407 Vib (Bot) 24 0.632662D+00 -0.198828 -0.457819 Vib (Bot) 25 0.594688D+00 -0.225711 -0.519719 Vib (Bot) 26 0.539028D+00 -0.268388 -0.617987 Vib (Bot) 27 0.466134D+00 -0.331489 -0.763282 Vib (Bot) 28 0.450569D+00 -0.346239 -0.797244 Vib (Bot) 29 0.434684D+00 -0.361827 -0.833136 Vib (Bot) 30 0.431910D+00 -0.364607 -0.839539 Vib (Bot) 31 0.420659D+00 -0.376070 -0.865932 Vib (Bot) 32 0.397223D+00 -0.400965 -0.923257 Vib (Bot) 33 0.364077D+00 -0.438807 -1.010390 Vib (Bot) 34 0.358832D+00 -0.445108 -1.024900 Vib (Bot) 35 0.347057D+00 -0.459599 -1.058265 Vib (Bot) 36 0.301714D+00 -0.520404 -1.198274 Vib (Bot) 37 0.291590D+00 -0.535228 -1.232408 Vib (Bot) 38 0.278337D+00 -0.555428 -1.278921 Vib (Bot) 39 0.274283D+00 -0.561801 -1.293595 Vib (Bot) 40 0.269509D+00 -0.569427 -1.311154 Vib (Bot) 41 0.267721D+00 -0.572317 -1.317809 Vib (Bot) 42 0.258749D+00 -0.587122 -1.351898 Vib (V=0) 0.320177D+12 11.505391 26.492141 Vib (V=0) 1 0.146707D+02 1.166452 2.685854 Vib (V=0) 2 0.868575D+01 0.938807 2.161683 Vib (V=0) 3 0.859319D+01 0.934155 2.150971 Vib (V=0) 4 0.699429D+01 0.844743 1.945094 Vib (V=0) 5 0.624867D+01 0.795788 1.832369 Vib (V=0) 6 0.507371D+01 0.705326 1.624073 Vib (V=0) 7 0.377709D+01 0.577157 1.328953 Vib (V=0) 8 0.319844D+01 0.504938 1.162663 Vib (V=0) 9 0.287127D+01 0.458074 1.054755 Vib (V=0) 10 0.265059D+01 0.423342 0.974781 Vib (V=0) 11 0.238383D+01 0.377276 0.868710 Vib (V=0) 12 0.204747D+01 0.311217 0.716603 Vib (V=0) 13 0.189595D+01 0.277826 0.639719 Vib (V=0) 14 0.182954D+01 0.262341 0.604062 Vib (V=0) 15 0.171153D+01 0.233385 0.537389 Vib (V=0) 16 0.164233D+01 0.215461 0.496118 Vib (V=0) 17 0.159155D+01 0.201820 0.464708 Vib (V=0) 18 0.152740D+01 0.183953 0.423568 Vib (V=0) 19 0.148212D+01 0.170883 0.393472 Vib (V=0) 20 0.140853D+01 0.148766 0.342546 Vib (V=0) 21 0.135517D+01 0.131995 0.303930 Vib (V=0) 22 0.133642D+01 0.125943 0.289995 Vib (V=0) 23 0.132232D+01 0.121337 0.279389 Vib (V=0) 24 0.130639D+01 0.116072 0.267266 Vib (V=0) 25 0.127695D+01 0.106174 0.244476 Vib (V=0) 26 0.123522D+01 0.091745 0.211251 Vib (V=0) 27 0.118358D+01 0.073197 0.168543 Vib (V=0) 28 0.117306D+01 0.069321 0.159617 Vib (V=0) 29 0.116253D+01 0.065405 0.150601 Vib (V=0) 30 0.116072D+01 0.064726 0.149037 Vib (V=0) 31 0.115342D+01 0.061986 0.142729 Vib (V=0) 32 0.113858D+01 0.056364 0.129783 Vib (V=0) 33 0.111851D+01 0.048639 0.111996 Vib (V=0) 34 0.111544D+01 0.047444 0.109245 Vib (V=0) 35 0.110865D+01 0.044793 0.103139 Vib (V=0) 36 0.108398D+01 0.035021 0.080639 Vib (V=0) 37 0.107881D+01 0.032946 0.075861 Vib (V=0) 38 0.107225D+01 0.030297 0.069761 Vib (V=0) 39 0.107029D+01 0.029502 0.067930 Vib (V=0) 40 0.106801D+01 0.028575 0.065797 Vib (V=0) 41 0.106716D+01 0.028231 0.065004 Vib (V=0) 42 0.106298D+01 0.026527 0.061080 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.359206D+09 8.555343 19.699406 Rotational 0.260939D+08 7.416539 17.077213 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 16 -0.000000474 -0.000001532 -0.000001527 2 9 0.000000381 -0.000000793 -0.000000808 3 9 0.000002451 0.000001618 0.000001213 4 8 0.000000352 0.000001139 -0.000000190 5 7 -0.000000183 0.000000972 0.000000371 6 7 -0.000001271 0.000001442 0.000001242 7 7 -0.000001619 0.000001172 0.000001408 8 7 -0.000000306 -0.000000479 -0.000000519 9 7 -0.000000186 -0.000000254 0.000001893 10 6 -0.000001405 0.000000506 0.000002151 11 6 -0.000001440 0.000000344 0.000001296 12 6 -0.000000578 -0.000000666 0.000000221 13 6 0.000000967 -0.000000469 0.000000265 14 6 0.000000972 -0.000000137 -0.000001399 15 6 0.000001741 -0.000000628 -0.000000910 16 6 0.000000315 -0.000001076 -0.000000896 17 6 -0.000001259 -0.000001439 -0.000001581 18 6 0.000000299 -0.000001080 -0.000000829 19 6 -0.000002599 0.000001245 -0.000000924 20 6 -0.000001244 -0.000000378 -0.000000044 21 6 -0.000001439 -0.000000686 -0.000001422 22 6 -0.000001204 -0.000000929 0.000000926 23 6 -0.000000365 -0.000000213 0.000000084 24 6 -0.000000427 0.000000058 0.000001131 25 6 0.000000448 -0.000000212 -0.000000143 26 6 0.000000117 0.000000345 0.000000748 27 6 0.000001992 0.000000603 0.000000336 28 6 0.000001851 0.000001421 0.000000169 29 6 0.000001623 0.000000546 0.000001087 30 6 0.000000962 0.000000394 -0.000000340 31 6 0.000000329 0.000000352 -0.000000461 32 1 -0.000001413 0.000001749 0.000002407 33 1 -0.000001110 0.000000201 0.000000485 34 1 0.000000307 0.000000084 0.000000835 35 1 0.000000282 -0.000000841 -0.000001089 36 1 -0.000001087 -0.000001889 -0.000001643 37 1 -0.000001871 -0.000001349 -0.000000920 38 1 -0.000001848 -0.000000879 -0.000000928 39 1 0.000000039 0.000000858 0.000000729 40 1 0.000000327 0.000000272 0.000000250 41 1 0.000001313 0.000001287 0.000000807 42 1 0.000002056 0.000001152 0.000000006 43 1 0.000001121 -0.000000231 -0.000000212 44 1 -0.000001198 -0.000000360 -0.000000171 45 1 -0.000001162 -0.000000176 -0.000000042 46 1 0.000001592 0.000000069 -0.000000696 47 1 0.000001791 -0.000000971 -0.000001519 48 1 0.000002058 -0.000000161 -0.000000846 ------------------------------------------------------------------- Cartesian Forces: Max 0.000002599 RMS 0.000001071 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 --- 0.00006 0.00013 0.00016 0.00031 0.00048 Eigenvalues --- 0.00058 0.00121 0.00150 0.00174 0.00177 Eigenvalues --- 0.00233 0.00300 0.00530 0.00721 0.00842 Eigenvalues --- 0.00888 0.01000 0.01107 0.01312 0.01394 Eigenvalues --- 0.01479 0.01533 0.01636 0.02037 0.02068 Eigenvalues --- 0.02422 0.02619 0.02682 0.03081 0.03295 Eigenvalues --- 0.03439 0.03510 0.03702 0.03899 0.04002 Eigenvalues --- 0.04445 0.04853 0.04946 0.05133 0.05267 Eigenvalues --- 0.05730 0.05898 0.05927 0.06059 0.06206 Eigenvalues --- 0.06353 0.07018 0.07125 0.07686 0.08018 Eigenvalues --- 0.08304 0.08427 0.08778 0.09201 0.09326 Eigenvalues --- 0.09343 0.10154 0.10206 0.10704 0.11038 Eigenvalues --- 0.11547 0.11772 0.12062 0.12414 0.13535 Eigenvalues --- 0.14072 0.14827 0.15917 0.16099 0.17664 Eigenvalues --- 0.18261 0.18834 0.19206 0.19433 0.19691 Eigenvalues --- 0.20410 0.21435 0.22055 0.22251 0.23488 Eigenvalues --- 0.24306 0.25496 0.25595 0.26984 0.27751 Eigenvalues --- 0.28111 0.29491 0.29812 0.29965 0.32351 Eigenvalues --- 0.35689 0.37787 0.40088 0.44848 0.45222 Eigenvalues --- 0.46412 0.50201 0.54115 0.57680 0.59423 Eigenvalues --- 0.61157 0.65731 0.66535 0.68526 0.70235 Eigenvalues --- 0.71840 0.72934 0.74420 0.77739 0.78942 Eigenvalues --- 0.80764 0.83708 0.85658 0.86384 0.87664 Eigenvalues --- 0.89332 0.91148 0.92182 0.94183 0.97732 Eigenvalues --- 0.99200 1.00560 1.01024 1.07476 1.07952 Eigenvalues --- 1.12201 1.13369 1.16945 1.18603 1.18998 Eigenvalues --- 1.25220 1.26882 1.30267 1.31027 1.32209 Eigenvalues --- 1.32383 1.38950 2.75188 Angle between quadratic step and forces= 84.19 degrees. Linear search not attempted -- first point. B after Tr= -0.000606 -0.000042 0.000098 Rot= 1.000000 0.000003 -0.000009 0.000013 Ang= 0.00 deg. Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 -5.48966 -0.00000 0.00000 0.00006 0.00007 -5.48959 Y1 15.23920 -0.00000 0.00000 0.00028 0.00045 15.23965 Z1 12.61519 -0.00000 0.00000 0.00009 0.00020 12.61540 X2 -3.31096 0.00000 0.00000 0.00012 0.00015 -3.31082 Y2 20.79493 -0.00000 0.00000 0.00030 0.00038 20.79531 Z2 5.73694 -0.00000 0.00000 -0.00008 -0.00004 5.73690 X3 4.33940 0.00000 0.00000 -0.00075 -0.00091 4.33849 Y3 17.49659 0.00000 0.00000 -0.00109 -0.00125 17.49534 Z3 -0.18904 0.00000 0.00000 -0.00042 -0.00050 -0.18954 X4 2.23422 0.00000 0.00000 0.00012 0.00007 2.23429 Y4 15.72839 0.00000 0.00000 0.00040 0.00035 15.72874 Z4 8.39750 -0.00000 0.00000 0.00012 0.00009 8.39759 X5 2.05767 -0.00000 0.00000 0.00017 0.00028 2.05795 Y5 21.28124 0.00000 0.00000 0.00025 0.00021 21.28145 Z5 9.45271 0.00000 0.00000 -0.00004 -0.00010 9.45261 X6 4.43214 -0.00000 0.00000 0.00000 0.00012 4.43225 Y6 20.87585 0.00000 0.00000 0.00030 0.00020 20.87605 Z6 10.28076 0.00000 0.00000 0.00046 0.00036 10.28111 X7 4.21444 -0.00000 0.00000 0.00051 0.00067 4.21511 Y7 24.50213 0.00000 0.00000 0.00003 -0.00007 24.50206 Z7 8.02709 0.00000 0.00000 -0.00001 -0.00013 8.02696 X8 -0.88661 -0.00000 0.00000 0.00008 0.00005 -0.88656 Y8 13.83520 -0.00000 0.00000 0.00034 0.00040 13.83559 Z8 12.29231 -0.00000 0.00000 0.00019 0.00023 12.29254 X9 6.72888 -0.00000 0.00000 0.00000 0.00000 6.72888 Y9 7.61914 -0.00000 0.00000 -0.00040 -0.00048 7.61866 Z9 22.79046 0.00000 0.00000 -0.00023 -0.00029 22.79017 X10 5.64239 -0.00000 0.00000 0.00022 0.00037 5.64276 Y10 22.85767 0.00000 0.00000 0.00016 0.00003 22.85770 Z10 9.37889 0.00000 0.00000 0.00045 0.00032 9.37921 X11 1.97169 -0.00000 0.00000 0.00046 0.00061 1.97229 Y11 23.43892 0.00000 0.00000 0.00010 0.00005 23.43897 Z11 8.10788 0.00000 0.00000 -0.00030 -0.00037 8.10751 X12 0.07787 -0.00000 0.00000 0.00003 0.00010 0.07797 Y12 19.47012 -0.00000 0.00000 0.00039 0.00040 19.47052 Z12 9.88210 0.00000 0.00000 -0.00009 -0.00011 9.88200 X13 0.11471 0.00000 0.00000 0.00006 0.00004 0.11475 Y13 17.25593 -0.00000 0.00000 0.00030 0.00030 17.25623 Z13 7.97324 0.00000 0.00000 0.00004 0.00003 7.97328 X14 -2.36450 0.00000 0.00000 0.00012 0.00007 -2.36443 Y14 15.68356 -0.00000 0.00000 0.00023 0.00029 15.68386 Z14 8.27398 -0.00000 0.00000 0.00013 0.00018 8.27416 X15 -2.33639 0.00000 0.00000 0.00029 0.00015 -2.33624 Y15 13.36221 -0.00000 0.00000 0.00011 0.00016 13.36238 Z15 6.55380 -0.00000 0.00000 0.00028 0.00034 6.55414 X16 -2.67708 0.00000 0.00000 0.00011 0.00008 -2.67700 Y16 14.87691 -0.00000 0.00000 0.00035 0.00044 14.87735 Z16 10.97123 -0.00000 0.00000 0.00016 0.00022 10.97145 X17 -4.10594 -0.00000 0.00000 -0.00003 -0.00001 -4.10594 Y17 13.89121 -0.00000 0.00000 0.00013 0.00028 13.89149 Z17 15.21426 -0.00000 0.00000 0.00006 0.00015 15.21441 X18 -1.64895 0.00000 0.00000 0.00000 -0.00000 -1.64895 Y18 13.27059 -0.00000 0.00000 0.00017 0.00026 13.27085 Z18 14.71321 -0.00000 0.00000 0.00013 0.00018 14.71339 X19 5.31589 -0.00000 0.00000 -0.00003 -0.00003 5.31586 Y19 8.58423 0.00000 0.00000 -0.00029 -0.00035 8.58389 Z19 21.42446 -0.00000 0.00000 -0.00012 -0.00016 21.42429 X20 0.13966 -0.00000 0.00000 -0.00004 -0.00004 0.13962 Y20 12.08231 -0.00000 0.00000 0.00004 0.00009 12.08240 Z20 16.46363 -0.00000 0.00000 0.00009 0.00012 16.46375 X21 -0.32949 -0.00000 0.00000 -0.00087 -0.00083 -0.33032 Y21 12.00604 -0.00000 0.00000 -0.00165 -0.00157 12.00446 Z21 19.06162 -0.00000 0.00000 -0.00011 -0.00007 19.06155 X22 1.35596 -0.00000 0.00000 -0.00089 -0.00084 1.35511 Y22 10.85919 -0.00000 0.00000 -0.00176 -0.00172 10.85748 Z22 20.69147 0.00000 0.00000 -0.00017 -0.00016 20.69131 X23 3.56828 -0.00000 0.00000 -0.00004 -0.00004 3.56824 Y23 9.77010 -0.00000 0.00000 -0.00017 -0.00019 9.76991 Z23 19.74427 0.00000 0.00000 -0.00002 -0.00004 19.74423 X24 4.06328 -0.00000 0.00000 0.00078 0.00073 4.06402 Y24 9.85226 0.00000 0.00000 0.00149 0.00144 9.85370 Z24 17.15294 0.00000 0.00000 0.00019 0.00016 17.15311 X25 2.36122 0.00000 0.00000 0.00077 0.00073 2.36195 Y25 10.99840 -0.00000 0.00000 0.00157 0.00155 10.99995 Z25 15.53619 -0.00000 0.00000 0.00025 0.00024 15.53644 X26 0.31951 0.00000 0.00000 -0.00004 -0.00009 0.31943 Y26 18.22109 0.00000 0.00000 0.00007 0.00005 18.22114 Z26 5.28177 0.00000 0.00000 -0.00006 -0.00007 5.28171 X27 2.28107 0.00000 0.00000 -0.00027 -0.00036 2.28071 Y27 17.41761 0.00000 0.00000 -0.00030 -0.00038 17.41724 Z27 3.72839 0.00000 0.00000 -0.00015 -0.00019 3.72820 X28 2.43640 0.00000 0.00000 -0.00048 -0.00059 2.43581 Y28 18.30015 0.00000 0.00000 -0.00067 -0.00077 18.29938 Z28 1.27380 0.00000 0.00000 -0.00030 -0.00035 1.27345 X29 0.69821 0.00000 0.00000 -0.00042 -0.00051 0.69770 Y29 19.97512 0.00000 0.00000 -0.00063 -0.00069 19.97443 Z29 0.27396 0.00000 0.00000 -0.00033 -0.00036 0.27360 X30 -1.25987 0.00000 0.00000 -0.00019 -0.00023 -1.26011 Y30 20.80031 0.00000 0.00000 -0.00027 -0.00027 20.80004 Z30 1.81019 -0.00000 0.00000 -0.00024 -0.00024 1.80996 X31 -1.40722 0.00000 0.00000 -0.00004 -0.00006 -1.40727 Y31 19.91376 0.00000 0.00000 0.00004 0.00006 19.91382 Z31 4.25818 -0.00000 0.00000 -0.00012 -0.00011 4.25807 X32 7.62928 -0.00000 0.00000 0.00015 0.00031 7.62959 Y32 23.13444 0.00000 0.00000 0.00019 0.00001 23.13445 Z32 9.72136 0.00000 0.00000 0.00083 0.00066 9.72202 X33 0.25278 -0.00000 0.00000 0.00063 0.00077 0.25355 Y33 24.13199 0.00000 0.00000 0.00006 0.00005 24.13203 Z33 7.26428 0.00000 0.00000 -0.00066 -0.00071 7.26357 X34 2.01146 0.00000 0.00000 0.00015 0.00010 2.01157 Y34 14.95707 0.00000 0.00000 0.00049 0.00046 14.95753 Z34 10.04351 0.00000 0.00000 0.00017 0.00014 10.04366 X35 -3.94541 0.00000 0.00000 0.00008 0.00005 -3.94536 Y35 16.90399 -0.00000 0.00000 0.00013 0.00023 16.90422 Z35 7.76609 -0.00000 0.00000 0.00001 0.00008 7.76617 X36 -5.16383 -0.00000 0.00000 -0.00013 -0.00008 -5.16392 Y36 13.59059 -0.00000 0.00000 0.00008 0.00027 13.59086 Z36 16.92451 -0.00000 0.00000 -0.00001 0.00010 16.92461 X37 -2.01077 -0.00000 0.00000 -0.00160 -0.00152 -2.01229 Y37 12.88259 -0.00000 0.00000 -0.00299 -0.00287 12.87973 Z37 19.82340 -0.00000 0.00000 -0.00016 -0.00010 19.82330 X38 0.98674 -0.00000 0.00000 -0.00160 -0.00152 0.98522 Y38 10.81141 -0.00000 0.00000 -0.00311 -0.00305 10.80836 Z38 22.69881 -0.00000 0.00000 -0.00034 -0.00032 22.69849 X39 5.77643 0.00000 0.00000 0.00142 0.00134 5.77777 Y39 9.01340 0.00000 0.00000 0.00272 0.00262 9.01602 Z39 16.42507 0.00000 0.00000 0.00030 0.00024 16.42531 X40 2.72961 0.00000 0.00000 0.00142 0.00134 2.73095 Y40 11.05432 0.00000 0.00000 0.00281 0.00277 11.05709 Z40 13.52974 0.00000 0.00000 0.00041 0.00040 13.53013 X41 3.67687 0.00000 0.00000 -0.00029 -0.00040 3.67647 Y41 16.12474 0.00000 0.00000 -0.00030 -0.00041 16.12433 Z41 4.45720 0.00000 0.00000 -0.00012 -0.00018 4.45702 X42 0.89282 0.00000 0.00000 -0.00054 -0.00064 0.89217 Y42 20.61983 0.00000 0.00000 -0.00088 -0.00096 20.61887 Z42 -1.65190 0.00000 0.00000 -0.00043 -0.00046 -1.65237 X43 -2.66302 0.00000 0.00000 -0.00015 -0.00016 -2.66318 Y43 22.12328 -0.00000 0.00000 -0.00024 -0.00020 22.12308 Z43 1.14227 -0.00000 0.00000 -0.00027 -0.00025 1.14202 X44 -1.72152 -0.00000 0.00000 0.00008 0.00018 -1.72135 Y44 20.45849 -0.00000 0.00000 0.00047 0.00053 20.45902 Z44 9.79457 -0.00000 0.00000 -0.00026 -0.00024 9.79433 X45 0.32908 -0.00000 0.00000 -0.00014 -0.00005 0.32902 Y45 18.71028 -0.00000 0.00000 0.00048 0.00049 18.71077 Z45 11.77556 -0.00000 0.00000 -0.00004 -0.00005 11.77551 X46 -0.69892 0.00000 0.00000 0.00036 0.00019 -0.69873 Y46 12.19818 0.00000 0.00000 0.00024 0.00026 12.19844 Z46 6.99023 -0.00000 0.00000 0.00041 0.00045 6.99067 X47 -4.04141 0.00000 0.00000 0.00036 0.00019 -4.04122 Y47 12.24164 -0.00000 0.00000 0.00001 0.00011 12.24176 Z47 6.81961 -0.00000 0.00000 0.00029 0.00039 6.82000 X48 -2.22618 0.00000 0.00000 0.00033 0.00017 -2.22601 Y48 13.93274 -0.00000 0.00000 -0.00002 0.00002 13.93276 Z48 4.58053 -0.00000 0.00000 0.00024 0.00030 4.58084 Item Value Threshold Converged? Maximum Force 0.000003 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.003047 0.001800 NO RMS Displacement 0.000684 0.001200 YES Predicted change in Energy=-5.256586D-09 Optimization completed on the basis of negligible forces. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad ---------------------------------------------------------------------- Electric dipole moment (input orientation): (Debye = 10**-18 statcoulomb cm , SI units = C m) (au) (Debye) (10**-30 SI) Tot 0.314373D+01 0.799057D+01 0.266537D+02 x -0.306213D+01 -0.778316D+01 -0.259618D+02 y 0.208491D-01 0.529933D-01 0.176766D+00 z -0.711323D+00 -0.180800D+01 -0.603085D+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 0.275934D+03 0.408893D+02 0.454954D+02 aniso 0.201928D+03 0.299226D+02 0.332934D+02 xx 0.277292D+03 0.410904D+02 0.457192D+02 yx -0.481762D+02 -0.713898D+01 -0.794318D+01 yy 0.215173D+03 0.318853D+02 0.354772D+02 zx 0.282540D+02 0.418681D+01 0.465846D+01 zy -0.828315D+02 -0.122744D+02 -0.136571D+02 zz 0.335339D+03 0.496921D+02 0.552899D+02 ---------------------------------------------------------------------- Dipole orientation: 16 -13.44978521 -15.29339939 2.59382840 9 -6.22775676 -20.81478569 2.06485344 9 1.25831886 -17.51756688 -4.06795405 8 -7.59105755 -15.79528639 -3.97199130 7 -8.62957810 -21.35400783 -4.00196090 7 -8.90092208 -20.96663263 -6.50483687 7 -6.73591927 -24.57668434 -5.75881022 7 -12.10099888 -13.91155446 -1.82599294 7 -20.63597858 -7.80545886 -11.66041770 6 -7.73814156 -22.94877592 -7.46647230 6 -7.32774947 -23.50223467 -3.59960651 6 -9.50540213 -19.53537199 -2.18272029 6 -7.64941775 -17.30879383 -1.80137093 6 -8.51168910 -15.72541905 0.53501072 6 -6.84202026 -13.39289124 0.88145710 6 -11.21390383 -14.93503903 0.22382473 6 -15.67534483 -13.96998126 0.64900238 6 -14.63455094 -13.35900364 -1.63495472 6 -19.62011628 -8.75401598 -9.96862230 6 -15.94102954 -12.19179663 -3.78108333 6 -18.57814957 -12.13028645 -3.91245212 6 -19.79031196 -11.00317278 -5.93053792 6 -18.37278215 -9.91949166 -7.87833834 6 -15.73626784 -9.98706469 -7.77361592 6 -14.54062717 -11.11347852 -5.74231328 6 -4.97637932 -18.25714709 -1.38547003 6 -3.02364595 -17.45372964 -2.94996159 6 -0.59297294 -18.32077924 -2.54000887 6 -0.00361360 -19.97989983 -0.60959609 6 -1.93874530 -20.80492839 0.95553205 6 -4.36120031 -19.93386906 0.53927399 1 -7.62062050 -23.23827131 -9.47744325 1 -6.89139363 -24.18062848 -1.72984029 1 -9.24881871 -15.03374253 -4.13257200 1 -8.36831228 -16.93410563 2.19789161 1 -17.58218911 -13.67514199 1.29047090 1 -19.69601818 -13.00300546 -2.44136244 1 -21.82935549 -10.96675471 -6.02541143 1 -14.64401625 -9.15243706 -9.28315918 1 -12.50259084 -11.15802927 -5.64677421 1 -3.42447617 -16.17309490 -4.48300947 1 1.91969334 -20.61283428 -0.35912206 1 -1.59872937 -22.11603807 2.48215860 1 -9.82214414 -20.51364348 -0.40367002 1 -11.29686810 -18.78943995 -2.86086960 1 -6.90268951 -12.24042178 -0.81998047 1 -7.49268582 -12.26514080 2.47463824 1 -4.89203008 -13.95088818 1.22437141 Electric dipole moment (dipole orientation): (Debye = 10**-18 statcoulomb cm , SI units = C m) (au) (Debye) (10**-30 SI) Tot 0.314373D+01 0.799057D+01 0.266537D+02 x 0.000000D+00 0.000000D+00 0.000000D+00 y 0.000000D+00 0.000000D+00 0.000000D+00 z 0.314373D+01 0.799057D+01 0.266537D+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 0.275934D+03 0.408893D+02 0.454954D+02 aniso 0.201928D+03 0.299226D+02 0.332934D+02 xx 0.320642D+03 0.475142D+02 0.528667D+02 yx -0.689675D+02 -0.102199D+02 -0.113712D+02 yy 0.213576D+03 0.316486D+02 0.352139D+02 zx 0.389593D+02 0.577317D+01 0.642351D+01 zy -0.649448D+02 -0.962382D+01 -0.107079D+02 zz 0.293586D+03 0.435049D+02 0.484057D+02 ---------------------------------------------------------------------- 1\1\GINC-JACOL-X399-AORUS-GAMING-7\Freq\RPW6B95D3\6-31G(d,p)\C22H17F2N 5O1S1\JACOL\09-Mar-2024\0\\# PW6B95D3/6-31g(d,p) nosymm freq\\gaussian input\\0,1\S,-2.905003,8.064238,6.675673\F,-1.752087,11.004201,3.0358 56\F,2.296313,9.258796,-0.100034\O,1.182298,8.323105,4.443765\N,1.0888 74,11.261548,5.002158\N,2.345385,11.047025,5.440343\N,2.230184,12.9659 67,4.247755\N,-0.469174,7.321272,6.504812\N,3.560772,4.031875,12.06019 1\C,2.985825,12.095759,4.963096\C,1.043372,12.403341,4.290505\C,0.0412 09,10.303145,5.229384\C,0.060701,9.131445,4.219258\C,-1.251241,8.29938 5,4.378404\C,-1.236366,7.070979,3.46812\C,-1.416648,7.872524,5.805723\ C,-2.172769,7.350911,8.051038\C,-0.872587,7.022493,7.785896\C,2.813049 ,4.542581,11.337335\C,0.073906,6.393682,8.71218\C,-0.174359,6.353321,1 0.086974\C,0.717542,5.746438,10.949453\C,1.888253,5.170115,10.448217\C ,2.150197,5.213589,9.076947\C,1.249503,5.820102,8.221399\C,0.16908,9.6 42185,2.794994\C,1.207092,9.217003,1.97298\C,1.289286,9.684024,0.67406 8\C,0.369475,10.570379,0.144972\C,-0.666697,11.007048,0.957913\C,-0.74 4668,10.537906,2.25333\H,4.037243,12.242218,5.144321\H,0.133764,12.770 097,3.844093\H,1.064421,7.914943,5.314798\H,-2.087819,8.945207,4.10963 8\H,-2.732583,7.19183,8.956063\H,-1.064056,6.817174,10.490091\H,0.5221 58,5.72115,12.011692\H,3.056753,4.769686,8.691772\H,1.444446,5.849693, 7.159628\H,1.945717,8.532847,2.35865\H,0.472459,10.911542,-0.874149\H, -1.40921,11.707138,0.604465\H,-0.910991,10.826166,5.183064\H,0.17414,9 .901055,6.23136\H,-0.369853,6.455,3.699069\H,-2.138621,6.477998,3.6087 82\H,-1.178043,7.372887,2.423914\\Version=ES64L-G16RevA.03\HF=-1797.53 87218\RMSD=6.328e-09\RMSF=1.071e-06\ZeroPoint=0.3625632\Thermal=0.3888 636\Dipole=-3.0621303,0.0208491,-0.7113228\DipoleDeriv=-0.2202505,0.02 12132,0.1710355,0.1791174,0.0235649,0.0813794,-0.1057314,0.178135,-0.2 139671,-0.5831004,0.2016714,0.4185632,0.2133606,-0.2984359,-0.1281327, 0.2865057,-0.1035301,-0.5924936,-0.7111486,0.2142008,0.6107645,0.24854 2,-0.2322903,-0.2367713,0.4419422,-0.1390968,-0.6589165,-0.5966727,0.0 169548,0.0098215,-0.0225889,-0.7705568,0.1920629,-0.0620378,0.1198624, -0.6442627,-0.3865242,-0.3896317,0.133896,-0.264634,-0.3861598,0.00770 72,0.0764222,0.0544106,-0.126525,-0.0347154,0.2582898,-0.0825793,-0.02 57511,-0.3878662,0.1082949,0.0227894,0.1929815,-0.2783981,-0.6258013,- 0.3024558,-0.0238385,-0.1093514,-0.5260876,0.0718623,-0.0296137,0.0443 586,-0.319809,-0.738051,0.0787093,0.0239303,0.1839979,-0.4273578,0.291 3487,-0.1277138,0.2187415,-0.5798142,-0.3879568,0.0654286,-0.1222771,0 .0526484,-0.3709238,0.079545,-0.1003536,0.0770222,-0.3980851,0.4387474 ,-0.0274599,0.118855,-0.0777357,0.1234606,-0.1152051,0.1577618,-0.0605 712,0.129147,0.2739238,0.206964,-0.0026417,0.3068221,0.5503452,-0.0918 345,-0.1207227,-0.2466299,0.1171119,0.3283079,0.2789386,-0.0813605,0.2 15219,0.3449868,0.0520451,-0.0476055,-0.0945654,0.1103299,0.4031957,-0 .0057294,-0.0228212,0.0299546,0.6403137,-0.2226309,0.1071808,-0.025258 9,0.4327598,-0.0340299,0.0117607,0.0878884,-0.0616026,0.0290659,-0.109 3461,-0.0032975,-0.0194907,-0.044673,0.0245201,-0.0780704,0.0328341,-0 .0004745,-0.0298607,0.1598296,0.0297781,0.0366086,-0.038896,0.6135248, 0.0331694,-0.4519377,-0.1506956,-0.022421,-0.0013247,-0.2878383,-0.168 3992,0.5658189,0.0397693,-0.1075932,0.0412457,-0.1648439,-0.1387015,-0 .0718637,0.2148954,-0.0584326,-0.1493158,0.0434715,-0.0466266,0.132886 9,-0.0997018,0.1864416,-0.1625007,0.2162635,-0.2229064,0.3407652,0.264 1843,-0.10863,0.2333411,-0.091695,0.2285679,-0.1421662,0.2013416,-0.13 7655,0.2480973,0.2270031,-0.1670102,0.2618731,-0.0807367,0.1265682,-0. 1246453,0.1608024,-0.1218478,0.2418015,-0.0163264,-0.0316993,-0.151473 7,-0.0498293,-0.1065441,0.1003615,-0.1259701,0.1124688,-0.2708742,-0.0 017417,-0.0583783,0.0749728,-0.0312986,-0.048653,-0.055224,-0.0428679, -0.0063639,0.129023,-0.0173846,0.0649516,-0.1228415,0.0487199,0.001906 7,0.0778575,-0.1263939,0.0918606,-0.0479926,0.1050158,-0.1001494,-0.03 95477,-0.1140129,-0.0100235,-0.0010868,0.0693898,-0.0577294,0.050749,- 0.2634383,0.119649,-0.1353344,0.1005703,-0.1750051,0.0544004,-0.07145, 0.0211601,0.0266402,-0.0551447,-0.0846971,0.1728327,0.0014243,-0.08064 85,-0.1005277,-0.0956409,-0.0082794,0.0863828,-0.1047727,0.0118687,-0. 0932622,-0.078158,-0.1159187,0.1047347,0.1630117,-0.1094729,-0.1559633 ,0.8015378,-0.2246635,-0.7037656,-0.2472351,0.2392578,0.296226,-0.5375 618,0.2093643,0.6603169,-0.1141722,-0.0597674,0.1466392,0.0173179,-0.0 887096,-0.1602107,-0.0788406,0.0121043,-0.028314,-0.0303316,-0.0314402 ,-0.0936344,-0.1091509,-0.0519263,0.0024557,0.0989271,-0.1114225,-0.00 1316,0.5015278,-0.2152078,-0.4070517,-0.204384,0.194871,0.1922528,-0.3 131092,0.1563244,0.4242351,-0.0265876,-0.0221451,-0.0334104,-0.0109535 ,0.0853074,0.0150573,-0.0285686,0.0205182,0.0995982,-0.0052665,0.00740 29,-0.0326176,0.0008376,0.1369814,0.0402713,-0.0340898,0.0334777,0.104 7196,0.3567314,0.1269998,-0.1329035,0.1030669,0.4089282,-0.1915638,-0. 0557351,-0.1111125,0.4109243,-0.010424,0.0561503,-0.0259918,0.0561307, 0.0125093,-0.0285484,0.0109951,-0.0249432,0.0302631,0.1314804,0.010307 1,-0.0005342,0.0018396,0.1524371,0.0461274,0.013876,0.0567447,0.000582 5,-0.0268171,0.0696799,0.0412086,0.0756171,0.0675364,-0.0179795,0.0253 785,-0.0216696,0.0932108,0.0808,0.0210967,0.0122739,0.0220149,0.105246 9,0.0123608,0.0117687,0.0176737,-0.0395863,0.0071379,0.0613727,0.01862 04,0.0580121,0.0859702,-0.0016942,0.0282784,-0.0082381,0.0627799,0.100 3684,-0.0133153,0.0430817,-0.009097,0.133267,-0.0282684,0.0170801,-0.0 002887,-0.0141055,0.0920683,0.0336375,-0.01354,0.0322016,0.1055221,-0. 0051269,-0.0154567,-0.0046322,0.1693823,0.0989163,0.0181391,0.0247202, 0.0158143,0.1072905,0.0407656,0.0239116,0.0372089,-0.0080869,0.0453123 ,0.0688345,-0.0086551,0.0684836,0.0691571,0.0327377,0.0031862,0.024009 3,0.0760238,-0.051369,-0.0188891,0.0201065,0.008609,-0.0065128,-0.0142 178,-0.0097671,0.0068835,0.1253393,0.0403622,0.0129109,-0.062071,-0.01 7546,0.0369941,-0.0281918,0.0301881,0.0700295,-0.0919148,0.0034454,0.0 97352,-0.0168348,0.034912,0.0452859,-0.0062368,-0.0397637,0.0234089,0. 0588224,-0.0584402,-0.1066769,0.0182961,-0.0800779,-0.0424028,0.015379 3,0.0396801,0.0000973,0.0760039,0.0791154,0.032583,0.0112381,0.0263207 ,0.0752221,-0.0297651,0.0087754,0.0470818,-0.1675185\Polar=277.291571, -48.1761971,215.1727654,28.2540018,-82.8314896,335.3386951\Quadrupole= 8.307996,-0.5981555,-7.7098406,-47.0906115,-45.2708455,0.5257452\PG=C0 1 [X(C22H17F2N5O1S1)]\NImag=0\\0.28751723,-0.08489387,0.09496578,0.011 65984,-0.07601474,0.25296402,0.00021545,0.00009460,-0.00019139,0.24097 292,-0.00010374,-0.00006602,0.00009884,-0.10273890,0.08701292,-0.00018 454,-0.00009613,0.00012286,-0.14654422,0.05120066,0.18387471,-0.000078 85,-0.00001771,0.00014643,-0.00399263,0.00122202,0.00322052,0.26817374 ,0.00002619,-0.00000097,-0.00005548,0.00113052,-0.00115032,-0.00174311 ,-0.10928402,0.08034539,0.00009384,0.00001119,-0.00014399,0.00274379,- 0.00159344,-0.00241525,-0.17125052,0.05832993,0.18951154,0.00019975,-0 .00002579,0.00018255,0.00108957,-0.00002074,-0.00088042,0.00049208,-0. 00017332,-0.00030168,0.29750146,-0.00077369,-0.00014726,-0.00005285,-0 .00000305,0.00053908,0.00036242,-0.00078238,0.00045595,0.00061801,-0.1 1217832,0.25967009,0.00097685,-0.00048031,-0.00043305,-0.00112638,0.00 034926,0.00171377,0.00105449,-0.00047850,-0.00065554,-0.04686400,-0.21 831957,0.52428487,0.00002585,0.00000194,-0.00000006,0.00036739,0.00015 029,-0.00016257,0.00021550,-0.00002248,-0.00023436,-0.00039951,0.00010 290,-0.00054224,0.69463647,-0.00011573,-0.00004643,0.00006480,-0.00020 589,0.00001539,0.00048797,0.00037235,-0.00010884,-0.00034644,0.0017362 7,0.00549521,0.00187312,0.16298590,0.65470519,-0.00019612,-0.00000974, 0.00015892,-0.00022261,0.00049225,0.00046167,-0.00005560,0.00001974,0. 00007272,0.00002116,0.00082666,0.00011575,0.05923142,-0.24927698,0.310 62685,0.00004293,0.00004189,-0.00002401,0.00055990,-0.00060927,-0.0005 5036,0.00002636,-0.00007671,0.00006974,-0.00115407,-0.00045973,-0.0008 1041,-0.23790078,0.05381809,-0.07960705,0.47966423,-0.00005014,0.00004 601,0.00004925,-0.00009553,0.00031913,-0.00014489,0.00005576,0.0000095 7,-0.00010412,-0.00309004,-0.00288347,-0.00209217,0.00676643,-0.103887 60,0.02039862,0.08510209,0.49322625,-0.00004478,-0.00002016,0.00000281 ,0.00010366,-0.00020369,0.00028256,-0.00001693,-0.00003375,0.00003292, -0.00143011,-0.00092692,-0.00040890,-0.04508788,0.03270146,-0.09972427 ,0.04347929,-0.21128302,0.24384119,-0.00000156,-0.00005218,0.00008695, 0.00042371,-0.00047570,-0.00097069,0.00057547,-0.00014520,-0.00044266, 0.00199403,-0.00066811,0.00015812,-0.04345817,-0.08847447,0.04090374,0 .02370858,0.04948433,-0.03284186,0.57052183,-0.00004442,0.00002040,0.0 0004390,-0.00027028,0.00025989,-0.00008290,0.00018328,-0.00004117,-0.0 0018935,-0.00054327,-0.00048037,-0.00053669,-0.01293176,-0.05115410,0. 03901533,-0.03443940,-0.05737824,0.04696895,0.09145770,0.43268662,0.00 000715,-0.00003326,-0.00001424,-0.00005666,-0.00025756,0.00003810,-0.0 0001027,-0.00005782,0.00000673,0.00094678,0.00043730,0.00083630,-0.008 20876,0.02204416,0.00813976,0.01825076,0.06730793,-0.00355967,0.061778 73,-0.17509481,0.22592053,-0.07766724,0.02306116,0.02696883,0.00042455 ,-0.00007895,-0.00011880,-0.00005206,0.00001034,0.00009501,0.00046787, -0.00479582,0.00792809,0.00003910,-0.00008546,0.00062057,0.00014854,-0 .00027239,0.00007311,-0.00009293,-0.00037452,0.00009919,0.49625180,0.0 4455766,0.00684158,0.00064006,-0.00019495,-0.00004603,0.00030531,-0.00 024512,0.00011721,0.00021872,-0.00430690,0.00045407,0.00505640,-0.0001 1216,-0.00021491,0.00046673,0.00018383,-0.00017823,0.00002637,-0.00035 709,-0.00028787,-0.00001335,-0.15006740,0.20804890,-0.03924619,0.02162 259,-0.00545532,0.00044727,0.00037190,-0.00037750,0.00029901,-0.000122 58,-0.00025440,0.00609485,0.00631579,-0.00683663,0.00018888,0.00000143 ,0.00072022,-0.00005923,0.00007268,0.00013355,0.00014562,-0.00005407,0 .00002816,0.06222991,-0.17611852,0.54365367,0.00001257,0.00016045,-0.0 0033270,0.00003083,0.00001413,-0.00004317,0.00006769,-0.00002344,-0.00 005755,0.00008955,0.00009169,-0.00008843,0.00006227,0.00004894,-0.0000 2167,-0.00002383,0.00003150,-0.00001941,0.00008439,0.00004670,-0.00000 168,-0.00006181,0.00016188,0.00001712,0.54492416,-0.00001829,-0.000097 15,0.00022104,-0.00001710,-0.00000628,0.00003305,-0.00004607,0.0000182 4,0.00004288,-0.00002796,-0.00004046,0.00007369,-0.00003761,-0.0000222 9,0.00001553,0.00001677,-0.00002295,0.00002789,-0.00002871,-0.00003352 ,0.00001384,0.00004278,-0.00009737,-0.00004389,-0.35881519,0.26509394, 0.00003121,0.00014618,-0.00031688,0.00001471,0.00001896,-0.00003289,0. 00005034,-0.00001578,-0.00004827,0.00004547,0.00009416,-0.00008544,0.0 0005565,0.00004418,-0.00001803,-0.00002749,0.00003657,-0.00001993,0.00 006053,0.00005007,-0.00000621,-0.00004999,0.00011598,0.00006835,0.5097 3262,-0.34768955,0.50963395,0.00004705,-0.00000546,-0.00004767,0.00021 157,-0.00003865,-0.00019719,-0.00019257,0.00009344,0.00014443,0.001127 30,-0.00001501,0.00040344,-0.11075174,-0.02971494,-0.01243800,-0.17271 199,-0.10787044,0.04132260,-0.16532737,0.06671328,-0.06194084,0.000103 25,0.00009510,-0.00002923,-0.00003715,0.00000903,-0.00002042,0.9045510 1,0.00002201,-0.00005098,0.00001243,-0.00012917,0.00003892,-0.00012865 ,-0.00003824,0.00002620,0.00002349,0.00189466,-0.00026844,0.00031770,- 0.07450202,-0.02876920,0.01090994,-0.13192585,-0.29124518,0.09502498,0 .06746952,-0.18033570,0.07663600,0.00006638,-0.00012549,0.00004976,0.0 0002254,0.00000422,0.00000804,0.12774122,0.53035042,0.00001653,0.00003 387,-0.00002232,0.00018068,-0.00010939,-0.00009074,-0.00009390,0.00003 053,0.00008207,-0.00116017,0.00007057,-0.00028469,0.01348839,0.0174995 1,0.00302923,0.05703682,0.10113981,-0.12755854,-0.06282480,0.07663672, -0.14307421,-0.00000998,0.00011257,-0.00005103,-0.00002395,-0.00000062 ,-0.00001111,0.11116037,-0.19388928,0.30586623,0.00002717,0.00002227,- 0.00003445,-0.00076232,0.00163755,0.00171908,-0.00051410,0.00014098,0. 00032256,-0.00042018,-0.00016779,-0.00024297,-0.10383797,0.01420206,-0 .02133866,-0.05747716,-0.00355725,-0.01713337,-0.35972095,-0.12214587, 0.00338945,-0.00019536,-0.00006607,-0.00018903,-0.00001155,0.00000704, -0.00001243,-0.09634856,0.05789305,-0.06212823,0.88426518,0.00001850,0 .00005265,-0.00008654,0.00161835,-0.00061142,-0.00002111,-0.00045158,0 .00008615,0.00043342,-0.00131023,0.00055226,-0.00018324,0.01186137,-0. 26365309,0.12050802,0.04846222,-0.04217334,0.05005023,-0.12844761,-0.1 5556848,0.01438981,0.00027640,0.00051572,-0.00011714,-0.00008128,0.000 03818,-0.00006886,-0.01159199,0.02841696,-0.01269244,-0.00689286,0.534 68180,0.00001398,-0.00001619,0.00006013,0.00013673,0.00093292,0.000321 42,0.00013186,-0.00000575,-0.00015320,0.00093774,-0.00002553,0.0000635 9,-0.01999286,0.12443880,-0.14146368,-0.04661263,0.03580077,-0.0158136 4,0.00528805,0.01590540,-0.08629647,-0.00007876,-0.00015140,0.00006031 ,0.00004320,-0.00002189,0.00003473,-0.01928781,0.00317997,0.00413618,0 .19083113,-0.23690958,0.33466377,-0.00002880,-0.00024785,-0.00035369,- 0.00077227,0.00085347,0.00243773,-0.00030882,0.00007197,0.00033510,-0. 01610934,0.03910673,0.01875106,-0.17378280,-0.06743742,0.00419510,-0.0 3215406,-0.02391109,0.00970683,0.00877040,0.00483109,-0.00207428,-0.00 005126,0.00015664,-0.00054293,-0.00006069,0.00002773,-0.00005008,-0.00 693216,0.00514930,-0.00542506,0.00388325,-0.00914695,0.00950936,0.6037 1759,0.00029195,0.00013472,-0.00020062,0.00153064,-0.00044515,-0.00150 875,-0.00056809,0.00009128,0.00082144,0.01824813,-0.02863003,-0.013128 38,-0.07198093,-0.16238343,0.03916617,0.00086747,0.00867158,-0.0104969 4,0.00003643,-0.00088950,0.00406387,-0.00055817,-0.00047905,0.00032547 ,-0.00006196,0.00002968,-0.00005172,0.00471074,0.00068921,0.00418000,- 0.02082060,-0.01461016,0.00037284,-0.05550619,0.51536737,0.00015253,0. 00034652,-0.00016302,-0.00270669,0.00018956,-0.00398154,0.00024000,0.0 0003351,-0.00034203,0.00054015,0.00207115,0.00429466,0.01124463,0.0415 1895,-0.07816636,-0.00148212,-0.01320644,-0.00073222,-0.00339841,0.007 76509,0.00255153,-0.00123469,-0.00168853,-0.00062039,0.00003464,-0.000 02788,0.00003046,-0.00541063,-0.00075396,0.00238760,0.01885507,0.00507 178,-0.00630107,0.02914177,-0.08526593,0.56125817,0.00121580,-0.000641 42,-0.00122086,-0.00099191,-0.00325568,0.00173034,-0.00055608,-0.00030 900,0.00146594,-0.18264749,0.08745013,-0.02195520,-0.00483310,-0.03008 639,-0.01628339,0.00357778,0.00079084,-0.00074172,-0.00515581,0.000388 34,-0.00074322,-0.00601475,0.00107263,0.00019221,-0.00006975,0.0000250 2,-0.00004074,-0.00134461,-0.00407537,0.00321063,0.00133003,0.00320090 ,-0.00363062,-0.07070670,0.00300371,0.00281127,0.47000337,0.00061160,- 0.00041541,-0.00058697,-0.00444294,-0.00060017,-0.00221191,0.00110955, -0.00025886,-0.00184941,0.07161243,-0.12520912,0.03149391,-0.01320193, -0.02818853,-0.01054462,0.00125696,-0.00025685,-0.00090992,0.00076447, 0.00108870,0.00090361,0.00124770,0.00221574,-0.00443173,-0.00009212,0. 00004794,-0.00009429,0.00038995,0.00030311,-0.00034294,-0.00000940,-0. 00093872,-0.00201354,-0.00341590,-0.10714534,-0.04114081,-0.03958488,0 .47638230,0.00004960,0.00168661,-0.00264732,0.00374524,-0.00352492,-0. 00308962,-0.00153683,0.00064810,0.00100928,0.00746807,0.01113950,-0.09 577381,-0.00712014,0.00078524,0.00784132,-0.00073972,0.00032649,-0.000 25485,0.00278668,0.00086867,-0.00125628,-0.00114383,-0.00234368,0.0031 8045,0.00000238,-0.00001200,0.00000825,0.00018903,0.00149684,-0.000608 76,0.00062903,-0.00066366,0.00074067,-0.00328561,-0.03213772,-0.120940 64,-0.00101595,-0.03091884,0.52222680,-0.00280940,-0.00614929,0.020234 87,-0.00243420,-0.00156489,0.00268213,0.00003679,0.00004920,-0.0000873 3,-0.04810943,-0.00019091,-0.00303758,0.00119965,0.00209361,0.00081011 ,-0.00057150,-0.00007563,-0.00012155,0.00071767,0.00016244,0.00004904, 0.00635871,0.00540251,-0.02926222,0.00001496,-0.00001194,0.00000910,0. 00008099,0.00049943,-0.00035735,-0.00009347,-0.00063649,0.00042819,-0. 00177470,-0.00916563,-0.00279425,-0.10218631,-0.02549303,0.00244392,0. 52321399,0.00092217,0.00045972,-0.00327727,0.00087265,-0.00066491,-0.0 0030687,0.00019623,-0.00004198,-0.00013520,0.02400292,0.00844677,-0.00 181578,-0.00065711,-0.00393672,-0.00337543,0.00088215,-0.00032449,-0.0 0014250,-0.00118044,-0.00011811,0.00002207,-0.00209151,-0.01007042,0.0 1701509,-0.00004354,0.00002455,-0.00003917,-0.00023306,-0.00080039,0.0 0060377,0.00014781,0.00102507,-0.00099717,-0.02170083,-0.01733493,0.00 184987,-0.03112557,-0.09569812,0.00535510,-0.09768934,0.50352326,0.004 06597,0.00079663,-0.00854048,-0.00042362,0.00164602,0.00112289,0.00029 972,-0.00005322,-0.00043767,-0.00815102,-0.00223331,0.00379793,-0.0009 1021,-0.00372141,-0.00299189,0.00086395,-0.00019345,0.00001685,-0.0013 0909,-0.00016855,0.00020661,-0.00795287,0.00926732,-0.02069885,0.00003 019,-0.00001953,0.00002574,-0.00026248,-0.00086208,0.00054071,0.000191 31,0.00090561,-0.00110256,-0.01493752,-0.01175083,0.00414985,0.0033033 9,0.00540471,-0.07510621,0.03264540,-0.03385589,0.49123832,-0.00038332 ,0.00028918,0.00103040,0.00070200,0.00028411,-0.00071927,-0.00007814,0 .00002429,0.00012457,0.00172524,-0.00028774,-0.00031565,-0.00046298,-0 .00226488,-0.00113703,0.00058791,-0.00005267,-0.00001487,-0.00075294,- 0.00015503,0.00005297,0.00003307,0.00120969,-0.00066451,0.00002657,-0. 00001384,0.00002711,-0.00004081,-0.00047063,0.00034309,0.00008102,0.00 065285,-0.00064502,-0.00463167,-0.00106177,0.00240490,-0.00157383,-0.0 2712139,-0.01752562,-0.07672650,0.00645057,0.00142228,0.59947233,-0.00 172349,0.00011732,0.00128645,0.00002164,-0.00006065,0.00024890,-0.0000 7513,0.00002463,0.00007197,0.00225442,-0.00247769,-0.00038641,-0.00024 583,-0.00061672,-0.00060992,0.00023547,-0.00012339,-0.00004829,-0.0002 6112,-0.00004095,0.00000821,0.00213858,-0.00091615,0.00214116,0.000067 16,-0.00004630,0.00005931,-0.00004200,-0.00015542,0.00011858,0.0000823 4,0.00025392,-0.00027394,-0.00213582,-0.00012284,0.00128925,-0.0085113 9,-0.02047323,-0.01127201,0.00512919,-0.14754127,-0.04784622,0.0054150 3,0.51385249,-0.00040938,-0.00068124,-0.00060449,0.00062547,0.00012471 ,-0.00070564,-0.00004390,0.00001135,0.00002343,0.00127664,-0.00060256, 0.00084617,0.00055163,0.00071022,0.00057651,-0.00022755,0.00012503,-0. 00004607,0.00042180,0.00011540,-0.00004670,0.00096062,-0.00242431,0.00 208803,-0.00004367,0.00002593,-0.00003757,0.00005162,0.00023338,-0.000 14157,-0.00009295,-0.00035764,0.00027546,0.00131374,0.00081120,-0.0004 5965,-0.00541387,-0.00055499,0.00382504,0.00152671,-0.05570212,-0.1115 2467,0.00139932,-0.06248772,0.55381328,-0.10248412,0.00019915,0.060992 40,0.00055970,0.00063891,-0.00104112,0.00022700,-0.00009110,-0.0002097 1,0.00276439,0.00307410,-0.00384007,0.00021817,0.00082904,-0.00011763, -0.00034442,0.00036168,-0.00008707,0.00050464,0.00048366,-0.00009959,- 0.28244313,0.11956364,-0.13501021,-0.00030894,0.00022516,-0.00029075,- 0.00011433,0.00015112,-0.00015070,0.00012644,-0.00061615,0.00033734,-0 .00046471,-0.00139105,0.00121086,-0.00379558,-0.01271296,0.03070703,-0 .08362250,0.00205557,0.01895764,0.00030672,0.00125886,0.00054738,0.490 58922,0.00494176,-0.03884213,-0.00900116,-0.00008926,-0.00025727,0.000 01387,-0.00012154,0.00005700,0.00016111,0.00249745,-0.00218345,0.00116 465,0.00045367,-0.00004160,0.00092390,-0.00002063,0.00006515,-0.000072 86,0.00008788,-0.00012234,-0.00001366,0.12128788,-0.13305849,0.0914672 0,0.00007448,-0.00004729,0.00008439,0.00008094,0.00008828,-0.00003411, -0.00013919,-0.00006103,0.00009549,-0.00279759,-0.00246406,0.00024809, -0.00787765,-0.00737789,0.01753171,0.00360039,-0.07411848,0.04054730,0 .00160284,0.00996395,-0.02274811,-0.13078222,0.26443418,0.04287042,-0. 00248369,-0.07306815,-0.00030553,-0.00088610,0.00042927,-0.00051777,0. 00018846,0.00048974,-0.00567603,0.00346927,-0.00443959,-0.00045003,-0. 00150248,-0.00107113,0.00033934,-0.00004761,-0.00004130,-0.00061240,-0 .00006260,-0.00001142,-0.13883388,0.09447280,-0.20283583,0.00006383,-0 .00002271,0.00001864,-0.00002844,-0.00033013,0.00023813,0.00019908,0.0 0049201,-0.00045644,-0.00081019,0.00035942,0.00245508,0.01994127,0.008 00086,-0.00781772,0.01582394,0.04318198,-0.19505457,0.00241454,-0.0060 6289,-0.03317658,0.07242664,-0.18927309,0.63901905,-0.06636889,0.03263 757,-0.06344438,-0.00004439,-0.00001290,0.00003994,-0.00003061,0.00001 647,0.00002681,0.00013294,-0.00082589,0.00099776,0.00001957,0.00008113 ,-0.00007895,-0.00002265,-0.00003820,-0.00001184,0.00000580,-0.0000049 6,0.00001855,-0.02721376,-0.01422320,0.07557992,0.00038561,-0.00025177 ,0.00035250,0.00001174,0.00002212,-0.00001796,0.00000842,-0.00000138,- 0.00000326,0.00023404,-0.00032731,0.00008463,-0.00122008,0.00105474,0. 00017942,-0.00446748,-0.00025637,0.00161909,-0.00014045,0.00054302,-0. 00065188,-0.01727696,0.00881891,0.00306105,0.64180760,0.02524670,-0.06 067983,0.05926515,0.00001447,-0.00003485,0.00003046,-0.00005022,0.0000 1671,0.00005312,-0.00004323,-0.00013380,-0.00002630,-0.00008612,-0.000 02042,-0.00004194,0.00001708,-0.00001837,0.00004349,-0.00004171,-0.000 02515,0.00001369,0.00539621,0.01309223,-0.00910174,-0.00017521,0.00009 538,-0.00015823,0.00000611,-0.00000631,0.00000343,0.00002140,0.0000393 6,-0.00004183,0.00014253,0.00017598,0.00009713,0.00049781,-0.00038253, 0.00029089,0.00134806,0.00226662,-0.00003146,-0.00059081,-0.00093993,0 .00095690,-0.00168741,0.00324108,0.01719046,-0.10405564,0.16318809,-0. 04162543,0.05192016,-0.14409518,-0.00035350,0.00031853,0.00019500,0.00 017770,-0.00004971,-0.00018770,0.00092270,0.00101303,-0.00072133,0.000 08780,0.00042229,-0.00004558,-0.00018625,0.00007572,0.00002538,0.00022 993,0.00015300,0.00001875,0.02036800,0.00927861,-0.03472804,-0.0000409 7,0.00005871,-0.00005305,-0.00003201,0.00010897,-0.00010271,0.00002189 ,-0.00028015,0.00013202,0.00025930,-0.00053577,0.00008541,-0.00119199, -0.00090564,-0.00114426,0.00344518,-0.00191420,0.00087384,0.00010323,0 .00201814,-0.00140214,0.03151761,0.00872586,-0.04320500,-0.19963145,-0 .11863494,0.59543734,-0.04572265,0.03204637,-0.04223888,0.00023508,-0. 00011017,-0.00015280,-0.00011967,0.00003005,0.00012037,-0.00133034,-0. 00159151,0.00184335,-0.00010149,-0.00018420,0.00000936,0.00011683,-0.0 0001256,-0.00001959,-0.00017360,-0.00005204,-0.00001777,-0.11117619,-0 .00575301,0.06024273,-0.00053054,0.00049348,-0.00058228,0.00001318,-0. 00009549,0.00006921,0.00001431,0.00017370,-0.00010376,0.00015621,0.000 49158,0.00011206,-0.00035047,0.00043340,0.00047832,-0.00316734,0.00544 386,-0.00240669,-0.00023075,-0.00097323,0.00157976,0.00813386,0.001394 83,-0.00952013,-0.36662381,0.07295721,0.06742039,0.69628409,0.01296572 ,-0.00369372,0.01992569,-0.00001206,0.00002796,-0.00005568,0.00009886, -0.00003982,-0.00009568,0.00058012,0.00075293,-0.00090427,0.00005227,0 .00005871,-0.00019976,-0.00004773,0.00007094,-0.00004240,0.00013121,0. 00011888,-0.00001498,-0.00567730,-0.08080790,0.03561140,0.00028221,0.0 0002749,0.00021671,-0.00004746,0.00003262,-0.00003119,0.00002789,-0.00 016051,0.00007699,-0.00005600,-0.00017186,0.00030361,0.00036023,-0.000 23148,-0.00018676,0.00339856,0.00433067,0.00090540,-0.00003656,0.00014 235,0.00088205,0.01808507,-0.01031580,0.03172079,0.08377794,-0.0846642 7,-0.00810180,-0.17895587,0.26870982,0.01389161,0.00168884,-0.01085907 ,0.00009882,0.00002730,-0.00000080,-0.00010034,0.00003911,0.00009549,0 .00028517,-0.00242874,0.00343550,0.00003261,-0.00012109,0.00027336,0.0 0008348,-0.00014438,-0.00000956,-0.00018242,-0.00020493,0.00002275,0.0 5785542,0.03590651,-0.23580011,-0.00012406,0.00014965,-0.00012677,0.00 009584,-0.00003355,0.00004991,-0.00007529,0.00026934,-0.00008456,0.000 03548,-0.00022346,-0.00090021,-0.00206494,0.00185017,-0.00198343,-0.00 205137,0.00075707,0.00405642,0.00044082,0.00030429,-0.00065048,-0.0548 3676,0.04654918,-0.07424986,0.04360748,-0.00004734,-0.10191142,-0.0072 0584,-0.13636979,0.58895433,0.00001041,-0.00027815,0.00051454,-0.00003 039,-0.00001878,0.00004765,-0.00007362,0.00002521,0.00006478,-0.000089 83,-0.00010995,0.00010450,-0.00007023,-0.00005572,0.00002421,0.0000296 3,-0.00003896,0.00002324,-0.00008946,-0.00005620,0.00000387,0.00007525 ,-0.00016156,-0.00022328,-0.54770604,0.34830436,-0.49417802,0.00003531 ,-0.00002157,0.00002318,0.00001344,0.00009097,-0.00004778,0.00006774,0 .00006788,-0.00003895,0.00007149,0.00011125,-0.00000846,-0.00000848,0. 00006865,-0.00003045,-0.00003378,-0.00007783,0.00005319,0.00046256,-0. 00012321,-0.00010329,-0.00080747,0.00036980,0.00004405,0.00107024,-0.0 0102171,0.00037077,0.74125394,0.00009538,0.00010030,-0.00032157,0.0000 1881,0.00001011,-0.00003557,0.00005192,-0.00001938,-0.00004758,0.00004 601,0.00005262,-0.00008143,0.00004750,0.00003175,-0.00001792,-0.000020 57,0.00002796,-0.00002815,0.00004402,0.00004095,-0.00001139,0.00005497 ,0.00010542,0.00031364,0.34825204,-0.27600180,0.33723518,-0.00001666,0 .00000117,-0.00000503,-0.00000904,-0.00005176,0.00002833,-0.00003787,- 0.00004194,0.00003164,-0.00004177,-0.00006039,0.00000650,0.00002215,-0 .00002620,0.00003008,0.00001693,0.00005801,-0.00003282,-0.00047693,0.0 0008213,-0.00002347,0.00050262,-0.00010370,-0.00018013,-0.00142128,-0. 00046588,-0.00056856,-0.44206832,0.38854127,-0.00019714,-0.00019489,0. 00047580,-0.00003040,-0.00001526,0.00004657,-0.00006567,0.00002308,0.0 0005828,-0.00011494,-0.00005411,0.00008214,-0.00006226,-0.00005024,0.0 0002510,0.00002773,-0.00003273,0.00002551,-0.00007638,-0.00005045,0.00 000497,-0.00010188,0.00002193,-0.00032564,-0.49412526,0.33724124,-0.51 377163,0.00002704,-0.00001681,0.00001781,0.00001245,0.00008005,-0.0000 4263,0.00005473,0.00006302,-0.00003681,0.00010915,0.00006888,0.0000055 1,-0.00002401,0.00007085,-0.00003400,-0.00002413,-0.00008499,0.0000546 6,0.00056842,-0.00021687,0.00007888,-0.00070059,0.00033708,0.00007563, 0.00118200,-0.00060634,0.00053376,0.60589098,-0.41769003,0.70511442,-0 .00344447,0.00203176,0.00333508,-0.00008604,-0.00006925,0.00011481,-0. 00016237,0.00006008,0.00013726,-0.00065753,-0.00001919,0.00009709,-0.0 0010262,-0.00017987,0.00007995,0.00008369,-0.00002517,0.00000846,-0.00 023574,-0.00007868,-0.00002617,0.01070050,-0.00349753,-0.00260286,0.00 130248,-0.00073562,0.00070044,0.00003135,-0.00011752,0.00008493,0.0000 1748,0.00022853,-0.00012595,0.00009835,0.00020470,-0.00004854,0.000735 57,0.00014819,0.00005450,0.00077773,0.00021964,0.00018824,-0.00002693, -0.00047824,0.00028293,0.00292386,-0.00198949,0.00507658,-0.02634687,0 .01758185,-0.01986717,-0.15809340,0.05567437,-0.05961226,-0.00304933,0 .00121145,-0.00050934,0.56973011,0.00267291,0.00538628,-0.00005216,0.0 0005993,0.00001189,-0.00007825,0.00008543,-0.00003299,-0.00007239,0.00 027728,-0.00004740,-0.00001081,0.00007259,0.00006898,-0.00004806,-0.00 003426,0.00002362,-0.00002377,0.00011750,0.00004828,0.00000767,0.00346 926,-0.00558136,0.01228374,-0.00063885,0.00061513,-0.00047566,-0.00001 970,0.00005207,-0.00003794,-0.00001039,-0.00011813,0.00006500,-0.00009 727,-0.00010346,0.00003908,-0.00036247,0.00010093,-0.00021331,0.000340 56,0.00070330,0.00018974,0.00010126,0.00006010,0.00008471,-0.00236039, 0.00347425,-0.00011225,0.01261001,-0.00150887,0.00516118,0.05259105,-0 .09642326,0.04594001,0.00100440,-0.00185039,0.00046047,-0.21131838,0.2 7815971,0.00148992,0.00036080,0.00434762,-0.00007695,-0.00000110,0.000 08049,-0.00010333,0.00003910,0.00008439,-0.00053785,0.00015356,0.00005 276,-0.00008443,-0.00009434,0.00006696,0.00004717,-0.00001989,0.000018 43,-0.00015136,-0.00005357,-0.00001533,-0.02380104,0.01852973,-0.03580 320,0.00067178,-0.00053115,0.00135947,0.00001958,-0.00007262,0.0000505 8,0.00001776,0.00014489,-0.00007903,0.00011102,0.00013057,-0.00005815, 0.00044263,-0.00009032,0.00020835,-0.00128191,0.00121654,-0.00020481,- 0.00001227,-0.00025707,0.00031295,0.00782713,-0.00100931,-0.00318434,- 0.00645733,0.00160980,0.00969372,-0.04879291,0.04195747,-0.15156607,-0 .00049929,0.00061977,-0.00344075,-0.04522651,-0.05220056,0.68997908,0. 00015335,0.00045080,-0.00046660,0.00003036,0.00003299,-0.00004296,0.00 006272,-0.00002208,-0.00005451,0.00023873,0.00007435,-0.00010045,0.000 04961,0.00007044,-0.00001851,-0.00003393,0.00002422,-0.00000814,0.0000 8219,0.00004202,0.00000583,-0.00328417,0.00250251,-0.00189357,-0.00060 294,-0.00011376,-0.00171462,-0.00001127,0.00003397,-0.00002661,-0.0000 1038,-0.00008422,0.00004388,-0.00004671,-0.00006234,0.00001243,-0.0002 1761,-0.00013486,0.00003827,-0.00039831,-0.00000359,-0.00000242,0.0000 3517,0.00014037,-0.00008900,-0.00018195,0.00092750,-0.00128849,0.00001 391,0.00064141,-0.00208338,0.00876629,0.00028046,-0.02320196,-0.001031 37,0.00406879,0.00502705,-0.12075140,0.02034383,0.07320719,0.61290709, -0.00024520,-0.00051878,0.00040264,-0.00002246,-0.00001567,0.00003985, -0.00004680,0.00001791,0.00004248,-0.00013490,-0.00000903,0.00008011,- 0.00004276,-0.00003614,0.00002193,0.00002084,-0.00001999,0.00002785,-0 .00004786,-0.00003746,0.00000645,0.00265435,0.00062574,0.00161496,-0.0 0004643,-0.00132381,0.00101106,0.00001180,-0.00000943,0.00000927,0.000 00544,0.00005559,-0.00003165,0.00002916,0.00005760,-0.00003361,0.00012 818,0.00002123,0.00001606,0.00017830,-0.00022433,-0.00005333,-0.000024 03,-0.00006848,-0.00001229,0.00059620,-0.00054573,0.00097381,-0.001390 75,0.00077981,0.00113767,-0.00047552,0.00146251,0.01730365,0.00369755, 0.00583187,-0.00245758,0.02800943,-0.07863727,-0.00918969,-0.26765181, 0.28853084,0.00241908,-0.00049544,-0.00043784,0.00003228,0.00003105,-0 .00004494,0.00007218,-0.00002445,-0.00006503,0.00021713,0.00002567,0.0 0000373,0.00005702,0.00008063,-0.00002512,-0.00004466,0.00002159,0.000 00138,0.00009988,0.00003853,0.00000821,-0.00049204,-0.00115775,0.00423 491,-0.00176115,0.00093586,-0.00116828,-0.00001112,0.00004238,-0.00003 095,-0.00001716,-0.00009853,0.00005261,-0.00005240,-0.00008108,-0.0000 1816,-0.00030870,-0.00005411,-0.00012281,0.00006068,-0.00013561,0.0001 0010,0.00005328,0.00019191,-0.00013470,-0.00226749,0.00179831,-0.00186 902,0.00360186,-0.00194552,-0.00079272,-0.01056093,0.00957469,-0.02872 575,0.00703511,-0.00333118,0.00428934,0.01938847,0.02238688,-0.3194876 6,-0.03328805,-0.05017031,0.69039873,-0.00089364,-0.00002117,0.0001189 6,-0.00000250,-0.00001314,0.00001231,-0.00002321,0.00000741,0.00002250 ,-0.00003377,-0.00001625,-0.00000408,-0.00002538,-0.00002493,0.0000068 6,0.00001561,-0.00001261,0.00000800,-0.00002692,-0.00001900,0.00000174 ,-0.00021147,0.00059336,-0.00155206,0.00600394,-0.00325875,0.00523215, 0.00000582,-0.00000566,0.00000584,0.00000536,0.00003025,-0.00001636,0. 00001371,0.00003223,-0.00000097,0.00008992,0.00001473,0.00002090,0.000 06269,0.00008104,0.00003273,-0.00003045,-0.00007662,0.00005733,0.00117 593,-0.00108339,0.00057147,-0.00122876,0.00040766,0.00138653,0.0055295 2,0.00034945,0.00586699,-0.03200376,0.01948590,-0.00920397,0.04146141, -0.01173494,-0.05864824,-0.21513866,0.09459961,-0.06423004,0.56213439, 0.00042435,0.00016659,-0.00000885,0.00000230,0.00000816,-0.00000515,0. 00001007,-0.00000268,-0.00000922,0.00002599,0.00001856,-0.00000888,0.0 0001289,0.00001719,-0.00000437,-0.00000890,0.00000713,0.00000039,0.000 01864,0.00001016,0.00000230,0.00004823,0.00046419,0.00051317,-0.002545 02,0.00303712,-0.00210644,-0.00000405,0.00000718,-0.00000642,-0.000002 77,-0.00001892,0.00000909,-0.00000618,-0.00001914,0.00000135,-0.000047 39,-0.00002220,0.00001339,-0.00009999,-0.00018319,-0.00006807,0.000013 17,0.00005203,-0.00005480,-0.00035095,0.00028546,-0.00039757,0.0005411 3,-0.00052016,-0.00030387,0.00057351,0.00555354,-0.00163637,0.02126263 ,-0.01092820,0.00374858,-0.01882448,0.01061087,0.03813532,0.10310048,- 0.12284117,0.05663642,-0.23339553,0.27003824,-0.00085865,-0.00002327,0 .00040765,-0.00001797,0.00000155,0.00002086,-0.00002085,0.00000847,0.0 0001698,-0.00011456,0.00008354,-0.00003187,-0.00001772,-0.00001541,0.0 0001563,0.00000885,0.00000068,0.00001600,-0.00002529,-0.00001126,-0.00 000036,-0.00183409,0.00113068,-0.00213645,-0.00010226,0.00088457,-0.00 462611,0.00000167,-0.00000933,0.00000575,0.00000380,0.00002677,-0.0000 1675,0.00001148,0.00002817,-0.00000988,0.00014008,-0.00006656,0.000062 70,-0.00020166,0.00014434,-0.00004882,-0.00000485,-0.00005023,0.000052 16,0.00135495,-0.00040927,0.00005375,-0.00002320,0.00029582,0.00053139 ,0.00613234,-0.00166047,-0.00263246,-0.02260441,0.01088268,0.01168223, -0.01396211,0.01379626,-0.04163926,-0.12633523,0.09079544,-0.22398072, -0.02834333,-0.06526507,0.76415686,0.00073499,0.00029463,-0.00052727,0 .00002926,0.00001644,-0.00003913,0.00005795,-0.00002134,-0.00004955,0. 00014951,0.00004473,-0.00004873,0.00004352,0.00005247,-0.00002385,-0.0 0002748,0.00001723,-0.00000688,0.00007725,0.00003215,0.00000518,0.0004 4031,-0.00024695,0.00122241,0.00092841,0.01132115,-0.01854352,-0.00001 328,0.00003402,-0.00002546,-0.00000866,-0.00007667,0.00004134,-0.00004 988,-0.00006025,0.00001368,-0.00016257,-0.00005719,-0.00003767,0.00004 161,-0.00014541,0.00003989,0.00003794,0.00011420,-0.00008506,-0.001334 92,0.00064016,-0.00024913,0.00072008,-0.00054027,-0.00074407,-0.003409 41,0.00100605,-0.00134106,-0.16882246,0.07175434,-0.08469384,-0.022997 09,0.00433010,0.03485205,-0.03940355,0.03203905,-0.04303099,-0.2489687 6,0.08926169,0.09998400,0.56101315,-0.00039697,-0.00009735,0.00047538, -0.00002165,-0.00001117,0.00002627,-0.00003872,0.00001393,0.00003228,- 0.00012175,-0.00003198,0.00003500,-0.00002844,-0.00003733,0.00001635,0 .00001830,-0.00000953,0.00000149,-0.00005634,-0.00002007,-0.00000598,- 0.00032564,-0.00000030,-0.00084052,0.01142704,0.00913380,0.01212337,0. 00001025,-0.00002647,0.00001976,0.00000591,0.00005380,-0.00002889,0.00 003461,0.00004191,-0.00000758,0.00011519,0.00003781,0.00002309,-0.0000 2907,0.00008706,-0.00003231,-0.00002506,-0.00006939,0.00005310,0.00084 513,-0.00036609,0.00017133,-0.00059893,0.00025894,0.00026318,0.0016975 0,-0.00141560,0.00080590,0.07164882,-0.10667950,0.06112867,0.00438961, -0.00724714,-0.01494836,0.02529470,-0.01005020,0.01760086,0.09552545,- 0.10864192,-0.04330217,-0.22870303,0.27245120,-0.00039692,0.00042896,- 0.00105577,0.00004491,0.00000991,-0.00005136,0.00006811,-0.00002621,-0 .00005531,0.00019716,0.00005342,-0.00009688,0.00004465,0.00005056,-0.0 0002959,-0.00002198,0.00001535,-0.00000815,0.00009329,0.00003227,0.000 00752,-0.00020279,0.00051455,-0.00002236,-0.01868264,0.01214649,0.0030 4335,-0.00002277,0.00004408,-0.00003336,-0.00000629,-0.00008774,0.0000 4831,-0.00006551,-0.00005827,0.00003184,-0.00013281,-0.00007785,-0.000 01213,0.00007797,-0.00000011,0.00007572,0.00001381,0.00007179,-0.00003 789,-0.00064188,-0.00023919,0.00034962,0.00185501,-0.00070616,0.000766 27,-0.00145353,0.00079314,-0.00115103,-0.08447042,0.06098595,-0.167464 67,0.03402057,-0.01398952,-0.03984318,0.00145647,-0.00745527,0.0568559 0,0.04870721,-0.01517561,-0.15226006,-0.02151571,-0.06115162,0.6772352 8,-0.00001945,-0.00055603,0.00027566,-0.00002037,-0.00000521,0.0000337 6,-0.00005897,0.00002393,0.00004827,0.00000674,-0.00011162,0.00011899, -0.00004713,-0.00002374,0.00001367,0.00001055,-0.00002688,0.00002958,- 0.00004830,-0.00003857,0.00001045,0.00056977,-0.00098988,0.00006502,-0 .00255690,0.00195079,0.00133186,0.00002795,-0.00000695,0.00001113,0.00 000526,0.00004937,-0.00002789,0.00004933,0.00003798,-0.00004067,-0.000 04711,0.00009406,-0.00002689,-0.00003435,-0.00001953,-0.00002600,-0.00 001826,-0.00002579,0.00001250,0.00045126,0.00039155,-0.00034522,-0.001 38242,0.00083556,-0.00104103,0.00011938,0.00286076,0.00514675,0.004454 73,0.00227083,-0.02884723,-0.04005835,0.02472418,0.00085265,-0.0069575 4,0.00247607,-0.01644964,0.00975972,-0.00461448,0.03227612,-0.11729811 ,0.01969548,0.07794157,0.62626255,-0.00030758,-0.00024519,-0.00078861, 0.00002126,0.00000381,-0.00002199,0.00003351,-0.00001246,-0.00002466,0 .00007488,0.00003744,-0.00002532,0.00002290,0.00002173,-0.00001060,-0. 00000618,0.00000620,-0.00000727,0.00004687,0.00001347,0.00000439,-0.00 048137,0.00034340,-0.00010914,0.00120713,0.00087817,-0.00138552,-0.000 01840,0.00002270,-0.00001886,-0.00000208,-0.00004014,0.00002332,-0.000 02887,-0.00002512,0.00001127,-0.00004277,-0.00003980,0.00000438,0.0000 1425,-0.00003256,0.00000730,0.00000922,0.00001554,-0.00001907,-0.00008 300,0.00006922,0.00033583,0.00161620,-0.00075645,0.00110073,0.00221101 ,0.00562248,-0.00206970,0.00041058,-0.00172673,0.02053133,0.03050548,- 0.00994701,-0.00749327,0.00272854,-0.00981031,0.01577395,-0.00986238,0 .01663703,-0.01514818,0.02622875,-0.07566729,-0.00716717,-0.26327968,0 .28523911,0.00046204,-0.00022820,0.00094011,-0.00003004,0.00000506,0.0 0002976,-0.00002018,0.00000937,0.00001504,-0.00019137,0.00012886,0.000 01812,-0.00001611,-0.00001526,0.00001866,0.00000334,-0.00000295,0.0000 1419,-0.00002692,-0.00001271,-0.00000075,-0.00074856,0.00045982,-0.000 68460,0.00671764,-0.00438239,0.00608236,0.00000746,-0.00001113,0.00000 820,0.00000161,0.00002589,-0.00001477,0.00000943,0.00002490,-0.0000314 7,0.00015992,-0.00006025,0.00001827,-0.00005780,-0.00002542,-0.0000409 1,0.00003485,-0.00004689,0.00001055,0.00047100,0.00016013,0.00005811,- 0.00216182,0.00056558,-0.00009930,0.00659395,-0.00265067,0.00007747,-0 .01557584,0.01347375,-0.03361218,-0.04278232,0.01591370,0.06127669,-0. 01847199,0.01771288,-0.05857987,0.07407057,-0.03843783,-0.00903010,0.0 2668886,0.02086408,-0.32024892,-0.04266475,-0.05117171,0.68576435,-0.0 0095639,0.00035132,-0.00180044,0.00005714,0.00002114,-0.00006091,0.000 09296,-0.00003373,-0.00007528,0.00029782,0.00014740,-0.00013945,0.0000 5543,0.00008045,-0.00003177,-0.00003671,0.00001347,-0.00000029,0.00012 995,0.00003416,0.00001544,-0.00132874,0.00110191,0.00315136,-0.0015865 2,0.00044039,-0.00155926,-0.00002395,0.00006641,-0.00004808,-0.0000128 5,-0.00011826,0.00006583,-0.00009145,-0.00007177,0.00000315,-0.0002049 6,-0.00014559,-0.00003285,0.00016087,-0.00004692,0.00008570,0.00005256 ,0.00010389,-0.00007574,-0.00179254,-0.00010825,0.00099777,0.00572521, -0.00051320,-0.00071623,-0.02969493,0.01846780,-0.00410323,0.00637842, -0.00024409,0.00571785,-0.25165167,0.09481279,0.04283656,0.00983875,-0 .01078663,0.07033994,-0.05200126,0.02653742,-0.00878574,0.03961867,-0. 01061139,-0.05724069,-0.21597073,0.09372921,-0.06222357,0.56795378,0.0 0097629,-0.00026822,0.00103496,-0.00003451,-0.00000242,0.00004945,-0.0 0006382,0.00002714,0.00005531,-0.00000505,-0.00002106,0.00009337,-0.00 005653,-0.00002892,0.00002221,0.00001897,-0.00003317,0.00002787,-0.000 05306,-0.00004712,0.00001318,0.00201614,-0.00098755,-0.00090574,0.0003 1544,-0.00155421,0.00059815,0.00002333,-0.00000439,0.00000795,0.000009 77,0.00005880,-0.00003109,0.00004609,0.00004650,-0.00004400,0.00000193 ,0.00009930,-0.00001501,-0.00011694,-0.00001526,-0.00005959,0.00001441 ,-0.00007241,0.00001420,0.00059762,0.00000477,-0.00099552,-0.00213167, 0.00142627,0.00111330,0.01981256,-0.00581814,-0.00018190,0.00036417,0. 00786667,-0.00122892,0.08823577,-0.11317844,-0.00918125,-0.00544922,0. 01601759,-0.03739794,0.02663577,-0.02177615,0.00447562,-0.01658229,0.0 1101513,0.03743643,0.10205107,-0.12379143,0.05543119,-0.23275819,0.271 10093,-0.00116450,0.00060862,-0.00172822,0.00008711,-0.00002183,-0.000 06840,0.00002766,-0.00001723,-0.00001176,0.00070325,-0.00050409,0.0000 5046,0.00000162,0.00003015,-0.00004642,-0.00000247,-0.00004178,-0.0000 2533,0.00004711,-0.00000875,0.00001569,-0.00002955,0.00035559,-0.00086 562,-0.00159540,0.00069482,0.00011114,0.00001172,0.00003944,-0.0000201 8,-0.00000028,-0.00003765,0.00002674,0.00002178,-0.00005029,0.00003944 ,-0.00061451,0.00026344,-0.00009917,0.00018973,-0.00013650,0.00015555, -0.00007684,0.00013580,-0.00007013,-0.00140251,0.00029792,0.00030207,- 0.00088220,0.00171934,-0.00333239,-0.02115822,0.00928755,0.01538794,0. 00383435,-0.00034696,-0.00522394,0.09786235,-0.04022069,-0.15564923,0. 03253507,-0.01648775,-0.00707736,-0.01082604,0.00555885,-0.00233337,-0 .01273588,0.01348067,-0.04180493,-0.12413106,0.08906508,-0.22163411,-0 .02401161,-0.06832158,0.76137752,-0.00010263,-0.00027152,0.00054182,-0 .03119276,0.02666979,-0.00269060,0.00242965,0.00567241,-0.00427843,-0. 00365624,0.02011593,-0.03598506,-0.00022549,-0.00052822,-0.00192015,0. 00016790,0.00016326,0.00014894,0.00018923,0.00001898,0.00004087,0.0009 9640,0.00033301,-0.00059272,0.00003396,-0.00001992,0.00002890,-0.00010 364,0.00004207,0.00002352,0.00000504,-0.00049664,-0.00049668,0.0015477 5,-0.00094954,0.00137982,-0.08128219,0.00138598,0.02118017,-0.00393466 ,-0.00992831,0.02580204,0.00018934,-0.00035375,0.00024187,-0.00419655, -0.00283747,-0.00096973,0.00019874,-0.00020909,0.00054942,-0.00027833, 0.00006505,0.00063274,-0.00003713,0.00002647,-0.00004422,-0.00018769,0 .00012399,-0.00014937,0.00005752,-0.00004732,0.00010167,-0.00002729,0. 00000857,-0.00003991,0.00005353,-0.00003765,0.00004800,-0.00000660,0.0 0001400,-0.00003691,0.00007759,-0.00001954,0.00012488,0.54338832,-0.00 041591,-0.00010254,0.00059347,0.01602056,-0.00875288,-0.00059678,0.003 44749,0.00191974,0.00747128,0.00726646,-0.01527427,0.03015320,-0.00103 972,-0.00027466,-0.00143286,0.00046819,-0.00026857,0.00043078,-0.00010 812,-0.00045763,0.00007430,0.00012799,-0.00009441,-0.00001117,0.000006 70,0.00000027,0.00000771,-0.00018902,-0.00005737,0.00015513,-0.0005644 2,0.00036161,-0.00139242,0.00137243,0.01200542,-0.02148109,0.00782275, -0.08752717,0.02784314,-0.00663964,-0.00761116,0.01741373,-0.00079782, -0.00115848,0.00071360,-0.00263550,-0.00060488,-0.00074566,-0.00009435 ,0.00005464,0.00026931,-0.00015180,0.00007384,0.00005044,-0.00000797,0 .00000186,-0.00000372,-0.00001747,-0.00001216,-0.00001884,0.00000885,0 .00000552,0.00002373,-0.00000575,0.00000257,0.00000450,0.00001051,-0.0 0000710,0.00000593,-0.00000453,0.00000455,0.00001652,0.00002420,-0.000 00502,-0.00005199,-0.23919796,0.39076611,-0.00008024,-0.00021597,0.000 18109,0.02681904,-0.02266187,0.00834881,0.00107441,0.00357242,-0.00317 458,-0.00788998,0.01314604,-0.01522986,0.00170232,0.00173361,-0.001397 09,-0.00131411,0.00019408,-0.00008802,0.00117486,-0.00000493,-0.000245 61,0.00024588,0.00007511,0.00003505,0.00003218,-0.00001913,0.00002539, 0.00027176,0.00092201,-0.00032732,-0.00045508,-0.00120759,0.00076718,0 .00212952,-0.00235105,-0.02918569,0.00601218,0.03653771,-0.17372077,0. 01065586,0.00713288,-0.00727732,-0.00118046,-0.00062180,0.00104510,-0. 00034529,-0.00011591,-0.00051774,0.00001210,-0.00006951,0.00029922,-0. 00016052,-0.00003546,0.00013362,-0.00003594,0.00002403,-0.00003397,-0. 00012746,0.00005717,-0.00007704,0.00004664,-0.00002601,0.00005734,-0.0 0001724,0.00000771,-0.00001751,0.00003911,-0.00002615,0.00003871,-0.00 002358,0.00001649,-0.00001290,0.00005471,-0.00003104,0.00003661,-0.092 82842,-0.10951794,0.60768780,0.00004419,0.00000390,-0.00012551,0.00079 683,0.00401326,0.00163763,-0.00906118,-0.00819255,0.04634861,-0.001825 39,0.00146809,0.00101611,0.00035082,-0.00028853,-0.00056224,0.00005916 ,0.00004811,0.00012774,0.00008171,-0.00015357,-0.00013153,-0.00008110, 0.00007106,0.00004128,-0.00000683,0.00000782,-0.00000659,0.00003547,0. 00007825,0.00020283,-0.00028612,0.00057523,-0.00026460,-0.00068130,-0. 00040511,-0.00168632,0.00455808,-0.00440774,0.00922134,0.00019882,0.00 042098,-0.00113499,-0.00007247,0.00006573,0.00007047,0.00034432,0.0001 1476,0.00025232,-0.00000039,0.00001320,-0.00005963,0.00001104,-0.00002 723,-0.00003929,0.00000840,-0.00000820,0.00000978,0.00003463,-0.000023 82,0.00002619,-0.00001119,0.00001238,-0.00001360,0.00000433,-0.0000016 4,0.00000752,-0.00001037,0.00000654,-0.00001054,0.00000738,-0.00000418 ,0.00000740,-0.00001272,0.00001390,-0.00002176,-0.22998097,0.07495686, 0.13563079,0.55500917,-0.00010942,-0.00000650,0.00011557,0.00632854,0. 00122986,0.00307190,0.00386939,0.00981117,-0.01764363,0.00056815,-0.00 041021,0.00148519,0.00050483,0.00039185,-0.00030102,-0.00033600,0.0000 1958,-0.00018344,0.00028077,0.00009668,-0.00003915,0.00008475,0.000056 47,0.00007979,0.00002698,-0.00001427,0.00002111,0.00001510,0.00024461, -0.00009002,0.00008562,-0.00040068,0.00027679,-0.00075008,-0.00232101, 0.00119181,-0.00917175,0.01015171,0.00394539,-0.00032515,-0.00109165,0 .00121084,-0.00076749,-0.00004022,-0.00039417,-0.00003661,-0.00043282, -0.00035086,0.00004179,-0.00006012,0.00019991,-0.00011028,0.00001798,0 .00000045,-0.00002999,0.00001850,-0.00002723,-0.00009278,0.00004694,-0 .00005542,0.00003453,-0.00002229,0.00003977,-0.00001246,0.00000615,-0. 00001182,0.00002879,-0.00001949,0.00002969,-0.00001996,0.00001473,-0.0 0001105,0.00004443,-0.00001725,0.00002489,0.09361572,-0.10460185,-0.04 121915,-0.27976862,0.38829081,-0.00003181,0.00011607,-0.00005622,-0.00 345980,0.00711753,-0.00373531,0.01580085,0.00472606,-0.03404788,0.0034 4361,0.00009292,-0.00488823,-0.00036236,-0.00012655,0.00055347,0.00027 046,0.00012615,0.00014922,-0.00049192,-0.00004768,-0.00003787,0.000160 61,0.00004132,0.00004728,-0.00002635,0.00001910,-0.00001892,0.00004775 ,-0.00035709,0.00021439,0.00015872,0.00020356,-0.00006973,0.00040464,0 .00309743,-0.00183304,0.02167923,-0.00596130,-0.02157092,-0.00175446,- 0.00062522,-0.00184285,0.00018227,-0.00034989,0.00012873,0.00037481,0. 00029412,0.00010158,0.00000159,0.00005710,-0.00017914,0.00017282,-0.00 002485,0.00002970,0.00002854,-0.00002182,0.00002713,0.00007964,-0.0000 4751,0.00005809,-0.00002802,0.00002370,-0.00003379,0.00000986,-0.00000 377,0.00001290,-0.00002736,0.00001818,-0.00003150,0.00002596,-0.000013 45,0.00001329,-0.00004047,0.00003027,-0.00002800,0.08567655,-0.0053377 5,-0.19531116,-0.08570252,-0.15956982,0.66911702,0.00013416,0.00003608 ,-0.00021731,0.00248565,-0.00221766,-0.00105839,-0.22488031,0.08257417 ,0.12900221,0.00020776,0.00110422,-0.00293527,-0.00014660,-0.00043105, -0.00022051,0.00000144,-0.00012802,-0.00000771,-0.00048850,-0.00022689 ,0.00005572,0.00013597,0.00030003,-0.00044591,-0.00007967,0.00005435,- 0.00006147,0.00025584,0.00012133,0.00007378,0.00036097,0.00059536,-0.0 0012317,0.00007311,-0.00046813,0.00093742,-0.00084820,0.00504886,0.003 52225,-0.00006972,0.00006668,-0.00097321,-0.00005563,0.00009001,-0.000 01816,-0.00016724,0.00019805,0.00061301,0.00005625,0.00005842,-0.00026 980,0.00016845,-0.00011889,0.00015705,0.00008744,-0.00006139,0.0000768 9,0.00018484,-0.00009376,0.00011050,-0.00007416,0.00005312,-0.00008574 ,0.00002843,-0.00001228,0.00002097,-0.00006689,0.00004441,-0.00007698, 0.00006857,-0.00003747,0.00001865,-0.00010695,0.00007260,-0.00001338,0 .01764675,-0.02435973,0.02162728,-0.10365674,0.01696485,0.04036722,0.5 4241761,-0.00004438,0.00003959,0.00005823,-0.00195396,0.00109089,-0.00 104725,0.08323224,-0.08310827,-0.04432627,-0.00014674,-0.00059577,0.00 163853,-0.00029957,-0.00012050,0.00008971,0.00024725,0.00003393,0.0000 9966,0.00006048,0.00013762,0.00011445,-0.00009668,-0.00022460,0.000165 99,0.00002456,-0.00002078,0.00001804,-0.00013775,-0.00008690,-0.000001 10,0.00000199,-0.00006394,0.00008827,0.00012323,-0.00034317,0.00115900 ,0.00507223,0.00396942,0.00042573,-0.00021439,0.00025169,-0.00097521,0 .00011355,-0.00008449,0.00005833,0.00034446,0.00004666,-0.00013908,-0. 00003702,-0.00000087,0.00001765,0.00000625,0.00007032,-0.00008701,-0.0 0002695,0.00002152,-0.00002414,-0.00005220,0.00002695,-0.00003022,0.00 002035,-0.00001852,0.00002060,-0.00000730,0.00000258,-0.00000628,0.000 01943,-0.00001239,0.00002474,-0.00002574,0.00001174,-0.00000732,0.0000 3062,-0.00002867,0.00000593,-0.04207076,0.02891760,-0.00429663,0.04154 165,-0.11913169,0.07348026,-0.25467003,0.38501336,-0.00008756,0.000004 51,0.00007718,-0.00095683,-0.00099450,0.00334204,0.12877685,-0.0439600 6,-0.16486256,-0.00023986,-0.00051314,0.00164896,0.00042440,0.00037056 ,-0.00013710,-0.00019382,0.00004274,-0.00004714,0.00035725,0.00012587, 0.00008619,-0.00018328,-0.00022784,0.00024074,0.00005835,-0.00004356,0 .00004760,-0.00033533,-0.00004425,-0.00017401,-0.00020176,-0.00038777, 0.00012796,-0.00025285,-0.00074346,0.00001225,0.00298275,0.00088245,0. 00069885,0.00020583,0.00027235,-0.00080146,-0.00056863,-0.00013376,-0. 00046770,0.00050418,0.00011510,-0.00034068,-0.00001877,-0.00004024,0.0 0015605,-0.00014464,0.00009469,-0.00013794,-0.00006518,0.00004793,-0.0 0005718,-0.00012290,0.00006176,-0.00007745,0.00005005,-0.00003862,0.00 005832,-0.00002157,0.00000878,-0.00001419,0.00004708,-0.00003065,0.000 05331,-0.00005198,0.00002543,-0.00001057,0.00007284,-0.00005485,-0.000 00363,0.06406373,-0.03505517,-0.03187254,-0.02075177,0.11853343,-0.313 27373,-0.09661293,-0.14427594,0.67221932,-0.00004345,-0.00001006,0.000 07522,0.00192944,0.00572683,-0.00344335,-0.03523692,0.03143044,-0.0037 1825,0.00032080,-0.00022701,0.00012871,-0.00022396,0.00003808,0.000197 42,0.00002810,0.00021257,-0.00004425,0.00003922,0.00019293,-0.00011028 ,-0.00000993,-0.00008837,0.00011326,0.00001735,-0.00001175,0.00001581, 0.00004062,-0.00008700,0.00003951,0.00010882,-0.00030081,0.00017918,0. 00014172,-0.00011958,0.00002838,-0.00166568,-0.00003753,0.00040512,0.0 0020107,0.00017340,0.00039273,0.00020417,0.00001835,0.00014441,0.00001 296,-0.00012128,-0.00020062,-0.00001065,-0.00001851,0.00007938,-0.0000 2833,0.00003603,-0.00001177,-0.00001987,0.00001369,-0.00001774,-0.0000 4443,0.00002303,-0.00002222,0.00001888,-0.00001319,0.00002220,-0.00000 768,0.00000341,-0.00000453,0.00001500,-0.00000989,0.00001572,-0.000012 18,0.00000674,-0.00000382,0.00002239,-0.00001462,0.00000153,-0.0464491 2,0.03397708,0.00264890,0.03107082,0.00450490,-0.05998421,-0.19325947, 0.10732050,-0.02321618,0.52414164,0.00001162,-0.00001151,-0.00001255,0 .00362666,0.00210127,0.00692040,0.01847209,-0.00816321,0.00044667,-0.0 0023412,0.00018685,0.00008795,0.00011872,0.00006790,0.00004956,-0.0001 8030,-0.00000850,-0.00011001,0.00000615,-0.00001556,-0.00008640,0.0000 1755,0.00003767,-0.00003417,-0.00000544,0.00000612,-0.00000530,0.00003 831,0.00004821,-0.00001413,-0.00000208,-0.00011210,0.00005910,-0.00008 459,0.00002073,-0.00009923,0.00002800,-0.00111770,-0.00082960,0.000013 07,-0.00008378,0.00015988,-0.00010037,0.00006893,-0.00006135,-0.000073 26,0.00003869,0.00003250,0.00000237,0.00000977,-0.00000803,-0.00000652 ,-0.00002024,0.00000862,0.00000648,-0.00000596,0.00000627,0.00001278,- 0.00000759,0.00000631,-0.00000480,0.00000555,-0.00000608,0.00000252,-0 .00000062,0.00000177,-0.00000440,0.00000253,-0.00000480,0.00000487,-0. 00000160,0.00000181,-0.00000575,0.00000667,-0.00000133,0.03365592,-0.0 2173361,-0.00174816,-0.01077331,-0.00766334,0.04929666,0.13286796,-0.1 7975083,0.05992726,-0.25082949,0.36761738,0.00003736,0.00002105,-0.000 05500,0.00168864,0.00322589,-0.00325665,0.02771147,-0.02267725,0.01160 933,0.00014097,0.00011380,-0.00045589,0.00002037,0.00001640,-0.0001315 5,0.00024848,-0.00013639,0.00013514,-0.00016170,-0.00013674,0.00013179 ,0.00008785,0.00006712,-0.00005091,-0.00001242,0.00000967,-0.00001257, -0.00007493,-0.00005602,0.00002890,-0.00003500,0.00040945,-0.00018552, -0.00001149,0.00059060,-0.00033824,0.00058707,-0.00077794,-0.00033597, -0.00045932,-0.00001025,-0.00031915,0.00009697,0.00004847,-0.00011265, 0.00000866,0.00011522,0.00017634,0.00000342,0.00002686,-0.00010624,0.0 0006484,-0.00003609,0.00001954,0.00001493,-0.00001121,0.00001327,0.000 03421,-0.00001810,0.00001610,-0.00001482,0.00001149,-0.00001746,0.0000 0681,-0.00000258,0.00000308,-0.00001227,0.00000777,-0.00001179,0.00001 050,-0.00000409,0.00000136,-0.00001612,0.00001213,0.00000458,0.0057829 3,-0.00387859,0.00152809,-0.02221878,0.02087033,-0.00770205,-0.0851700 2,0.10582461,-0.16588655,-0.11588382,-0.15854764,0.71946943,0.00009044 ,0.00001263,-0.00008207,-0.00992493,-0.00787882,0.04610363,0.00225397, 0.00331264,0.00157197,-0.00021063,0.00119298,-0.00202711,0.00007402,-0 .00011996,0.00010819,-0.00009009,-0.00015707,-0.00010027,0.00010622,-0 .00011042,0.00009519,0.00012612,0.00006319,-0.00003294,-0.00000478,0.0 0000532,-0.00000684,0.00001664,0.00015556,-0.00005763,-0.00019695,0.00 004821,-0.00021238,-0.00032306,0.00023080,0.00105987,-0.00167479,0.004 13484,0.00127448,-0.00043089,-0.00012775,-0.00021367,0.00006693,0.0000 3219,-0.00009033,-0.00003275,0.00007231,0.00003790,0.00001193,0.000008 05,-0.00009309,0.00004991,-0.00003806,0.00004335,0.00000648,-0.0000055 6,0.00000483,0.00000645,0.00000180,-0.00000583,-0.00000414,0.00000283, -0.00000594,0.00000357,-0.00000094,-0.00000210,-0.00000316,0.00000121, -0.00000133,0.00000518,0.00000020,-0.00000475,-0.00000250,0.00000479,0 .00002222,0.03031197,-0.01050540,-0.02018535,-0.01294164,0.00015899,0. 02679741,-0.04038590,0.03634663,-0.01959960,-0.23759853,0.07887622,0.1 4561795,0.55679569,-0.00003373,0.00000438,0.00000187,0.00547719,0.0080 4712,-0.02095368,0.00558218,0.00212391,0.00342909,0.00003129,-0.000751 12,0.00190644,0.00026166,0.00000696,0.00007044,-0.00041529,0.00012695, -0.00014002,0.00017457,0.00002370,-0.00013805,-0.00012044,-0.00000797, 0.00003524,0.00000332,-0.00000060,0.00000304,0.00005501,0.00013091,-0. 00003666,0.00011986,-0.00031909,0.00001225,-0.00028821,-0.00041631,0.0 0026610,0.00528493,0.00103112,-0.00056851,0.00015611,0.00031309,-0.000 70000,-0.00002453,0.00002254,-0.00001481,0.00015548,0.00010164,0.00001 032,-0.00001327,0.00000787,0.00001624,-0.00002435,0.00000543,-0.000053 18,-0.00000366,0.00000133,-0.00000175,0.00000059,-0.00000415,0.0000032 5,0.00000106,0.00000105,0.00000012,-0.00000046,0.00000085,0.00000274,0 .00000062,-0.00000050,0.00000088,-0.00000288,0.00000110,0.00000374,0.0 0000245,-0.00000120,-0.00001588,0.00598418,-0.00854378,0.02091414,-0.0 0063827,0.00036997,0.00428138,0.01848763,-0.01003054,-0.01298253,0.100 70357,-0.10714666,-0.04565005,-0.28799464,0.39511827,-0.00002429,-0.00 002656,0.00001949,0.01366778,0.00412563,-0.03227924,-0.00381299,0.0073 6536,-0.00396867,0.00048686,-0.00010032,-0.00029085,-0.00052051,0.0000 9940,0.00016184,0.00027903,0.00009484,0.00005055,-0.00013806,0.0001470 5,-0.00000930,-0.00005344,-0.00000428,0.00001188,0.00000395,-0.0000034 2,0.00000644,0.00002716,-0.00018097,0.00004346,0.00017002,-0.00002655, 0.00025536,0.00073568,-0.00033494,-0.00002105,-0.00147943,0.00138208,0 .00314372,0.00076397,0.00025860,-0.00012373,0.00023988,-0.00003935,-0. 00008232,0.00006239,-0.00009076,-0.00007516,0.00002052,-0.00002249,0.0 0008423,-0.00003363,0.00002328,0.00002466,-0.00000564,0.00000428,-0.00 000517,-0.00001659,0.00000657,-0.00000107,0.00000867,-0.00000577,0.000 00865,-0.00000444,0.00000185,-0.00000065,0.00000414,-0.00000257,0.0000 0171,-0.00000167,0.00000012,0.00000083,0.00000361,-0.00000179,-0.00000 524,-0.06121858,0.05035481,-0.01056109,0.02771393,0.00310068,-0.057006 67,0.02434515,-0.04520934,0.06538617,0.09396813,-0.00681557,-0.2039235 1,-0.09460763,-0.14909385,0.66009797,-0.00041128,-0.00011567,0.0003611 5,-0.19494681,0.07902885,0.10789822,0.00158719,-0.00176954,0.00016329, -0.00014072,-0.00173797,0.00505070,0.00007138,0.00070221,0.00019081,-0 .00099830,0.00011290,0.00000063,-0.00074427,0.00035809,-0.00002132,-0. 00047096,0.00016615,-0.00039489,-0.00001832,0.00001042,-0.00000467,-0. 00032848,0.00007276,-0.00028931,0.00171008,-0.00200579,0.00023811,0.00 203824,-0.00225169,-0.00005377,0.00823169,-0.00002029,-0.00948586,0.00 284840,-0.00181968,0.00090953,-0.00106720,-0.00032816,-0.00089480,-0.0 0070416,0.00010441,0.00014735,0.00003328,-0.00001388,0.00050450,-0.000 31314,0.00003771,-0.00017474,0.00001624,-0.00001036,0.00001979,0.00005 625,-0.00005391,0.00006481,-0.00001627,0.00001877,-0.00001672,-0.00000 285,0.00000005,0.00001756,-0.00001748,0.00001445,-0.00003341,0.0000069 5,-0.00001476,0.00003304,-0.00003790,0.00002411,-0.00010384,-0.1802574 9,0.12087864,-0.07870139,-0.03858252,0.01835659,0.02542267,-0.01384934 ,0.01790517,-0.02090553,0.01840290,-0.02286654,0.02026032,-0.09934398, 0.01452058,0.04138803,0.49494849,0.00017540,0.00007343,-0.00018796,0.0 7720009,-0.08012830,-0.03736165,-0.00195626,0.00141972,-0.00160971,-0. 00002392,0.00037305,-0.00073993,0.00026309,-0.00031984,-0.00128645,0.0 0066621,-0.00009876,0.00032149,0.00050371,-0.00022544,0.00019761,0.000 12228,-0.00012245,-0.00004721,-0.00000186,-0.00000058,-0.00000697,0.00 009041,0.00005210,0.00019394,-0.00166805,0.00024338,-0.00123539,-0.001 20622,0.00008987,0.00006699,0.00377556,-0.00514016,0.01198201,0.000062 38,0.00023834,-0.00075868,0.00062208,-0.00022563,0.00040193,0.00029675 ,0.00007483,0.00026832,0.00000745,0.00002186,-0.00030673,0.00016699,0. 00000197,0.00004091,0.00000418,-0.00000139,0.00000160,0.00001615,0.000 01363,-0.00000940,-0.00000918,0.00000152,-0.00000984,0.00000623,-0.000 00462,-0.00000498,-0.00000336,0.00000224,0.00000372,0.00000077,0.00000 078,-0.00001207,-0.00000228,-0.00000555,0.00003820,0.09902646,-0.17100 886,0.09868548,0.03550695,-0.00889161,-0.04431097,0.01837705,-0.029293 96,0.03646605,-0.04162627,0.03026318,-0.00133802,0.04127219,-0.1179313 3,0.07507902,-0.23789613,0.37737606,0.00029535,0.00013073,-0.00024722, 0.11061070,-0.03962439,-0.14855356,-0.00062573,-0.00147724,0.00386336, 0.00066453,0.00329607,-0.00783121,0.00035241,-0.00018561,-0.00077251,0 .00006435,-0.00006925,-0.00008443,0.00097770,-0.00017568,0.00020178,0. 00041590,-0.00014239,0.00030985,0.00002279,-0.00001651,0.00001242,0.00 025163,0.00025978,0.00000945,-0.00217038,-0.00024373,-0.00119517,-0.00 317216,0.00211907,0.00000744,-0.02055765,0.01909425,-0.00639396,-0.003 65178,0.00097917,-0.00145978,0.00015099,-0.00037937,0.00050621,0.00085 050,-0.00002929,-0.00017357,-0.00000461,-0.00001177,-0.00034829,0.0002 4139,-0.00004526,0.00010324,-0.00002324,0.00001701,-0.00002599,-0.0000 7078,0.00005861,-0.00006402,0.00002309,-0.00002406,0.00002417,-0.00000 328,0.00000185,-0.00001873,0.00002232,-0.00001638,0.00003406,-0.000012 61,0.00001431,-0.00003122,0.00003846,-0.00002588,0.00009173,-0.0191613 1,0.05608440,-0.15937150,-0.01730335,-0.01263040,0.06376198,-0.0213635 5,0.03686271,-0.05249000,0.06552448,-0.03475255,-0.03580839,-0.0223088 8,0.12373789,-0.31882730,-0.08127015,-0.15274157,0.67170883,0.00000096 ,-0.00000168,0.00000810,0.00004959,-0.00004541,-0.00007078,0.00006083, -0.00002097,-0.00003983,0.00007558,-0.00006119,0.00000633,0.00158954,- 0.00289106,0.00007926,-0.01056754,0.00002613,-0.00138194,-0.01068263,- 0.00058909,-0.00161516,-0.00000661,-0.00002682,0.00001402,0.00000558,- 0.00000032,0.00000411,-0.34716058,-0.04533613,-0.05299358,0.00006464,0 .00140744,-0.00237911,-0.00000291,0.00033557,-0.00041530,-0.00017657,0 .00010210,0.00007258,0.00003291,-0.00004781,-0.00004732,-0.00002867,-0 .00001337,0.00002009,0.00003146,0.00000394,-0.00003304,-0.00000277,-0. 00000091,0.00001221,-0.00000872,0.00001009,-0.00001791,-0.00000605,0.0 0000172,-0.00000479,-0.00001704,0.00000867,-0.00001147,0.00000614,-0.0 0000230,0.00000677,-0.00000132,0.00000161,-0.00000122,0.00000583,-0.00 000438,0.00000732,-0.00000282,0.00000365,-0.00000214,0.00000965,-0.000 00305,0.00000283,-0.00000665,-0.00002103,0.00001687,-0.00000847,0.0000 1578,-0.00001256,-0.00005832,0.00002927,0.00003313,0.00000547,-0.00000 860,-0.00000114,0.00000248,-0.00001376,0.00000950,-0.00005737,0.000036 65,0.00006054,0.36712494,0.00001324,-0.00000262,0.00000273,-0.00000570 ,0.00002476,-0.00003706,0.00002841,-0.00000643,-0.00001193,0.00009003, -0.00012616,-0.00005622,-0.00485399,-0.00248833,0.00441455,-0.02429521 ,-0.00141263,-0.00837396,0.02266264,0.00434969,0.00129866,0.00000921,- 0.00001512,0.00000177,0.00000515,0.00000047,-0.00000077,-0.04289284,-0 .05691894,0.00332678,0.00248008,-0.00222054,0.00566659,-0.00130392,0.0 0153725,0.00010563,0.00013416,0.00020904,0.00011265,0.00000672,0.00000 508,-0.00001316,-0.00000414,-0.00000061,0.00001303,0.00000535,0.000013 88,-0.00001346,-0.00000125,-0.00000219,-0.00000026,-0.00000864,0.00000 804,-0.00000624,-0.00000393,0.00000024,-0.00000252,-0.00001674,0.00000 882,-0.00001045,0.00000354,-0.00000176,0.00000327,0.00000004,0.0000001 8,-0.00000162,0.00000494,-0.00000398,0.00000898,-0.00000484,0.00000657 ,-0.00000234,0.00001162,-0.00000194,0.00000758,0.00000343,-0.00003796, 0.00003782,-0.00000249,0.00003452,-0.00002516,-0.00002851,0.00000179,0 .00001765,0.00000118,0.00001247,-0.00001393,0.00000879,0.00000793,-0.0 0001605,0.00001299,-0.00002041,0.00000995,0.04768478,0.05645476,0.0000 0398,0.00000149,-0.00000670,0.00004326,-0.00005652,-0.00005743,0.00007 277,-0.00001680,-0.00003822,-0.00003534,-0.00003841,-0.00007442,0.0017 0607,0.00558818,0.00441222,0.01339726,-0.00227911,-0.00018264,-0.01532 657,-0.00492206,-0.00418169,0.00000706,0.00001699,-0.00001534,-0.00000 362,-0.00000327,-0.00000269,-0.05466886,0.00303338,-0.04927235,-0.0031 4802,0.00518138,0.00226413,-0.00010128,0.00010736,0.00157979,0.0004083 1,0.00007539,-0.00002383,-0.00004330,0.00009320,0.00007236,0.00003571, 0.00002158,-0.00001902,-0.00002819,-0.00000385,0.00002676,0.00000242,- 0.00000208,-0.00001374,0.00000531,-0.00000477,0.00001573,0.00000369,0. 00000132,0.00000215,0.00000944,-0.00000375,0.00000529,-0.00000362,-0.0 0000062,-0.00000416,0.00000065,-0.00000182,-0.00000085,-0.00000294,0.0 0000272,-0.00000383,-0.00000112,-0.00000188,0.00000060,-0.00000502,-0. 00000083,0.00000214,0.00000452,0.00003751,-0.00001877,0.00000968,0.000 01524,-0.00002131,-0.00007515,0.00001078,0.00006105,-0.00001129,0.0000 0975,0.00000508,0.00001750,-0.00000128,-0.00001879,-0.00005904,0.00003 494,0.00006150,0.05870149,-0.00652763,0.04464564,-0.00000310,-0.000001 91,0.00000459,-0.00167554,-0.00084283,-0.00046431,0.00004239,-0.000022 82,-0.00002902,0.00002116,-0.00002997,0.00006953,0.00481258,-0.0028182 4,0.00330070,0.00179528,-0.00233457,0.00030329,-0.01783543,0.00946604, -0.00920133,0.00000027,0.00000526,0.00000681,0.00000111,0.00000087,0.0 0000019,-0.00390864,-0.00298204,-0.00101362,-0.27006032,0.08832752,-0. 11239850,0.00051873,0.00042332,-0.00022396,0.00007609,0.00014665,-0.00 014020,0.00001577,0.00001828,0.00002396,-0.00000428,-0.00000417,-0.000 01174,0.00000226,0.00000070,-0.00001706,0.00000117,-0.00000121,0.00001 045,-0.00000810,0.00000115,0.00000275,-0.00000087,-0.00000041,-0.00000 037,-0.00000352,0.00000081,-0.00000085,0.00000090,0.00000016,0.0000013 6,-0.00000031,0.00000037,0.00000022,0.00000083,-0.00000079,0.00000108, -0.00000006,0.00000092,0.00000033,0.00000201,0.00000065,-0.00000101,-0 .00012283,0.00019808,0.00004893,-0.00005277,0.00000017,-0.00000051,-0. 00006030,0.00009534,0.00007945,-0.00008195,-0.00004409,0.00002465,0.00 001561,-0.00003626,0.00024183,0.00037926,-0.00082591,-0.00064168,-0.00 026645,0.00081728,-0.00075236,0.28663444,0.00001435,0.00000432,-0.0000 2019,-0.00155947,-0.00033033,0.00044186,-0.00025729,0.00010854,0.00019 753,-0.00013018,0.00009113,-0.00018896,0.02556893,-0.00583154,0.007924 96,-0.00089016,-0.00210871,0.00495655,-0.01175425,0.00905539,-0.010954 33,0.00000622,0.00002910,-0.00005837,-0.00000836,0.00000300,-0.0000083 3,-0.00500317,-0.00011384,0.00304483,0.08337509,-0.08824658,0.05639278 ,0.00120543,0.00032505,-0.00083368,0.00007877,-0.00039812,0.00034376,0 .00002629,-0.00003842,-0.00005889,-0.00000498,0.00001603,-0.00000357,- 0.00005060,0.00000867,0.00009388,0.00000538,0.00000478,-0.00003272,0.0 0001970,-0.00001038,0.00001384,0.00000991,-0.00000482,0.00000835,0.000 02554,-0.00001184,0.00001504,-0.00001146,0.00000534,-0.00001255,0.0000 0373,-0.00000265,0.00000200,-0.00000871,0.00000624,-0.00000908,0.00000 383,-0.00000392,0.00000143,-0.00001393,0.00000456,-0.00000039,0.000011 70,-0.00011197,0.00017387,0.00003347,0.00002501,-0.00003534,0.00022412 ,-0.00009941,-0.00014768,-0.00003331,0.00002831,-0.00001955,-0.0000521 6,0.00027611,0.00000426,0.00065333,-0.00159353,-0.00158104,-0.00043739 ,0.00106558,-0.00022762,-0.09000622,0.08777859,0.00002587,-0.00000252, -0.00000102,-0.00047411,-0.00055615,-0.00089932,-0.00008577,0.00004918 ,0.00006245,0.00017824,-0.00020247,-0.00020956,-0.01367969,0.00251935, -0.00734075,-0.00057993,0.00443891,0.00341471,0.00388362,-0.00552182,0 .00014340,0.00002153,-0.00001259,-0.00001249,0.00000264,-0.00000267,0. 00000056,0.00027356,0.00351704,0.00496767,-0.10972817,0.05690247,-0.09 131937,-0.00113953,-0.00086560,-0.00098351,0.00006684,0.00014855,0.000 60777,-0.00000146,0.00001228,-0.00005060,0.00000808,0.00001161,0.00002 320,-0.00002697,0.00002559,0.00003999,-0.00000564,-0.00000298,-0.00003 130,0.00000887,0.00000402,-0.00000457,-0.00000216,0.00000225,-0.000002 60,-0.00000475,0.00000546,-0.00000592,-0.00000178,-0.00000191,0.000001 29,0.00000021,-0.00000090,-0.00000269,0.00000171,-0.00000112,0.0000037 6,-0.00000223,0.00000193,-0.00000281,0.00000382,-0.00000317,0.00000815 ,0.00010876,0.00003177,0.00005577,-0.00003974,0.00005677,0.00004945,0. 00006015,-0.00000754,-0.00018449,0.00020783,0.00000363,-0.00010637,0.0 0000865,0.00020092,0.00012227,-0.00078922,-0.00133223,-0.00038822,-0.0 0000353,0.00005066,0.00081271,0.12124656,-0.05962490,0.09141739,0.0012 8335,-0.00007397,-0.00108676,-0.00026258,-0.00013926,0.00031035,0.0000 2674,0.00000018,-0.00004814,-0.04465438,-0.02042283,0.08192952,0.00033 855,-0.00073908,0.00042886,0.00026824,0.00061058,0.00015169,-0.0003474 0,0.00021048,-0.00027390,-0.00228734,0.00167234,-0.00279013,-0.0001155 3,0.00004651,-0.00007652,-0.00028799,-0.00035625,0.00016818,-0.0001018 6,0.00032170,-0.00023780,0.00011176,0.00036683,-0.00010088,-0.00007475 ,0.01877554,-0.03581593,-0.00018391,0.00028285,-0.00112487,-0.00037598 ,-0.00058242,0.00005773,-0.00768142,0.00161891,-0.00073457,0.00117231, -0.00001146,-0.00152422,0.00224290,-0.00111179,0.00359322,0.00012407,- 0.00006390,0.00013533,0.00070209,-0.00026087,0.00042714,-0.00030413,0. 00017340,-0.00017618,0.00000442,-0.00002533,0.00007226,-0.00015667,0.0 0013618,-0.00023919,0.00002568,-0.00009186,0.00017560,-0.00039101,-0.0 0000411,-0.00066924,-0.00594530,0.00438092,-0.00064170,-0.00054185,-0. 00013040,0.00115378,0.00029311,0.00003939,-0.00007100,-0.00000125,-0.0 0008936,0.00009741,-0.00052956,0.00036923,0.00004337,0.00122882,0.0002 1355,-0.00190190,-0.00001493,-0.00003240,0.00001488,0.00000053,0.00001 700,-0.00003489,0.05423521,0.00164102,-0.00005973,-0.00047060,-0.00024 985,-0.00001944,-0.00014516,0.00024572,-0.00009820,-0.00024245,-0.0013 2990,-0.09647359,0.16346517,0.00045948,-0.00063903,0.00008136,0.000128 08,0.00067951,0.00000371,0.00030124,0.00058004,-0.00036156,-0.00009756 ,-0.00375444,-0.00061795,-0.00009951,0.00004576,-0.00008409,-0.0004597 4,-0.00004052,-0.00002973,0.00007550,-0.00033277,0.00016743,-0.0016149 5,-0.00033923,0.00215219,0.00336169,-0.01619511,0.02582303,-0.00024843 ,0.00167819,-0.00056633,-0.00060989,0.00025086,0.00028515,-0.00113524, 0.00220500,-0.00194336,0.00067406,0.00007748,-0.00041236,0.00067927,-0 .00085417,0.00173192,0.00011636,-0.00005504,0.00003846,0.00003714,0.00 001810,-0.00026046,-0.00005453,-0.00002548,-0.00004681,0.00002678,0.00 000458,-0.00008921,-0.00008613,0.00003726,-0.00008288,0.00019624,-0.00 007610,-0.00024616,-0.00025930,0.00012902,0.00078356,0.00274970,-0.001 42581,-0.00056150,0.00022080,0.00008077,-0.00114089,-0.00045958,0.0003 8420,0.00040358,0.00007346,0.00000499,-0.00018898,0.00003470,-0.000120 69,-0.00001610,0.00014987,0.00040029,0.00065131,0.00003311,0.00003771, 0.00000420,-0.00000797,0.00000372,0.00001445,-0.00520147,0.11520571,-0 .00190415,0.00071541,0.00105590,0.00016244,-0.00012044,-0.00012103,-0. 00021707,0.00007040,0.00023409,0.04499720,0.18567443,-0.39886493,-0.00 003906,0.00010637,-0.00042976,0.00028266,0.00009654,-0.00011063,-0.000 21452,0.00003018,0.00000415,-0.00257357,-0.00055697,-0.00387467,0.0001 1632,-0.00008515,0.00009661,-0.00004958,-0.00008621,0.00004140,0.00008 994,0.00019695,-0.00017272,0.00200453,-0.00138461,0.00291509,-0.004869 52,0.00504320,-0.00892337,0.00180104,-0.00064119,-0.00001324,-0.000395 04,0.00064147,-0.00083730,0.00240920,-0.00279892,0.00650613,-0.0012378 8,0.00031420,0.00024428,0.00002992,0.00069397,-0.00391173,-0.00013510, 0.00009992,-0.00008725,-0.00006317,-0.00004396,0.00004664,0.00011735,- 0.00006495,-0.00006243,0.00004193,-0.00002569,0.00007290,0.00005601,-0 .00001496,0.00017664,-0.00027395,0.00005476,-0.00001920,0.00018938,-0. 00029835,-0.00017897,0.00050404,-0.00007285,0.00068520,-0.00000158,-0. 00000886,0.00002404,0.00020272,-0.00003477,-0.00025563,-0.00002295,0.0 0001413,0.00003632,0.00010404,-0.00014524,0.00001998,-0.00016303,0.000 32744,0.00040330,-0.00001038,-0.00001194,0.00000929,-0.00001374,0.0000 5567,0.00001085,-0.04167112,-0.18702493,0.40709646,0.00116298,0.000106 74,-0.00014331,0.00154908,0.00128859,-0.00227939,0.00018831,-0.0001068 7,-0.00010851,-0.00788897,-0.00261788,0.00017981,0.00027208,-0.0002447 7,0.00020381,0.00012994,0.00005464,-0.00005297,0.00005046,-0.00002627, 0.00007748,0.00039498,0.00012710,0.00086937,0.00000075,0.00000007,-0.0 0000128,0.00007355,0.00002036,-0.00001426,-0.00011504,-0.00003310,0.00 001053,0.00014683,0.00080016,0.00007331,-0.01847286,0.01771379,-0.0070 9008,-0.20888245,0.12149550,-0.05277460,0.00140028,-0.00116893,0.00048 681,0.00361792,-0.00451866,0.00257557,-0.00053519,-0.00017208,-0.00019 472,0.00063365,0.00004712,0.00040514,-0.00000047,-0.00000002,-0.000003 99,-0.00006263,0.00007395,0.00009429,0.00002259,-0.00003133,0.00001648 ,-0.00001293,0.00000248,-0.00000103,0.00000856,-0.00000570,0.00000317, 0.00000335,-0.00000118,-0.00001024,0.00000205,0.00000865,0.00003864,0. 00078534,0.00033007,-0.00065913,-0.00015587,0.00005944,0.00030929,-0.0 0017127,0.00015517,-0.00020376,0.00015692,-0.00012617,-0.00001243,0.00 021567,-0.00015142,0.00010081,-0.00259189,0.00034855,0.00235620,0.0000 1231,0.00001084,-0.00000717,-0.00001161,-0.00006833,-0.00000281,0.0004 5894,-0.00037584,0.00120791,0.22611867,-0.00052507,0.00040033,0.000295 28,0.00053034,-0.00544702,0.00148461,0.00011400,-0.00005656,-0.0000738 3,-0.00589006,-0.00029048,0.00017942,0.00019825,0.00010413,0.00009921, 0.00004467,0.00001213,0.00001252,0.00004480,-0.00001704,0.00004551,-0. 00046879,0.00025778,0.00151694,-0.00000665,0.00000510,-0.00000528,0.00 001885,0.00003407,-0.00002347,-0.00008294,-0.00002556,0.00001137,-0.00 016025,0.00034195,-0.00026697,-0.01042548,0.01028066,-0.00501882,0.123 26567,-0.14085469,0.04363343,0.02024347,-0.01695016,0.00463873,0.00658 097,-0.00570283,0.00058230,0.00039592,-0.00035972,0.00036950,0.0002006 9,0.00051042,-0.00008262,0.00000839,-0.00000712,0.00000978,-0.00008373 ,-0.00002503,0.00015170,0.00000949,-0.00002768,-0.00000474,-0.00000048 ,0.00000395,0.00002278,-0.00001274,0.00000843,-0.00001822,0.00000350,- 0.00000506,0.00001640,-0.00001843,0.00003410,-0.00005118,0.00090417,0. 00051608,-0.00045652,0.00000526,-0.00002984,0.00011694,-0.00007508,0.0 0007429,-0.00006125,0.00002995,-0.00009861,-0.00004995,0.00029197,-0.0 0003251,-0.00003030,-0.00171347,0.00068978,0.00126602,0.00000714,-0.00 000182,-0.00000667,-0.00001853,-0.00005691,-0.00000730,0.00006462,-0.0 0042680,0.00044296,-0.13179538,0.15912309,0.00044158,0.00003785,0.0000 7673,-0.00053112,0.00232089,-0.00100728,-0.00015304,0.00008001,0.00008 463,0.00197519,0.00024840,0.00089302,0.00020492,-0.00006638,-0.0000002 0,-0.00002438,0.00004153,-0.00007839,0.00006844,0.00003148,-0.00003903 ,0.00218325,0.00250591,-0.00613067,-0.00000642,0.00000511,-0.00000463, 0.00001833,0.00003704,0.00000401,0.00000474,-0.00007455,0.00008559,-0. 00074531,0.00014263,-0.00029581,0.00225076,-0.00303411,0.00017734,-0.0 5008319,0.04102695,-0.06556335,0.01697569,-0.01333720,0.00492086,-0.02 797516,0.01835197,-0.00907864,-0.00035163,0.00008244,-0.00044993,-0.00 122219,0.00017651,-0.00008857,0.00000468,-0.00000554,0.00000451,0.0003 3652,-0.00007693,-0.00050547,-0.00014106,0.00008976,-0.00004049,0.0000 2924,-0.00000694,-0.00005868,-0.00000015,-0.00000184,0.00000219,0.0000 0417,0.00000624,0.00000119,0.00002139,-0.00001417,0.00003108,0.0002635 0,-0.00046860,0.00036454,0.00001746,0.00014028,-0.00014577,0.00015759, -0.00014925,0.00006385,-0.00009949,0.00010149,0.00000048,-0.00012532,- 0.00004907,-0.00018484,0.00144119,0.00023192,-0.00101061,0.00000163,0. 00001122,0.00000340,0.00000459,0.00002835,0.00001520,0.00041336,0.0001 1507,-0.00042856,0.05492448,-0.04560194,0.07916729,0.00776165,0.001560 43,-0.01354778,-0.00000370,0.00002064,0.00000209,0.00001738,-0.0000059 7,-0.00001816,0.00001653,-0.00030675,0.00033508,0.00001794,0.00001699, 0.00001880,-0.00000850,0.00000066,-0.00001145,0.00001109,0.00000437,-0 .00000002,-0.00431841,0.00206734,0.00440720,0.00002892,-0.00002731,0.0 0003962,0.00000335,0.00000306,-0.00000237,-0.00000826,-0.00001359,0.00 001038,0.00000317,-0.00004069,-0.00005888,-0.00037516,0.00016662,-0.00 060573,0.00161562,0.00039172,0.00014802,0.00001825,0.00003051,0.000087 95,-0.00464058,0.00327239,-0.00484617,-0.13686411,-0.01726479,0.143488 34,-0.00057434,-0.00777613,0.02125750,0.00002119,0.00000651,-0.0000566 2,0.00055389,-0.00105725,-0.00015297,-0.00081370,0.00051692,0.00041549 ,0.00029919,-0.00013868,-0.00033995,0.00001592,-0.00004584,0.00002284, 0.00013373,0.00001328,-0.00004431,-0.00005222,0.00006906,0.00000539,0. 00015395,0.00004671,0.00006780,-0.00001691,0.00002240,-0.00002469,-0.0 0002167,-0.00000398,0.00000235,0.00000941,-0.00000067,-0.00001032,-0.0 0000167,-0.00000843,0.00000598,0.00000975,-0.00001731,-0.00000528,-0.0 0000007,-0.00000049,0.00000072,0.00000035,-0.00000274,0.00000013,0.000 33658,0.00023149,-0.00022404,0.00006003,-0.00013890,0.00018368,0.13716 947,-0.00633326,-0.00307355,0.00662767,-0.00002498,-0.00001731,0.00002 478,0.00000819,-0.00000478,-0.00001101,-0.00005052,0.00009365,-0.00025 063,-0.00000766,-0.00001824,0.00000647,0.00000421,-0.00000156,-0.00000 719,-0.00000443,-0.00000117,-0.00000650,0.00399038,0.00567182,0.000664 03,-0.00003056,-0.00001563,-0.00002155,-0.00001058,-0.00000765,0.00000 382,-0.00000129,0.00000349,-0.00000239,-0.00000937,-0.00001395,-0.0000 3717,0.00012045,0.00012495,-0.00039236,0.00037020,0.00230061,0.0007837 4,-0.00018604,-0.00040654,0.00060663,0.00159965,-0.00095896,0.00214692 ,-0.01855664,-0.03514882,0.04895263,0.00164785,0.00179085,-0.00754334, 0.00007927,0.00006293,0.00004029,-0.00156146,-0.00200440,-0.00106732,- 0.00029173,-0.00001637,0.00025980,0.00017272,-0.00055236,0.00001785,-0 .00016591,0.00008638,0.00019991,0.00003883,0.00019946,-0.00025117,0.00 034543,-0.00023396,0.00006379,0.00008937,0.00002411,0.00003476,0.00000 115,0.00001524,-0.00004284,-0.00001242,-0.00000564,0.00000463,-0.00000 041,0.00000059,-0.00000940,-0.00000626,-0.00000064,-0.00000371,0.00003 154,-0.00000423,-0.00003303,-0.00000107,0.00000022,0.00000192,-0.00000 056,0.00000334,0.00000536,-0.00020740,0.00000761,0.00021909,-0.0001324 7,-0.00000888,-0.00011608,0.01844248,0.03110787,0.00821479,0.00022416, -0.01077477,0.00000358,0.00002196,-0.00000505,0.00003230,-0.00001219,- 0.00003048,0.00006617,0.00002755,-0.00000703,0.00002051,0.00001906,0.0 0002195,-0.00001110,0.00000697,-0.00000161,0.00002684,0.00000858,0.000 00115,0.00063896,0.00177365,0.00198968,-0.00002922,0.00000913,-0.00003 527,-0.00000349,0.00001063,-0.00000835,-0.00001010,-0.00002553,0.00001 540,-0.00003344,-0.00002625,-0.00006954,-0.00010217,-0.00010788,-0.000 43674,0.00106772,0.00078316,0.00030473,0.00002561,-0.00004415,0.000189 51,-0.00219207,0.00144069,-0.00195256,0.14441558,0.04764833,-0.2743428 4,-0.00100064,-0.00057576,0.00150600,0.00005135,0.00000754,0.00005586, 0.00002883,-0.00072219,-0.00102856,-0.00091043,0.00025974,-0.00063188, -0.00001817,-0.00015328,0.00015542,-0.00016084,0.00010520,0.00001135,0 .00006752,0.00004537,-0.00019246,0.00023433,-0.00014398,0.00004598,0.0 0010431,0.00004115,0.00005035,-0.00000862,0.00002560,-0.00003305,-0.00 004324,0.00000440,0.00001843,0.00001035,-0.00000076,-0.00001236,-0.000 00320,-0.00000165,0.00000091,0.00000819,-0.00001928,-0.00000317,0.0000 0166,0.00000109,-0.00000076,0.00000053,-0.00000482,-0.00000034,-0.0000 6861,0.00000505,0.00003782,0.00005060,-0.00015132,0.00011831,-0.148998 11,-0.05099828,0.28551226,0.00028363,-0.00024059,0.00007322,0.00000338 ,-0.00000702,-0.00000491,0.00000207,-0.00000208,-0.00000092,0.00001257 ,-0.00005349,0.00001902,0.00000025,-0.00000791,-0.00000548,0.00000381, -0.00000486,-0.00001129,-0.00000304,-0.00000189,-0.00000347,0.00013997 ,-0.00036573,0.00046264,-0.00008628,-0.00003953,-0.00024318,-0.0000032 9,-0.00000338,0.00000236,0.00000227,0.00000286,0.00000129,0.00000526,- 0.00000592,0.00000993,-0.00002181,0.00005868,-0.00003011,0.00007169,0. 00004042,0.00004279,-0.00001006,-0.00000343,0.00000892,-0.00015666,0.0 0009720,-0.00016784,-0.00011797,-0.00014756,-0.00049230,-0.00157503,-0 .00093409,-0.00084154,-0.00057908,0.00059711,0.00055079,-0.00120636,0. 00226418,0.00110261,-0.24812029,0.11119162,0.08993535,-0.01326726,0.00 790269,0.00957234,0.00117344,0.00414118,-0.00298826,0.00032780,-0.0004 8688,-0.00033354,0.00256702,0.00202381,0.00110879,0.00000753,-0.000006 97,0.00000024,-0.00000244,-0.00000005,-0.00000322,-0.00000030,0.000001 96,0.00000037,-0.00000063,-0.00000079,0.00000049,0.00000110,-0.0000017 2,-0.00000080,-0.00000597,0.00000490,0.00000560,-0.00000104,0.00000120 ,0.00000179,-0.00000019,0.00000206,0.00000263,0.00000651,0.00004817,-0 .00002834,-0.00000169,0.00000132,0.00000658,-0.00069703,0.00059537,-0. 00147328,0.26200359,-0.00007225,-0.00014310,0.00003277,-0.00000022,-0. 00000159,-0.00000672,0.00000569,-0.00000259,-0.00000650,-0.00000900,-0 .00001159,-0.00001175,0.00000788,-0.00000168,-0.00000662,-0.00000195,0 .00000479,-0.00001195,0.00000050,0.00000772,-0.00000589,-0.00000505,-0 .00009725,0.00020857,-0.00004484,-0.00016790,0.00016029,-0.00000277,-0 .00000565,0.00000345,0.00000031,-0.00000484,0.00000389,-0.00000304,-0. 00000922,0.00001367,0.00000525,0.00001408,0.00000137,-0.00000146,0.000 04848,0.00001810,-0.00000061,0.00000450,0.00000429,-0.00012430,0.00001 168,0.00002732,0.00040442,-0.00001703,-0.00055000,-0.00198449,-0.00221 315,-0.00051082,0.00067374,0.00011958,-0.00035384,-0.00064447,0.003026 72,0.00146646,0.11200551,-0.09568391,-0.04458622,0.01096273,-0.0022065 5,-0.00651170,0.00404854,0.00508079,0.00264931,-0.00040495,-0.00052731 ,0.00041424,0.00181587,0.00514337,0.00100897,0.00000229,-0.00000478,0. 00000029,-0.00000232,0.00000071,-0.00000372,-0.00000605,0.00000370,0.0 0000665,0.00000136,-0.00000153,-0.00000208,-0.00000122,-0.00000053,0.0 0000074,-0.00000099,0.00000146,0.00000305,-0.00000064,-0.00000040,0.00 000139,-0.00000033,0.00000061,0.00000169,0.00001379,0.00000881,0.00000 936,0.00000034,0.00000183,-0.00000612,0.00008737,0.00085424,0.00052277 ,-0.12411241,0.09026985,-0.00037171,0.00029486,-0.00000761,-0.00001905 ,-0.00000819,0.00002395,-0.00003107,0.00001162,0.00002644,-0.00012836, 0.00001708,0.00001843,-0.00002292,-0.00002989,0.00001602,0.00001465,-0 .00000766,0.00000818,-0.00004145,-0.00001866,-0.00000250,-0.00014394,0 .00013981,0.00027574,-0.00000144,0.00002503,-0.00032208,0.00000723,-0. 00001700,0.00001291,0.00000428,0.00004219,-0.00002296,0.00001927,0.000 03901,-0.00001525,0.00013164,0.00001146,0.00004226,-0.00010384,0.00001 530,-0.00004399,-0.00000156,-0.00007388,0.00003895,-0.00002430,-0.0000 8214,0.00023126,0.00022114,0.00010187,-0.00036515,0.00075086,-0.001059 40,0.00100076,-0.00086961,0.00044099,0.00062624,0.02667007,-0.01389039 ,-0.00558602,0.09065167,-0.04446683,-0.09982491,-0.01793258,0.00921378 ,0.01100886,-0.00257542,0.00251353,-0.00193044,-0.00044916,0.00029697, -0.00095641,-0.00003023,0.00147021,-0.00592261,-0.00004076,-0.00000092 ,-0.00002249,0.00000730,-0.00001683,0.00001639,0.00003495,-0.00000993, -0.00002326,-0.00000832,0.00000254,0.00000634,0.00000043,0.00000101,-0 .00000246,0.00001450,-0.00000012,-0.00001643,-0.00000292,-0.00000237,0 .00000130,-0.00000030,0.00000442,-0.00000147,0.00012627,-0.00003320,-0 .00000357,-0.00000445,0.00000641,0.00000007,-0.00150020,0.00001856,-0. 00046387,-0.09585991,0.04648832,0.10158901,-0.00005260,0.00002865,-0.0 0003766,0.00000139,0.00000168,-0.00000375,0.00000402,-0.00000193,-0.00 000376,0.00001567,0.00000176,-0.00001273,0.00000170,0.00000213,-0.0000 0201,-0.00000162,0.00000068,-0.00000393,0.00000117,0.00000243,-0.00000 145,-0.00029802,0.00004872,-0.00034462,-0.00002629,0.00031428,-0.00049 147,0.00000150,-0.00000002,0.00000036,0.00000051,-0.00000306,0.0000023 0,-0.00000060,-0.00000286,0.00000382,-0.00000975,-0.00000484,0.0000027 2,-0.00002523,0.00002578,0.00000117,0.00000213,0.00000708,0.00000157,0 .00003955,0.00002249,-0.00006925,0.00002877,0.00002547,0.00001860,0.00 071214,-0.00012418,-0.00066517,0.00024390,-0.00240472,0.00103406,-0.00 097449,0.00510691,-0.00192033,0.00793042,0.00004552,-0.02156557,-0.064 23099,0.00823070,0.05331909,-0.00125867,-0.00100991,0.02677697,-0.0031 6735,0.00494124,0.00095245,-0.00082562,0.00014516,-0.00026587,0.000003 52,-0.00000067,0.00000267,-0.00000162,0.00000186,-0.00000248,-0.000004 52,0.00000207,0.00000334,0.00000107,-0.00000064,-0.00000124,-0.0000004 7,-0.00000042,0.00000066,-0.00000084,-0.00000025,0.00000183,-0.0000002 0,0.00000023,0.00000082,-0.00000015,-0.00000024,0.00000015,-0.00002452 ,-0.00000215,0.00001345,0.00000410,0.00000247,-0.00001272,-0.00001767, -0.00000428,-0.00002385,-0.00032930,-0.00224164,0.00000302,0.06235003, 0.00006554,-0.00000981,0.00001262,-0.00000081,-0.00000427,-0.00000051, -0.00000228,0.00000012,0.00000139,-0.00001848,-0.00001774,0.00000697,- 0.00000264,-0.00000860,0.00000026,0.00000315,-0.00000222,-0.00000626,- 0.00001125,-0.00000282,-0.00000453,0.00011259,-0.00031600,0.00010647,0 .00020824,0.00027630,0.00028565,0.00000182,-0.00000762,0.00000587,0.00 000110,0.00000960,-0.00000365,0.00000625,0.00000694,0.00000103,0.00001 522,0.00002115,-0.00000139,0.00002167,0.00000754,0.00000204,-0.0000004 8,-0.00000912,0.00000899,-0.00011010,-0.00000239,0.00002727,-0.0000515 5,-0.00002966,-0.00004124,-0.00044570,0.00045520,0.00050945,-0.0021886 3,-0.00253425,-0.00109515,0.00526213,0.00464205,0.00232882,-0.00330337 ,0.00352378,0.01369033,0.00845427,-0.04335817,0.00892787,0.00215118,0. 00356075,-0.01328547,0.00471663,0.00347606,-0.00013309,0.00033065,-0.0 0081222,0.00003469,-0.00000334,-0.00000382,-0.00000374,-0.00000026,-0. 00000281,0.00000102,0.00000309,0.00000054,-0.00000104,-0.00000102,-0.0 0000060,0.00000074,0.,-0.00000075,-0.00000058,-0.00000107,0.00000251,0 .00000122,-0.00000161,-0.00000055,0.00000211,-0.00000040,0.00000185,0. 00000117,0.00002552,0.00001334,-0.00001316,0.00000148,0.00000093,0.000 00784,0.00002111,0.00000975,-0.00000045,-0.00231646,-0.00300661,-0.000 60795,-0.01272837,0.03436793,-0.00005205,0.00004106,-0.00006759,0.0000 0303,0.00000588,-0.00000697,0.00001123,-0.00000361,-0.00001080,0.00001 636,0.00002887,-0.00002529,0.00001090,0.00001167,-0.00000380,-0.000006 94,0.00000795,-0.00000135,0.00001468,0.00001047,-0.00000016,-0.0002522 1,0.00011266,-0.00023041,0.00023973,-0.00011461,0.00021363,-0.00000319 ,0.00000408,-0.00000378,-0.00000237,-0.00001635,0.00000789,-0.00001196 ,-0.00001182,0.00000550,-0.00001128,-0.00003056,0.00000346,-0.00002190 ,0.00001197,0.00000846,0.00000798,0.00001563,-0.00000669,0.00002295,0. 00002184,-0.00004883,0.00001918,0.00002134,-0.00001110,0.00067303,-0.0 0024468,-0.00038085,-0.00060923,-0.00015800,0.00028324,-0.00247769,0.0 0234225,0.00011509,0.00563841,-0.00113402,-0.01321457,0.05471076,0.008 37831,-0.34430604,-0.00090544,0.00160356,-0.00601307,0.00191991,-0.000 49235,0.00125933,-0.00039993,0.00005175,0.00067426,0.00000723,0.000003 06,0.00000666,-0.00000146,0.00000507,-0.00000455,-0.00001395,0.0000039 8,0.00001044,0.00000368,-0.00000111,-0.00000321,-0.00000176,0.00000073 ,0.00000165,-0.00000037,-0.00000240,0.00000206,0.00000122,-0.00000001, -0.00000099,0.00000012,-0.00000221,-0.00000032,-0.00003049,-0.00002651 ,0.00002812,0.00000188,0.00000038,-0.00001108,-0.00000228,-0.00000296, -0.00001735,-0.00034811,-0.00047238,0.00081072,-0.05807231,-0.00999647 ,0.36132697,-0.00005864,0.00002258,-0.00005011,0.00001013,-0.00000030, -0.00001175,0.00001200,-0.00000603,-0.00000999,0.00005086,-0.00001455, -0.00002100,0.00000511,0.00000685,-0.00000711,-0.00000367,0.00000055,- 0.00000454,0.00001029,0.00000447,-0.00000044,0.00004800,-0.00001146,-0 .00004024,0.00022315,0.00009138,0.00021097,0.00000041,0.00000495,-0.00 000275,-0.00000040,-0.00001129,0.00000677,-0.00000561,-0.00001006,0.00 000838,-0.00004084,0.00000062,-0.00000509,0.00000509,-0.00000864,0.000 01222,-0.00000183,0.00002484,-0.00001276,-0.00002797,0.00002630,0.0000 0643,-0.00011890,0.00003806,-0.00024170,-0.00046499,0.00015759,0.00085 716,-0.00052565,-0.00181549,-0.00050922,0.00088171,0.00408048,-0.00276 974,0.00029754,-0.00038010,-0.00064935,0.00263546,0.00181787,0.0009766 3,-0.00051498,0.00217274,-0.00085869,-0.26229848,0.11047261,0.09042195 ,-0.01147369,0.00717067,0.00902094,0.00001141,-0.00000158,0.00000746,- 0.00000390,0.00000475,-0.00000739,-0.00001261,0.00000551,0.00000891,0. 00000228,-0.00000129,-0.00000202,0.00000013,-0.00000093,-0.00000006,-0 .00000901,0.00000276,0.00000909,0.00000064,0.00000074,0.00000036,-0.00 000020,-0.00000066,0.00000114,-0.00006119,0.00001146,0.00002800,0.0000 0322,-0.00000299,-0.00000657,0.00000091,0.00000961,0.00000663,-0.00030 910,-0.00044947,0.00000134,0.00005709,0.00027032,-0.00004141,0.2719482 8,0.00006808,-0.00001643,0.00009439,-0.00001182,-0.00000148,0.00000601 ,-0.00000767,0.00000198,0.00000234,-0.00009201,0.00000180,-0.00001038, -0.00000027,-0.00001124,0.00000528,-0.00000152,0.00001006,-0.00000694, -0.00003187,0.00000556,-0.00001185,-0.00001007,-0.00002985,0.00011497, 0.00020489,0.00033394,-0.00002995,0.00000910,-0.00002607,0.00001860,-0 .00000235,0.00002209,-0.00001358,0.00001203,0.00001706,-0.00000058,0.0 0006332,0.00000125,0.00001483,-0.00000781,0.00000789,-0.00001070,-0.00 000415,-0.00001621,0.00001076,0.00006144,-0.00000784,-0.00002685,-0.00 002411,-0.00019725,0.00009363,0.00045374,-0.00004356,-0.00056318,-0.00 205809,-0.00277139,-0.00044796,0.00411733,0.00515032,0.00271335,-0.000 38038,-0.00040457,0.00040884,0.00203329,0.00489365,0.00113850,-0.00159 877,0.00384107,0.00200159,0.11056549,-0.09300340,-0.04157931,0.0106961 1,-0.00132717,-0.00603792,-0.00001339,-0.00000146,-0.00000839,0.000000 71,-0.00000850,0.00000420,0.00000681,0.00000042,-0.00000102,-0.0000009 9,-0.00000113,-0.00000019,-0.00000272,0.00000007,0.00000087,0.00001006 ,-0.00000116,-0.00000731,-0.00000318,-0.00000664,0.00000298,-0.0000012 3,0.00000243,-0.00000121,0.00009503,0.00002514,-0.00002056,-0.00000419 ,0.00000092,0.00000302,-0.00000760,0.00000562,0.00000114,-0.00046261,- 0.00085547,-0.00014405,0.00005952,0.00050624,0.00014011,-0.12147254,0. 08696982,-0.00006349,0.00000698,-0.00004223,0.00001190,-0.00000448,-0. 00000895,0.00000732,-0.00000513,-0.00000288,0.00006970,-0.00004443,-0. 00000223,-0.00000272,0.00000102,-0.00000499,0.00000201,-0.00000797,-0. 00000488,0.00000336,-0.00000370,0.00000107,0.00007763,-0.00006095,-0.0 0001562,-0.00050964,0.00035456,-0.00009013,0.00000234,0.00000582,-0.00 000262,0.00000148,-0.00000148,0.00000256,0.00000394,-0.00000465,0.0000 0548,-0.00005412,0.00002520,-0.00001014,0.00000891,-0.00000972,0.00000 841,-0.00000766,0.00001832,-0.00000993,-0.00002455,0.00002824,-0.00000 231,-0.00014514,0.00010079,-0.00024560,-0.00069193,0.00028584,0.000803 25,0.00112067,-0.00131743,0.00121106,-0.00247657,0.00267978,-0.0022922 3,-0.00048689,0.00031286,-0.00078054,0.00011688,0.00154948,-0.00576107 ,0.02655693,-0.01315527,-0.00689184,0.08904057,-0.04075553,-0.09742310 ,-0.01788262,0.00883209,0.01152889,0.00001009,-0.00000424,0.00000603,- 0.00000416,0.00000429,-0.00000656,-0.00000535,0.00000330,0.00000194,-0 .00000035,-0.00000012,0.00000055,0.00000266,-0.00000197,-0.00000153,-0 .00001168,0.00000492,0.00001012,0.00000019,0.00000198,0.00000143,-0.00 000021,0.00000078,0.00000130,-0.00006836,0.00003387,0.00001765,0.00000 466,-0.00000274,-0.00000496,-0.00000309,0.00000496,0.00000926,-0.00003 136,-0.00015394,0.00010544,0.00142073,-0.00067175,-0.00030820,-0.09602 929,0.04267366,0.09942439,0.00078426,0.00007375,-0.00015407,-0.0000277 1,-0.00001461,0.00003005,-0.00005285,0.00001968,0.00003966,-0.00028709 ,-0.00013857,0.00014512,-0.00002089,-0.00004829,0.00001949,0.00001690, 0.00000415,0.00000428,-0.00007633,-0.00001560,-0.00001242,-0.00041875, -0.00037070,0.00047468,-0.00031913,0.00007095,0.00003932,0.00001199,-0 .00004519,0.00003185,0.00000216,0.00006914,-0.00004006,0.00003530,0.00 004570,-0.00001455,0.00010631,0.00012010,-0.00003476,-0.00000832,0.000 03416,-0.00000149,-0.00005244,-0.00004840,0.00004473,-0.00075354,0.000 28127,-0.00093362,-0.00005432,0.00000581,-0.00006662,-0.00016582,-0.00 204333,0.00114848,0.00052298,0.00013057,-0.00105711,-0.00017344,-0.001 16787,0.02652036,-0.00307064,0.00491573,0.00118062,-0.00109379,0.00027 584,-0.00025627,-0.00061546,0.00482302,-0.00229414,0.00768876,0.000461 41,-0.02141198,-0.06470643,0.00664325,0.05403180,-0.00003478,-0.000012 68,-0.00003082,0.00000983,-0.00003055,0.00002462,0.00005914,-0.0000170 8,-0.00003928,-0.00001114,0.00000230,0.00000809,0.00000069,-0.00000150 ,-0.00000207,0.00001310,0.00000550,-0.00001595,-0.00000593,-0.00000874 ,0.00000241,-0.00000140,0.00000760,-0.00000217,0.00051898,0.00031744,- 0.00026159,-0.00000177,-0.00001728,0.00002591,0.00009902,-0.00005011,- 0.00001580,-0.00012100,0.00007975,0.00148878,-0.00014598,-0.00048924,- 0.00002879,-0.00026902,-0.00227367,0.00003917,0.06252473,-0.00029909,0 .00018987,0.00035487,-0.00000443,0.00001015,-0.00002194,0.00005664,-0. 00002430,-0.00005374,-0.00030897,0.00029744,-0.00021649,0.00005663,0.0 0001241,-0.00000753,-0.00001460,0.00005820,-0.00002673,0.00002786,0.00 005716,-0.00002479,0.00077907,-0.00042564,-0.00030112,0.00007756,-0.00 021687,-0.00005331,-0.00003191,-0.00001646,0.00000266,-0.00000522,-0.0 0004065,0.00001857,-0.00006615,-0.00003454,0.00005643,0.00035313,-0.00 023855,0.00006182,-0.00000869,0.00002753,0.00001158,-0.00002323,0.0000 6102,-0.00000076,0.00010725,-0.00031674,0.00040069,-0.00050326,0.00026 281,-0.00003277,-0.00134073,-0.00255783,-0.00059122,-0.00002088,0.0003 8563,0.00072665,0.00157856,0.00459315,-0.01312288,0.00484087,0.0033490 9,0.00008041,0.00009007,-0.00071574,-0.00010844,0.00492343,0.00465129, 0.00207354,-0.00283630,0.00309915,0.01402397,0.00659259,-0.04297437,0. 00896177,-0.00005043,0.00002957,0.00001691,-0.00000846,0.00000872,-0.0 0002789,-0.00007089,0.00003057,0.00005974,0.00001298,-0.00000604,-0.00 001568,-0.00001625,0.00000901,0.00000264,0.00002584,-0.00001144,-0.000 01806,0.00000175,-0.00000112,0.00000063,-0.00000061,-0.00000319,-0.000 00041,0.00026820,-0.00069616,0.00073295,-0.00002089,-0.00001101,-0.000 02630,-0.00009864,-0.00007243,-0.00002186,0.00021970,0.00035355,-0.000 72124,-0.00048303,-0.00076360,-0.00010115,-0.00220308,-0.00308420,-0.0 0071714,-0.01161624,0.03471429,-0.00023595,0.00007169,-0.00000067,0.00 000774,-0.00000851,-0.00000911,-0.00000815,0.00000088,0.00000733,0.000 08773,-0.00029650,0.00003074,0.00000774,-0.00000780,-0.00000459,0.0000 0638,0.00001066,-0.00001529,-0.00002156,0.00000976,-0.00001009,-0.0021 4403,0.00131764,-0.00025123,-0.00013260,0.00005628,-0.00000651,-0.0000 0200,-0.00001998,0.00001188,-0.00000008,0.00001649,-0.00001018,0.00003 290,-0.00001129,0.00003374,-0.00015317,0.00008522,-0.00001940,0.000027 53,0.00002098,0.00001288,-0.00005072,0.00003830,0.00000504,-0.00012956 ,-0.00013461,0.00026809,0.00025248,0.00001563,-0.00006131,-0.00040095, 0.00007729,-0.00121850,0.00026307,-0.00001595,-0.00063974,0.00143603,0 .00082918,-0.00722005,0.00186457,-0.00025789,0.00112638,-0.00023087,-0 .00007949,0.00064229,-0.00216819,0.00218146,0.00033154,0.00518796,-0.0 0059830,-0.01300623,0.05545394,0.00814738,-0.34369157,0.00002262,-0.00 002220,0.00000067,-0.00000729,-0.00000316,-0.00000146,0.00001450,-0.00 000244,-0.00001125,-0.00000224,-0.00000042,0.00000302,0.00000498,-0.00 000513,-0.00000021,-0.00001547,0.00001019,0.00001580,-0.00000172,-0.00 000340,0.00000176,-0.00000126,0.00000333,0.,0.00001258,0.00048745,0.00 015364,0.00001056,-0.00000287,-0.00001115,-0.00001933,-0.00000635,-0.0 0001428,-0.00005186,0.00014395,-0.00034486,-0.00005805,-0.00010376,-0. 00007713,-0.00029990,-0.00053486,0.00077922,-0.05860781,-0.01136232,0. 36325288,0.00004200,-0.00001483,-0.00001861,-0.00112872,0.00110865,-0. 00012256,-0.00069617,-0.00192167,-0.00157489,0.00049852,-0.00013515,-0 .00126604,-0.00005670,0.00001401,0.00000833,0.00004438,0.00001110,0.00 006556,-0.00010653,-0.00003658,0.00003171,0.00013468,0.00008225,-0.000 13266,-0.00001366,0.00000567,-0.00000839,0.00002499,-0.00007375,0.0000 4315,-0.00001067,0.00009317,-0.00007293,0.00022774,0.00024083,-0.00039 282,-0.00223378,-0.00037340,-0.00236125,-0.00001404,-0.00001588,0.0005 5676,0.00004102,0.00010969,0.00008945,-0.00028300,-0.00004900,0.000014 37,0.00001422,0.00000134,-0.00004682,0.00005095,-0.00003636,0.00008180 ,0.00001430,-0.00000764,0.00001089,0.00003036,-0.00001037,0.00001561,- 0.00001318,0.00000658,-0.00000937,0.00000272,-0.00000196,0.00000154,-0 .00001111,0.00000801,-0.00001468,0.00001516,-0.00001034,0.00000074,-0. 00002329,0.00000806,0.00000301,-0.01173210,0.01378389,-0.00792841,-0.1 9233780,0.14157446,-0.07063184,0.00561371,-0.00195428,0.00263887,0.001 98674,0.00149977,0.00193004,-0.00037649,-0.00070167,0.00030408,0.00079 986,0.00246426,0.00416324,-0.00001029,-0.00002120,-0.00001421,0.000000 15,-0.00001758,-0.00000413,0.00035089,-0.00054010,-0.00015753,0.000108 63,0.00001910,-0.00004811,0.00001107,0.00000447,0.00000047,0.00000105, 0.00000035,0.00000457,-0.00000070,0.00000159,-0.00000205,-0.00000121,0 .00000571,-0.00000244,0.00002096,-0.00001176,0.00000797,0.19886127,0.0 0002550,-0.00002919,0.00001308,0.00026833,-0.00004274,0.00027373,-0.00 224756,-0.00200097,-0.00163867,-0.00100915,-0.00061845,0.00248532,0.00 002638,0.00000910,0.00011778,-0.00001828,0.00010481,0.00007607,-0.0001 2943,0.00000119,0.00002762,-0.00002379,-0.00003994,0.00001756,-0.00000 336,-0.00000108,-0.00000454,-0.00010040,-0.00015420,0.00003757,0.00011 609,0.00001234,-0.00004776,0.00054248,0.00040624,-0.00065049,-0.001462 39,-0.00318184,-0.00016766,0.00014976,-0.00009021,0.00063625,0.0000007 0,0.00012249,0.00001207,-0.00018896,-0.00006825,0.00003032,-0.00001014 ,-0.00000832,0.00001860,-0.00001566,-0.00000612,0.00000006,0.00000398, -0.00000002,0.00000139,-0.00000595,0.00000774,-0.00001030,0.00000123,- 0.00000279,-0.00000164,0.00000204,-0.00000155,-0.00000378,0.00000117,- 0.00000022,0.00000281,-0.00000291,0.00000008,-0.00000711,0.00000039,-0 .00000917,0.00002432,0.00637385,-0.00225932,0.00193895,0.14121985,-0.1 6610944,0.07385218,0.00748924,-0.00165584,0.00168558,0.00165940,0.0030 5845,0.00260356,-0.00096666,-0.00041135,-0.00024362,0.00304485,0.00434 250,0.00020481,-0.00001343,-0.00001414,-0.00001931,-0.00000009,0.00000 779,-0.00001053,-0.00039813,-0.00000934,0.00021273,0.00000982,-0.00002 175,-0.00003236,0.00000625,0.00001293,0.00000844,0.00000250,0.00000065 ,-0.00000236,0.00000099,0.00000074,-0.00000092,0.00000356,0.00000047,0 .00000603,-0.00000394,0.00000720,0.00000994,-0.15444476,0.16913155,-0. 00010954,0.00002555,0.00007708,0.00189389,-0.00126892,-0.00021717,-0.0 0089913,-0.00212003,0.00268413,0.00126551,0.00072134,-0.00497056,0.000 25961,-0.00003789,0.00009291,-0.00015009,0.00020944,-0.00000746,0.0000 2387,0.00010945,-0.00014240,-0.00031289,-0.00021039,0.00020325,0.00001 686,-0.00001496,0.00001787,-0.00005501,-0.00008957,0.00006120,0.000049 45,-0.00010045,0.00006942,-0.00050044,0.00018898,-0.00019796,0.0001269 3,-0.00178618,0.00066919,-0.00034039,0.00020637,0.00028507,0.00008297, -0.00006965,0.00016327,0.00025327,-0.00006506,-0.00005584,-0.00004603, -0.00000087,0.00009255,-0.00007875,0.00007328,-0.00013659,-0.00002047, 0.00001607,-0.00001568,-0.00001655,0.00000402,0.00000066,0.00001123,-0 .00000918,0.00001298,-0.00000679,0.00000225,0.00000336,0.00001043,-0.0 0000573,0.00001045,-0.00001811,0.00000333,0.00000721,0.00001356,-0.000 01858,-0.00004164,0.01145232,-0.01192322,0.01227267,-0.07156604,0.0747 0360,-0.09222777,-0.02025197,0.01819363,-0.00457004,0.00190691,0.00255 898,-0.00447675,0.00086109,-0.00070008,-0.00097601,0.00289009,0.001039 09,-0.00151920,-0.00000501,0.00000274,0.00000612,-0.00001581,0.0000465 3,0.00001967,-0.00024918,0.00063073,-0.00043598,-0.00026087,-0.0001406 3,0.00008521,-0.00000821,0.00000994,0.00000646,-0.00000266,0.00000286, -0.00000245,0.00000093,-0.00000024,0.00000435,0.00000088,0.00000560,-0 .00000460,-0.00000311,0.00004074,-0.00001144,0.07489930,-0.08128129,0. 09343588,0.00000503,0.00000219,-0.00000263,-0.00049369,-0.00014319,0.0 0185364,0.00042552,-0.00341191,0.00010727,0.00006527,-0.00008249,-0.00 013506,-0.00002430,-0.00002441,-0.00001458,0.00002586,-0.00002025,0.00 001181,-0.00000791,-0.00000873,0.00003287,0.00000171,0.00000245,-0.000 00038,-0.00000097,-0.00000051,-0.00000008,-0.00000120,0.00001197,-0.00 000451,-0.00000666,0.00003231,-0.00001787,-0.00001331,0.00002249,-0.00 002813,-0.00015029,-0.00001925,-0.00006315,-0.00002844,-0.00000755,0.0 0000846,0.00000752,-0.00000133,0.00000952,0.00000334,-0.00001563,-0.00 000059,-0.00000095,-0.00000341,-0.00000182,0.00000485,-0.00000085,0.00 000301,0.00000066,0.00000022,0.00000018,-0.00000002,0.00000095,-0.0000 0014,-0.00000006,-0.00000082,-0.00000003,-0.00000006,-0.00000018,-0.00 000044,0.,0.00000018,-0.00000022,0.00000041,-0.00000063,-0.00000060,-0 .00000093,-0.00000058,0.00000199,-0.00122086,-0.00000428,0.00020096,-0 .00152028,0.00522173,-0.00032824,0.00723785,0.00618654,-0.02046209,-0. 05332636,0.00266595,0.02926229,0.00211700,-0.00947731,0.02212248,-0.00 037477,0.00486712,0.00242571,0.00000065,-0.00000098,-0.00000447,0.0000 0304,-0.00001725,-0.00000284,0.00002621,-0.00002995,0.00000194,0.00004 726,0.00002376,-0.00001633,0.00000134,0.00000082,0.00000086,0.00000030 ,0.00000047,-0.00000019,0.00000025,0.00000029,0.00000001,0.00000037,0. 00000050,0.00000028,0.00000059,0.00000012,0.00000097,0.00027938,0.0001 8163,-0.00095538,0.04745283,-0.00000215,0.00000127,0.00000193,0.000439 15,0.00028548,-0.00081992,-0.00297075,-0.00113511,-0.00211632,-0.00011 772,-0.00008008,0.00007900,0.00000895,-0.00002700,-0.00000650,-0.00000 145,-0.00001887,0.00001846,-0.00001029,-0.00001552,0.00002712,-0.00002 540,-0.00000589,0.00000881,0.00000017,-0.00000151,0.00000017,-0.000026 16,0.00001319,-0.00001063,0.00002843,0.00001941,-0.00002300,-0.0000057 1,-0.00000483,-0.00003986,-0.00002776,-0.00017909,0.00001772,-0.000005 81,-0.00001627,0.00000874,-0.00001598,-0.00001347,0.00000128,0.0000107 7,-0.00001783,0.00001638,-0.00000393,-0.00000311,0.00000619,-0.0000039 2,0.00000293,-0.00001080,-0.00000032,0.00000108,-0.00000035,0.00000037 ,0.00000022,0.00000100,-0.00000040,-0.00000071,-0.00000009,-0.00000018 ,-0.00000025,0.00000020,0.00000018,0.00000014,0.00000024,-0.00000121,- 0.00000029,0.00000022,-0.00000038,-0.00000164,-0.00000172,0.00028596,- 0.00100296,-0.00077665,0.00550330,0.00065350,0.00211923,-0.00423282,-0 .00083117,0.01987825,0.00316300,-0.07506956,0.09627558,-0.00008104,0.0 0627859,-0.01120947,0.00451856,0.00391200,0.00046173,-0.00000079,0.000 00022,-0.00000156,0.00000311,0.00001889,-0.00000805,-0.00002358,0.0000 3738,-0.00000770,-0.00000544,-0.00001369,0.00000510,-0.00000019,0.0000 0274,0.00000108,0.00000035,0.00000056,0.00000005,0.00000020,0.00000042 ,0.00000009,0.00000041,0.00000096,0.00000006,0.00000057,0.00000305,-0. 00000025,-0.00029522,-0.00014766,0.00080309,-0.00374744,0.06944531,0.0 0000653,-0.00000199,-0.00000640,0.00037264,0.00023699,-0.00098759,-0.0 0099881,-0.00133291,0.00086300,0.00000738,0.00001326,-0.00013873,-0.00 002613,-0.00003826,0.00000812,0.00000821,-0.00003633,0.00001572,-0.000 03669,-0.00002452,0.00003714,0.00000822,0.00001535,-0.00002051,-0.0000 0327,0.00000190,-0.00000305,-0.00001444,0.00002216,-0.00001100,0.00005 405,0.00004318,-0.00002370,0.00006051,0.00000531,-0.00001215,-0.000131 53,-0.00001194,0.00000320,0.00003312,-0.00003540,0.00001967,-0.0000054 3,0.00000638,-0.00000570,-0.00003055,-0.00000172,0.00002865,0.00000255 ,0.00000146,-0.00000730,0.00000543,-0.00000545,0.00000692,0.00000374,- 0.00000237,0.00000319,0.00000678,-0.00000330,0.00000391,-0.00000309,0. 00000200,-0.00000358,0.00000128,-0.00000068,0.00000057,-0.00000255,0.0 0000173,-0.00000274,0.00000216,-0.00000126,0.00000036,-0.00000402,0.00 000238,0.00000109,-0.00032393,-0.00039518,0.00045801,-0.00103760,0.002 60459,0.00099540,0.00491152,0.00147097,-0.00810961,0.02808249,0.096823 69,-0.32088929,-0.00067139,0.00573955,-0.01113708,0.00314512,-0.000024 73,0.00181197,-0.00000222,0.00000022,-0.00000373,0.00000538,0.00002830 ,-0.00000462,0.00000337,-0.00002961,0.00001810,-0.00000908,-0.00001392 ,0.00000554,-0.00000019,0.00000067,-0.00000106,0.00000033,-0.00000019, 0.00000125,-0.00000010,0.00000027,-0.00000069,-0.00000024,0.00000022,0 .00000033,0.00000192,-0.00000266,0.00000094,0.00018879,-0.00003150,-0. 00026603,-0.03258432,-0.10388629,0.33697135,0.00000388,0.00000137,-0.0 0000340,-0.00067979,-0.00221645,-0.00156920,-0.00115269,0.00099208,-0. 00024560,-0.00002626,-0.00009530,0.00001981,-0.00000790,-0.00000930,-0 .00001296,0.00009078,-0.00007148,0.00005421,0.00000217,-0.00004801,0.0 0005733,-0.00001333,0.00000256,-0.00001460,-0.00000252,0.00000065,-0.0 0000233,-0.00003309,-0.00001423,0.00000036,-0.00008574,0.00013947,-0.0 0004376,0.00003945,0.00008805,-0.00010192,0.00028821,0.00002480,0.0002 2749,0.00001785,-0.00002774,-0.00001474,-0.00001056,-0.00000840,0.0000 0923,0.00000033,0.00000326,0.00002134,-0.00000075,-0.00000146,-0.00000 332,0.00000251,0.00000033,-0.00000053,0.00000281,-0.00000122,0.0000023 8,0.00000599,-0.00000256,0.00000438,-0.00000272,0.00000096,-0.00000332 ,0.00000088,-0.00000072,0.00000057,-0.00000203,0.00000154,-0.00000217, 0.00000071,-0.00000108,0.00000056,-0.00000370,0.00000091,-0.00000061,0 .00208865,0.00163469,0.00148295,-0.00034210,-0.00075287,0.00019630,0.0 0114464,0.00286352,0.00460976,-0.01087357,0.01355547,-0.00961541,-0.18 829245,0.14244921,-0.06453842,0.00395113,-0.00110622,0.00301675,0.0000 0485,-0.00000338,0.00000449,0.00001858,-0.00001409,-0.00010726,-0.0000 0172,-0.00005110,-0.00001211,-0.00000515,0.00000956,0.00001857,-0.0000 0041,0.00000108,-0.00000103,0.00000059,0.00000037,0.00000113,0.0000001 1,0.00000050,-0.00000051,-0.00000003,0.00000069,0.00000034,0.00000177, 0.00000011,0.00000058,-0.00004219,-0.00003369,-0.00006566,-0.00053735, -0.00235527,-0.00099453,0.19445008,-0.00000985,-0.00000071,0.00001362, -0.00262802,-0.00185138,-0.00163886,0.00043445,-0.00027260,0.00011719, -0.00003947,-0.00021703,0.00022180,-0.00001309,0.00000911,-0.00001478, 0.00003253,-0.00002497,0.00002940,0.00000139,-0.00001020,0.00002531,-0 .00003371,-0.00000946,-0.00000747,-0.00000060,-0.00000126,0.00000026,- 0.00002011,-0.00001006,-0.00000602,-0.00001742,0.00004165,0.00001438,0 .00002715,-0.00001951,-0.00006507,0.00049022,0.00024048,-0.00032444,0. 00007661,-0.00004814,0.00007289,-0.00003809,-0.00001004,0.00001961,-0. 00001243,-0.00002066,-0.00000490,-0.00000313,-0.00000747,0.00001924,-0 .00001183,0.00000914,-0.00000796,0.00000027,0.00000086,0.00000012,0.00 000151,-0.00000038,0.00000283,-0.00000079,-0.00000085,-0.00000033,-0.0 0000042,-0.00000032,0.00000034,-0.00000026,0.00000055,-0.00000081,-0.0 0000068,-0.00000092,0.00000087,-0.00000177,-0.00000096,-0.00000373,0.0 0101955,0.00298504,0.00307880,-0.00084923,-0.00038287,-0.00051155,0.00 315444,0.00492293,0.00030171,0.00409132,-0.00248869,0.00353953,0.14206 329,-0.16855736,0.07104748,0.00937981,-0.00342274,0.00149573,0.0000026 0,-0.00000187,0.00000011,0.00001270,-0.00001495,-0.00005406,0.00003750 ,-0.00004114,-0.00006035,-0.00003894,0.00000378,0.00005015,0.00000129, 0.00000355,0.00000117,0.00000044,0.00000094,0.00000031,0.00000029,0.00 000051,0.00000012,0.00000018,0.00000118,-0.00000025,0.00000107,0.00000 353,-0.00000028,-0.00003123,-0.00009713,-0.00001892,-0.00218107,-0.002 13237,-0.00113804,-0.15491179,0.17140935,0.00002448,0.00000400,-0.0000 2133,-0.00085804,-0.00223101,0.00264382,0.00121319,-0.00091424,0.00023 346,-0.00008323,0.00031601,-0.00065127,-0.00001063,-0.00003231,-0.0000 2261,0.00013130,-0.00006038,0.00005669,0.00002074,-0.00005460,0.000047 91,0.00003544,0.00000289,-0.00000504,-0.00000108,-0.00000008,-0.000001 06,-0.00002035,-0.00003734,0.00002216,-0.00016306,0.00016428,-0.000085 12,0.00001871,0.00019603,0.00005217,-0.00099523,0.00055983,0.00080731, -0.00010585,-0.00002567,-0.00001570,0.00003235,-0.00000960,-0.00000028 ,-0.00000913,0.00000863,0.00004021,0.00000223,0.00000225,-0.00003750,0 .00002073,-0.00000578,0.00001145,0.00000132,-0.00000040,0.00000066,0.0 0000415,-0.00000008,-0.00000055,-0.00000231,0.00000057,-0.00000158,0.0 0000083,-0.00000065,-0.00000070,-0.00000121,0.00000081,-0.00000074,0.0 0000139,-0.00000063,-0.00000139,-0.00000158,0.00000045,0.00000499,0.00 222957,0.00254914,-0.00522859,0.00076721,-0.00065898,-0.00099840,0.003 80284,0.00069567,-0.00125864,0.01283321,-0.01335707,0.01125660,-0.0630 2809,0.07036377,-0.09030433,-0.02189334,0.01972959,-0.00391827,0.00000 570,-0.00000707,0.00000552,-0.00003970,-0.00004247,-0.00008882,-0.0001 7341,0.00000899,0.00003760,0.00003967,0.00003887,-0.00001210,-0.000001 17,-0.00000045,-0.00000195,0.00000074,0.00000032,0.00000027,-0.0000000 9,0.00000059,-0.00000043,0.00000017,0.00000033,0.00000028,0.00000178,- 0.00000352,0.00000160,-0.00007098,-0.00001042,0.00002135,-0.00138993,- 0.00085168,0.00035133,0.06763865,-0.07623822,0.08717909,0.00004624,0.0 0003985,0.00000788,-0.00288764,-0.00001444,-0.00500440,0.00005836,-0.0 0002008,-0.00003667,0.00116908,-0.00039129,-0.00009265,-0.02769272,0.0 0968526,-0.00459644,-0.00047660,-0.00300119,0.00403597,-0.00057868,-0. 00030908,-0.00002626,0.00001918,0.00000696,-0.00001058,0.00000902,-0.0 0000405,0.00000614,-0.00126801,-0.00014710,-0.00071119,0.00121822,0.00 116957,-0.00097904,-0.25798697,0.11526221,-0.00904708,-0.00069783,0.00 155063,-0.00005038,0.00033813,-0.00102287,-0.00028904,0.00000099,0.000 20815,0.00016835,0.00011658,0.00037477,-0.00009170,-0.00003318,0.00002 937,-0.00001232,-0.00000313,0.00002652,-0.00001607,-0.00000953,0.00000 533,-0.00000915,-0.00003679,0.00000687,-0.00002728,0.00000598,-0.00000 482,0.00001207,-0.00000310,0.00000169,-0.00000602,0.00000888,-0.000006 23,0.00001109,-0.00000469,0.00000611,-0.00000603,0.00001529,-0.0000066 3,0.00001265,-0.00005930,0.00033348,0.00020585,-0.00000825,0.00001207, 0.00000555,-0.00003703,0.00002222,0.00000579,0.00000185,-0.00001763,-0 .00000639,0.00007878,0.00007949,-0.00003387,-0.00036751,0.00023835,0.0 0093888,-0.00003146,-0.00049933,0.00000702,-0.00026281,-0.00062591,0.0 0059474,-0.00012775,-0.00005002,0.00009162,-0.00001658,-0.00009080,-0. 00023643,0.00000399,-0.00000210,-0.00000065,0.00000231,0.00000166,-0.0 0000540,0.00000016,-0.00000023,0.00000103,0.00000167,-0.00000358,0.000 00115,-0.00000678,-0.00000087,-0.00000055,0.00000261,-0.00002937,-0.00 002189,-0.00000011,-0.00000893,-0.00001059,0.00000366,-0.00001024,0.00 000692,0.28973929,-0.00031588,-0.00004665,0.00018202,0.00016340,-0.000 51503,0.00258760,-0.00001090,0.00000915,-0.00001910,0.00211900,-0.0067 8538,-0.00459362,-0.02877180,0.01107785,-0.00361573,-0.00170671,-0.002 63992,0.00315446,0.00020426,0.00037961,-0.00015612,-0.00041901,-0.0002 2188,0.00024092,-0.00000631,0.00000363,-0.00000439,-0.00191034,-0.0001 0725,-0.00042070,-0.00071729,0.00057233,-0.00026687,0.12526838,-0.1195 0958,0.00787243,0.01976791,-0.00888673,0.00541991,0.00076105,-0.000087 14,0.00027307,-0.00023281,0.00016729,-0.00009193,0.00046456,-0.0002325 4,0.00023649,-0.00008520,0.00007521,0.00017511,-0.00002408,0.00002872, -0.00035442,0.00000756,-0.00000490,0.00001128,0.00005068,-0.00005285,0 .00006718,-0.00001724,0.00001478,-0.00002987,0.00000806,-0.00000405,0. 00001763,-0.00001805,0.00001333,-0.00001559,-0.00000374,-0.00000542,0. 00001535,-0.00002292,0.00000720,-0.00006281,-0.00052449,0.00039392,0.0 0030210,0.00017954,0.00003619,-0.00009840,-0.00005595,-0.00002021,0.00 012087,-0.00001444,0.00001985,-0.00002957,-0.00017589,0.00008039,0.000 02645,0.00089654,-0.00052186,-0.00121344,-0.00011210,-0.00052723,-0.00 011075,0.00032984,-0.00005363,0.00023039,0.00011756,0.00126406,-0.0008 2297,-0.00087138,-0.00044979,-0.00041879,-0.00002049,0.00003598,-0.000 00143,-0.00000206,-0.00000032,0.00001064,-0.00000097,0.00000054,-0.000 00097,-0.00000431,0.00000500,-0.00000548,0.00000385,0.00002851,-0.0000 1008,-0.00010675,-0.00006072,0.00021966,-0.00000949,0.00002316,0.00000 662,-0.00000638,0.00001260,-0.00003508,-0.12315019,0.13111112,0.000219 79,-0.00012936,-0.00009238,-0.00417679,0.00126886,-0.00210767,-0.00027 355,0.00011560,0.00017108,0.00200158,-0.00577748,-0.00185880,0.0072373 3,-0.00251230,0.00026305,-0.00127544,0.00016744,-0.00015351,0.00040507 ,-0.00033881,-0.00010364,0.00014322,0.00029583,-0.00018706,0.00000976, -0.00000676,0.00000746,0.00037652,0.00054715,-0.00000514,0.00032679,-0 .00045062,0.00058072,-0.01373080,0.00901693,-0.05143133,0.01834582,-0. 00824580,0.00267142,0.00026735,0.00074971,0.00090481,0.00007447,0.0002 2713,-0.00019793,-0.00053139,-0.00008208,0.00033588,0.00000515,-0.0000 2458,-0.00012086,-0.00007247,0.00004635,0.00015025,-0.00001080,0.00000 715,-0.00001088,-0.00003187,0.00001994,-0.00003755,0.00000115,-0.00000 541,0.00002541,-0.00000627,0.00000185,-0.00001081,0.00001467,-0.000009 79,0.00001329,-0.00000269,0.00000580,-0.00000100,0.00002371,-0.0000092 0,0.00000712,-0.00078896,0.00043507,0.00102016,0.00015070,0.00019261,- 0.00008471,0.00018009,-0.00017487,0.00004339,-0.00015797,0.00004738,0. 00000924,-0.00032194,0.00028027,0.00012359,0.00293074,-0.00108601,-0.0 0213076,0.00000039,0.00013144,0.00004501,-0.00041059,0.00006936,-0.000 13081,0.00007325,-0.00018361,-0.00064880,-0.00051159,-0.00029752,0.000 01916,0.00000266,0.00000046,-0.00000048,0.00000368,0.00000375,-0.00000 558,-0.00000024,0.00000113,0.00000093,0.00000221,-0.00000235,0.0000002 0,-0.00000529,-0.00000241,-0.00001321,-0.00008397,-0.00004912,0.000202 23,-0.00003595,0.00002716,0.00002895,0.00001120,0.00003145,-0.00007284 ,0.01523858,-0.00748436,0.05069014,-0.00037599,0.00004110,0.00004617,- 0.00006327,-0.00019704,-0.00171630,0.00011358,-0.00003288,-0.00009572, 0.00024393,-0.00096683,0.00079956,-0.00027604,-0.01996179,0.02838860,0 .00342072,0.00097607,-0.00046440,-0.00217685,-0.00195913,-0.00045905,- 0.00006015,-0.00058818,0.00032105,-0.00002241,0.00000958,-0.00001651,0 .00023020,-0.00116779,0.00119631,-0.00297149,0.00291146,-0.00044009,-0 .05493864,0.01810907,-0.04107263,0.00004289,0.00210571,0.00324548,-0.0 0022727,0.00020028,-0.00042509,0.00002311,-0.00019567,0.00009880,-0.00 075253,-0.00105084,-0.00077773,-0.00008636,0.00001582,0.00008934,0.000 11129,-0.00017969,0.00003022,0.00002450,-0.00001322,0.00002571,0.00012 692,-0.00006270,0.00009942,-0.00002847,0.00001998,-0.00006120,0.000011 83,-0.00000767,0.00002286,-0.00003673,0.00002817,-0.00003918,-0.000000 86,-0.00001834,0.00001666,-0.00006138,0.00002131,-0.00006149,0.0005617 4,0.00013473,0.00063141,-0.00007774,-0.00003862,-0.00002214,-0.0000914 5,-0.00003312,0.00003332,0.00003785,-0.00001811,0.00000196,0.00011004, 0.00003285,-0.00004480,-0.00098295,0.00040723,0.00090003,0.00004008,-0 .00000821,-0.00016886,0.00001498,-0.00031633,0.00001944,0.00044455,0.0 0075075,0.00015063,0.00000694,-0.00005430,-0.00007573,0.00000084,0.000 01268,0.00000585,-0.00000394,-0.00000360,0.00002159,-0.00000118,0.0000 0284,-0.00000443,-0.00000709,0.00001237,-0.00000473,0.00002436,0.00002 375,0.00001061,0.00003450,0.00001205,0.00002737,0.00000734,-0.00000753 ,-0.00001551,-0.00000893,-0.00000861,0.00002082,-0.00033607,0.00887423 ,-0.02568925,0.05794442,0.00046149,-0.00017074,-0.00027326,-0.00040533 ,0.00019331,0.00100547,0.00016874,-0.00003434,-0.00022326,-0.00115408, 0.00275260,0.00139693,-0.00084971,-0.01857372,0.02545103,0.00280063,0. 00161468,-0.00095992,-0.00131759,-0.00162921,-0.00038885,0.00002278,-0 .00162363,0.00056966,-0.00002116,0.00001192,-0.00002048,0.00037265,-0. 00101280,0.00042848,-0.00364466,0.00242160,0.00010143,0.01414196,-0.08 224049,0.09112333,-0.00256870,0.00758901,-0.02496116,0.00062281,0.0012 4063,0.00075393,0.00016819,-0.00014417,0.00013207,-0.00274902,-0.00146 776,-0.00087992,0.00002760,0.00000848,-0.00003678,-0.00003905,-0.00026 898,0.00052036,0.00002605,-0.00001654,0.00001960,0.00007047,-0.0000128 6,0.00004474,-0.00004373,0.00001808,-0.00000897,-0.00000126,-0.0000029 6,-0.00000824,-0.00001782,0.00001444,-0.00003298,0.00002795,-0.0000104 8,0.00000909,-0.00003781,0.00003119,-0.00000510,-0.00002567,-0.0044897 3,-0.00180411,-0.00021144,0.00056141,-0.00086503,0.00015336,0.00030489 ,0.00016203,0.00008224,-0.00002945,-0.00021219,-0.00001798,0.00008843, 0.00017755,0.00101831,-0.00024711,-0.00074546,-0.00004303,0.00004275,- 0.00002604,0.00012078,0.00016799,0.00000279,0.00036597,-0.00087451,-0. 00008037,-0.00001761,-0.00003854,0.00001645,0.00003956,-0.00001226,-0. 00000409,0.00001153,0.00000453,0.00000448,-0.00000282,0.00000610,-0.00 000769,-0.00000435,0.00000321,-0.00000126,0.00003037,-0.00004724,-0.00 000673,-0.00009824,-0.00012467,-0.00012098,-0.00001102,-0.00000538,-0. 00000023,-0.00002427,0.00001453,-0.00004930,0.00043787,-0.00496526,0.0 1297970,-0.00786599,0.10087778,-0.00014622,-0.00004278,0.00019033,-0.0 0036609,0.00005874,0.00047824,0.00018565,-0.00004093,-0.00021105,-0.00 061459,0.00189788,0.00332107,0.00079828,0.00534608,-0.00362620,-0.0011 0981,-0.00083260,0.00066986,0.00047901,-0.00020939,0.00052264,0.001022 32,0.00153358,0.00027580,-0.00002350,0.00001338,-0.00002142,0.00027760 ,0.00065735,-0.00006058,0.00012489,-0.00161479,0.00026866,-0.03331090, 0.09558702,-0.28539962,-0.00407118,0.00673212,-0.02284390,0.00064625,0 .00022586,-0.00014967,-0.00004247,-0.00018965,0.00005469,-0.00057818,0 .00108500,-0.00011236,0.00013762,-0.00022237,-0.00031218,-0.00005041,- 0.00008184,0.00057845,0.00002767,-0.00001715,0.00002203,0.00006446,-0. 00000310,0.00001321,-0.00004229,0.00000989,-0.00003050,0.00000481,-0.0 0000462,-0.00000439,-0.00002359,0.00001583,-0.00003062,0.00002335,-0.0 0001211,0.00000266,-0.00004891,0.00003123,0.00000859,0.00007140,-0.003 85914,-0.00095977,-0.00045872,0.00040438,-0.00054803,0.00006562,0.0002 1964,0.00009972,0.00007732,-0.00006065,-0.00011854,0.00001672,0.000079 14,0.00011902,0.00077328,-0.00015753,-0.00028307,-0.00000549,-0.000078 25,-0.00008541,-0.00002073,0.00004594,0.00002651,0.00056120,-0.0017252 9,-0.00042971,0.00011773,0.00003039,0.00000922,0.00002240,-0.00000146, 0.00000473,0.00001181,0.00000314,0.00001136,-0.00000164,0.00000495,-0. 00000681,-0.00000385,0.00000342,-0.00000042,0.00003404,-0.00003799,-0. 00000022,-0.00001353,-0.00007064,-0.00010840,-0.00000211,-0.00000559,- 0.00000206,-0.00001066,0.00002092,-0.00002959,-0.00002719,-0.00142784, 0.00203431,0.03543322,-0.10329917,0.30660222,0.00000056,0.00001004,-0. 00000234,0.00000390,0.00002699,-0.00001167,0.00005455,-0.00002142,-0.0 0006028,-0.00119512,-0.00176364,-0.00061409,0.00003007,0.00005251,0.00 003872,-0.00004189,0.00001372,0.00000538,0.00006522,0.00002270,-0.0000 0720,0.00008517,-0.00044207,0.00032994,-0.00000633,-0.00000175,-0.0000 0461,-0.00000651,0.00002548,-0.00001993,-0.00001503,-0.00005947,0.0000 3721,-0.00022226,0.00028252,-0.00014593,-0.00031451,-0.00047745,0.0005 6260,0.00110881,0.00061914,0.00085383,-0.22730257,0.12751101,-0.048706 65,-0.00011429,0.00051186,-0.00048214,0.00004902,0.00006533,-0.0000246 7,-0.00006965,-0.00010347,0.00022519,0.00000659,0.00000047,0.00000353, 0.00000204,-0.00001037,-0.00001370,-0.00000844,-0.00000071,0.00000682, -0.00000113,0.00000006,-0.00000372,0.00000207,0.00000176,-0.00000137,0 .00000550,-0.00000897,-0.00000194,-0.00001769,-0.00002442,0.00001139,- 0.00008367,0.00021034,0.00007542,0.00003565,0.00008180,-0.00005276,-0. 00004454,0.00003721,0.00012301,-0.00002367,0.00002373,-0.00002317,-0.0 0000564,0.00002277,-0.00006239,0.00003641,-0.00006020,0.00005673,0.000 00231,0.00000143,-0.00000038,0.00000078,-0.00000604,0.00000068,0.00001 263,-0.00002364,-0.00063633,0.00066077,-0.00085463,-0.00001781,0.00001 822,0.00000934,0.00002111,0.00000259,0.00000294,-0.00000063,-0.0000000 6,0.00000194,-0.00000077,0.00000301,0.00000544,-0.00000030,0.00004284, 0.00003140,-0.00000527,-0.00005102,-0.00005311,0.00006764,-0.00000385, 0.00000376,-0.00000502,-0.00000289,-0.00000148,-0.00000563,0.00007751, 0.00012893,0.00008007,0.00002880,-0.00001136,-0.00001453,0.24318137,0. 00004741,-0.00002306,0.00011049,-0.00036590,-0.00012594,0.00037203,0.0 0000697,0.00001550,-0.00003314,-0.00096881,0.00234560,0.00025840,-0.00 002937,0.00000061,-0.00000683,-0.00004051,0.00004427,0.00002594,0.0000 0122,0.00003808,-0.00003442,-0.00039875,0.00006458,0.00022393,-0.00000 365,-0.00000200,-0.00000245,-0.00004287,-0.00001774,0.00000745,0.00001 918,-0.00002453,0.00001314,-0.00015146,0.00009787,-0.00005908,0.003542 90,-0.00069808,0.00090971,0.02138687,-0.01791367,0.00452889,0.12514917 ,-0.13482806,0.03562516,-0.00005416,-0.00007504,0.00179134,-0.00020616 ,0.00013528,0.00010415,-0.00001802,0.00026430,-0.00052645,0.00000398,0 .00000002,0.00000560,0.00002511,-0.00003682,0.00002254,-0.00001132,0.0 0001114,-0.00002073,0.00000979,-0.00000572,0.00000818,-0.00000741,0.00 000681,-0.00000077,-0.00000705,-0.00000339,0.00000801,-0.00000893,-0.0 0001227,-0.00002843,-0.00029004,-0.00005684,0.00008765,0.00008788,-0.0 0010377,-0.00004178,-0.00002482,0.00000306,0.00019660,-0.00005487,0.00 003783,-0.00001847,-0.00007940,0.00008693,-0.00008937,0.00046909,-0.00 012746,-0.00039920,-0.00000164,-0.00000272,0.00000090,0.00000196,0.000 00584,-0.00000493,-0.00035212,-0.00035525,-0.00106120,-0.00058321,-0.0 0347846,-0.00396027,-0.00005373,-0.00000496,-0.00002715,-0.00000065,0. 00000100,0.00000358,0.00000015,0.00000060,-0.00000014,0.00000240,0.000 00530,-0.00000029,-0.00000231,0.00003656,-0.00001660,-0.00018110,-0.00 009480,0.00015151,-0.00001352,0.00001316,-0.00000420,0.00000063,0.0000 1175,-0.00001867,-0.00005666,0.00028734,0.00016515,0.00000801,-0.00002 120,-0.00003698,-0.13813838,0.14780436,-0.00008706,0.00004461,0.000030 13,-0.00010616,-0.00015538,0.00016039,0.00006102,-0.00005101,-0.000026 34,-0.00044549,0.00022173,-0.00058430,-0.00003821,0.00004391,-0.000027 13,-0.00001018,-0.00000998,0.00000605,-0.00000486,0.00000392,-0.000008 16,-0.00024647,0.00033122,0.00053905,0.00001600,-0.00001013,0.00001197 ,-0.00001561,-0.00000536,0.00000125,0.00001239,0.00001078,-0.00000111, 0.00011753,0.00006298,-0.00000668,0.00031363,0.00046770,0.00079081,0.0 1719880,-0.01264712,0.00281320,-0.04980933,0.03723440,-0.06254976,0.00 188430,-0.00080493,0.00185428,-0.00013784,-0.00000569,0.00027058,-0.00 004682,0.00034445,-0.00054069,-0.00001766,0.00000977,-0.00000946,-0.00 003225,-0.00002957,0.00003417,0.00001622,0.00000193,-0.00000440,0.0000 0247,-0.00000150,0.00001227,0.00000580,-0.00000528,0.00001515,-0.00002 461,0.00001456,0.00001572,0.00003550,-0.00000065,-0.00004328,-0.000131 35,0.00008152,-0.00010737,-0.00010230,0.00000272,0.00004169,-0.0001136 7,0.00005532,-0.00004635,0.00003773,-0.00003476,0.00000914,0.00000942, -0.00001908,0.00015804,0.00023982,0.00002422,-0.00022605,-0.00000105,- 0.00000112,0.00000182,0.00000119,0.00000462,0.00000061,-0.00050101,-0. 00056686,-0.00035948,-0.00031236,-0.00362285,-0.00226066,-0.00006448,- 0.00002858,-0.00002720,-0.00000442,-0.00000064,-0.00000191,0.00000161, -0.00000210,0.00000385,0.00000307,-0.00000226,0.00000181,-0.00006690,0 .00001579,-0.00003529,0.00012051,0.00009993,0.00004038,0.00000440,-0.0 0000047,0.00000558,-0.00000502,-0.00001472,-0.00000685,0.00000939,0.00 010625,0.00005753,-0.00000948,-0.00003246,-0.00003699,0.05354868,-0.03 465867,0.06500227,0.00018157,-0.00002286,-0.00033183,0.00007786,-0.000 06493,-0.00003857,-0.00007909,0.00002365,0.00008048,0.00007324,-0.0015 5872,-0.00042558,-0.00003018,0.00003853,-0.00000009,0.00002927,-0.0000 3311,0.00000293,-0.00002821,-0.00002688,0.00000049,-0.00013418,0.00042 669,-0.00045814,0.00000509,0.00000301,0.00000228,0.00002480,0.00000271 ,0.00000180,0.00001754,0.00005611,-0.00002643,0.00022614,0.00022800,0. 00006030,-0.00033793,0.00138422,0.00047709,0.00226229,0.00288361,-0.00 023013,-0.24144398,-0.12456538,0.03114839,0.00038525,-0.00012988,0.000 56238,0.00007257,-0.00001297,-0.00013933,0.00003026,-0.00011633,0.0000 1227,-0.00000515,-0.00000129,-0.00000456,-0.00001831,0.00000850,-0.000 02557,0.00000692,0.00000126,-0.00000027,0.00000080,0.00000183,-0.00000 459,0.00000029,-0.00000320,0.00000481,-0.00000032,0.00001070,-0.000009 30,0.00001220,0.00000826,0.00002708,-0.00000334,0.00008101,-0.00000668 ,-0.00002236,-0.00004165,-0.00002064,0.00011010,-0.00003048,-0.0001381 1,-0.00000990,0.00000435,0.00002564,0.00003166,-0.00002416,0.00000737, -0.00011749,0.00007075,0.00006585,-0.00000202,0.00000028,0.00000067,-0 .00000189,0.00001097,0.00000529,0.00004348,0.00008553,0.00039559,0.000 53027,-0.00031195,-0.00038635,-0.00000170,0.00001749,-0.00001001,-0.00 000082,-0.00000377,-0.00000118,-0.00000089,-0.00000197,-0.00000054,-0. 00000195,-0.00000575,0.00000195,-0.00001379,-0.00002916,0.00001772,0.0 0009948,0.00005541,-0.00004731,0.00000296,-0.00000649,0.00000607,0.000 00098,-0.00000676,0.00000471,0.00001217,-0.00004211,-0.00001639,-0.000 01056,-0.00003174,-0.00002316,-0.01895712,-0.01516356,0.00460490,0.257 31463,0.00007861,0.00000584,-0.00023574,0.00015893,-0.00003932,-0.0000 3643,-0.00008784,0.00003538,0.00008743,0.00023477,0.00150528,0.0002713 2,-0.00025176,-0.00070933,-0.00038473,0.00021923,-0.00004538,0.0000124 8,-0.00030644,-0.00006857,0.00000349,0.00011995,0.00060691,-0.00047691 ,0.00001502,-0.00000818,0.00001258,-0.00002856,-0.00018555,0.00013009, 0.00005334,0.00028495,-0.00025320,-0.00129839,-0.00007438,0.00080873,0 .00260836,-0.00425143,-0.00357120,-0.02193206,-0.01483343,0.00320285,- 0.12391848,-0.12716908,0.02094204,-0.00038201,0.00005344,0.00143777,0. 00021438,0.00001548,-0.00013665,-0.00019847,-0.00020166,0.00025423,-0. 00001824,0.00001144,-0.00001740,-0.00006150,0.00002031,-0.00010032,0.0 0002098,-0.00000673,0.00003320,-0.00001380,0.00000560,-0.00001498,0.00 002542,-0.00001652,0.00002190,-0.00000733,0.00000837,-0.00000727,0.000 03395,-0.00001626,0.00002469,0.00012214,0.00009602,-0.00069464,0.00016 119,-0.00007945,0.00001386,0.00009285,-0.00004644,-0.00005459,-0.00003 933,0.00002423,0.00005635,0.00004417,-0.00000196,-0.00004911,-0.000241 45,0.00017061,0.00005205,-0.00001355,-0.00000372,0.00001513,-0.0000027 2,0.00001124,0.00000269,-0.00008753,-0.00023133,0.00002280,0.00020198, 0.00065878,0.00076096,-0.00000068,-0.00000551,0.00000324,-0.00000248,- 0.00000050,-0.00000678,0.00000029,-0.00000150,0.00000292,0.00000369,-0 .00000397,0.00000146,-0.00000498,0.00000043,-0.00000861,-0.00004100,-0 .00003810,0.00001856,-0.00000709,-0.00000465,0.00000094,-0.00000272,-0 .00001929,0.00001698,-0.00002677,0.00002805,0.00008143,-0.00000205,-0. 00002373,-0.00006477,0.01563054,0.01183053,-0.00339219,0.13577881,0.13 783660,0.00008911,-0.00001080,-0.00001633,-0.00021855,0.00005510,0.000 17236,0.00006223,-0.00001614,-0.00005701,0.00011021,-0.00016964,0.0000 5431,-0.00012759,-0.00046837,-0.00025059,0.00013853,-0.00003342,0.0000 1670,-0.00020972,-0.00005315,0.00003563,0.00011991,0.00051530,-0.00033 139,0.00002201,-0.00001363,0.00002009,-0.00001025,-0.00012461,0.000072 71,0.00001861,0.00016710,-0.00014641,-0.00089739,-0.00023064,0.0006513 6,0.00082056,-0.00312109,-0.00304147,-0.01791802,-0.01112774,0.0004815 0,0.03257958,0.02187068,-0.05284742,-0.00116148,-0.00077321,0.00109858 ,0.00015401,-0.00003855,0.00006774,-0.00017503,-0.00006118,0.00014558, -0.00002638,0.00001763,-0.00002545,-0.00009142,0.00003247,-0.00009189, 0.00003246,-0.00001463,0.00004007,-0.00001595,0.00000619,-0.00001560,0 .00002809,-0.00001966,0.00002735,-0.00001231,0.00001406,-0.00001237,0. 00004308,-0.00001774,0.00003295,0.00035078,0.00050110,-0.00040770,-0.0 0006285,0.00033219,0.00016129,-0.00007237,-0.00003334,0.00026580,-0.00 007306,0.00002528,0.00000179,0.00001818,-0.00002639,-0.00006406,0.0004 3658,-0.00027282,0.00005944,-0.00000815,-0.00000548,0.00000780,0.00000 758,-0.00000927,-0.00001201,0.00003512,-0.00000456,0.00026220,0.000360 99,0.00080061,0.00059430,0.00002178,-0.00000775,0.00000832,-0.00000105 ,0.00000039,-0.00001292,0.00000131,-0.00000228,0.00000453,0.00000436,- 0.00000498,0.00000231,-0.00001902,-0.00000329,0.00000467,-0.00007973,- 0.00003765,-0.00006802,0.00000066,0.00000906,-0.00000148,0.00000007,0. 00000970,0.00000085,0.00000240,-0.00000195,0.00004284,-0.00002706,0.00 006010,0.00000832,-0.00624127,-0.00460627,-0.00020749,-0.03476573,-0.0 1926866,0.05514275,-0.00012095,0.00001962,-0.00017889,-0.00039249,0.00 014161,0.00032418,0.00009608,0.00000385,-0.00009717,-0.00021166,-0.000 37443,0.00049718,-0.00001794,0.00003892,0.00001326,-0.00000754,-0.0000 0259,0.00000187,0.00000688,0.00001082,0.00001625,0.00019648,0.00013867 ,-0.00038342,0.00000101,-0.00000282,0.00000253,-0.00001467,-0.00000288 ,-0.00001343,0.00000447,-0.00003354,0.00001070,0.00003487,-0.00006938, 0.00007507,0.00012842,0.00018452,-0.00082760,-0.00117324,0.00020342,0. 00114450,-0.04945781,-0.00370184,0.01351849,0.00067708,0.00035232,0.00 004800,0.00029697,-0.00010360,-0.00005273,-0.00024276,-0.00031546,0.00 040542,-0.00000270,0.00000421,-0.00000673,-0.00005917,0.00000686,-0.00 006785,0.00001209,-0.00000947,0.00002590,-0.00001239,0.00000951,-0.000 01311,0.00001275,-0.00000680,0.00000241,0.00000490,-0.00000267,-0.0000 1124,-0.00000105,-0.00001031,0.00003337,0.00022179,-0.00074029,-0.0003 0630,-0.00035736,0.00001553,0.00022098,-0.00013448,-0.00002638,0.00036 357,0.00002120,-0.00003455,-0.00003151,-0.00012373,0.00002149,-0.00012 569,0.00038985,-0.00041859,-0.00024274,0.00000099,-0.00000138,-0.00000 147,0.00000447,-0.00001261,-0.00001232,0.00021646,0.00033778,0.0001774 7,0.00009991,-0.00027043,0.00028108,0.00002335,0.00005896,0.00001340,0 .00000184,0.00000073,-0.00000377,0.00000013,0.00000015,0.00000007,0.00 000221,0.00000070,0.00000176,0.00002390,0.00000626,0.00001742,-0.00016 871,-0.00003626,-0.00010683,-0.00000517,0.00001703,-0.00000640,0.00000 726,0.00004239,-0.00000475,0.00000256,0.00001393,0.00000823,-0.0000070 4,0.00004414,0.00003309,0.00297147,0.00654766,-0.02590983,-0.00033066, -0.00684138,0.02675617,0.04738214,0.00045867,-0.00014476,-0.00038411,- 0.00011012,0.00001928,0.00012032,0.00027882,-0.00013570,-0.00019124,-0 .00005562,0.00009305,0.00037320,0.00001982,0.00007591,0.00008840,-0.00 000506,0.00000240,0.00002356,0.00003509,0.00000356,0.00002668,-0.00065 538,0.00029116,-0.00027520,-0.00002054,0.00001372,-0.00001854,-0.00001 245,0.00000989,-0.00002433,-0.00003109,-0.00002574,0.00003180,0.000319 53,0.00003804,0.00001678,0.00005808,0.00118267,0.00002945,0.00144876,0 .00681384,-0.02837783,-0.00354720,-0.07047291,0.07862238,-0.00048724,- 0.00460975,-0.00135467,-0.00028627,0.00037508,-0.00064750,0.00048382,0 .00023430,-0.00035426,0.00002413,-0.00001793,0.00002871,0.00017052,-0. 00002656,0.00010732,-0.00005298,0.00002295,-0.00007904,0.00003136,-0.0 0002425,0.00002330,-0.00004442,0.00002567,-0.00002085,0.00000075,-0.00 000052,0.00001544,-0.00002656,0.00002731,-0.00006012,-0.00060890,-0.00 066741,-0.00021620,-0.00056483,-0.00034136,0.00046102,-0.00044765,0.00 021435,-0.00002428,0.00016329,-0.00012976,-0.00000569,-0.00003829,0.00 001340,0.00031329,0.00033867,-0.00041668,-0.00021284,0.00000431,-0.000 00213,-0.00000397,0.00001194,-0.00002468,-0.00001587,0.00018170,-0.000 03564,-0.00028864,0.00026123,0.00137501,0.00078984,-0.00000830,0.00017 189,0.00003547,0.00000133,-0.00000061,0.00002577,-0.00000174,0.0000036 3,-0.00000484,-0.00000883,0.00000554,-0.00000637,-0.00000213,-0.000021 79,-0.00001392,0.00008886,0.00007304,-0.00000452,0.00001942,0.00001529 ,-0.00000549,-0.00001209,-0.00000615,-0.00001430,0.00000196,0.00002255 ,-0.00004364,0.00004816,0.00012021,0.00009071,-0.00327255,-0.00513654, 0.01692105,0.00105343,-0.00512353,0.01616193,0.00479658,0.07612068,-0. 00004169,-0.00018377,-0.00020703,-0.00029280,0.00004770,0.00020148,0.0 0014411,-0.00006115,-0.00013731,-0.00049105,-0.00038826,0.00028861,-0. 00000975,0.00003993,0.00005869,0.00001798,-0.00002124,0.00004423,-0.00 002654,-0.00002770,0.00004364,0.00017605,-0.00051111,0.00052532,-0.000 04045,0.00002615,-0.00003598,-0.00000705,-0.00001793,-0.00000844,-0.00 002448,0.00001804,-0.00000404,0.00008366,-0.00004636,0.00000461,0.0005 5125,0.00090077,-0.00056452,0.00065720,0.00497609,-0.01782536,0.012843 63,0.07659515,-0.30277881,-0.00023635,-0.00325542,-0.00136141,-0.00026 165,0.00033198,-0.00059613,0.00053426,0.00002513,-0.00034504,0.0000475 2,-0.00003174,0.00004564,0.00019344,-0.00005139,0.00013420,-0.00006690 ,0.00003337,-0.00008832,0.00003441,-0.00002046,0.00002451,-0.00005594, 0.00003522,-0.00004117,0.00002293,-0.00001631,0.00001221,-0.00006791,0 .00003168,-0.00003923,0.00020010,0.00092401,0.00006230,0.00005707,0.00 053010,0.00023556,-0.00012885,0.00002780,0.00039416,-0.00010290,0.0000 0017,-0.00014892,0.00000877,-0.00006168,0.00002793,0.00073254,-0.00028 695,0.00019389,0.00000180,-0.00000461,-0.00000391,0.00001281,-0.000026 30,-0.00002070,0.00032553,0.00021444,-0.00006543,0.00013884,0.00021884 ,0.00068316,-0.00000040,0.00014283,0.00002915,0.00000351,-0.00000029,0 .00002905,-0.00000335,0.00000404,-0.00000908,-0.00000988,0.00000772,-0 .00000544,0.00003854,-0.00001875,0.00000089,-0.00012285,-0.00007504,-0 .00009296,0.00000277,0.00000895,-0.00000221,-0.00000939,-0.00000428,-0 .00000962,-0.00000781,0.00001586,-0.00004243,0.00005493,0.00009480,0.0 0008990,0.00111854,0.00103614,-0.00476078,-0.00040559,0.00048198,-0.00 187451,-0.01558860,-0.08165816,0.32793969\\0.00000047,0.00000153,0.000 00153,-0.00000038,0.00000079,0.00000081,-0.00000245,-0.00000162,-0.000 00121,-0.00000035,-0.00000114,0.00000019,0.00000018,-0.00000097,-0.000 00037,0.00000127,-0.00000144,-0.00000124,0.00000162,-0.00000117,-0.000 00141,0.00000031,0.00000048,0.00000052,0.00000019,0.00000025,-0.000001 89,0.00000141,-0.00000051,-0.00000215,0.00000144,-0.00000034,-0.000001 30,0.00000058,0.00000067,-0.00000022,-0.00000097,0.00000047,-0.0000002 6,-0.00000097,0.00000014,0.00000140,-0.00000174,0.00000063,0.00000091, -0.00000032,0.00000108,0.00000090,0.00000126,0.00000144,0.00000158,-0. 00000030,0.00000108,0.00000083,0.00000260,-0.00000124,0.00000092,0.000 00124,0.00000038,0.00000004,0.00000144,0.00000069,0.00000142,0.0000012 0,0.00000093,-0.00000093,0.00000036,0.00000021,-0.00000008,0.00000043, -0.00000006,-0.00000113,-0.00000045,0.00000021,0.00000014,-0.00000012, -0.00000034,-0.00000075,-0.00000199,-0.00000060,-0.00000034,-0.0000018 5,-0.00000142,-0.00000017,-0.00000162,-0.00000055,-0.00000109,-0.00000 096,-0.00000039,0.00000034,-0.00000033,-0.00000035,0.00000046,0.000001 41,-0.00000175,-0.00000241,0.00000111,-0.00000020,-0.00000049,-0.00000 031,-0.00000008,-0.00000084,-0.00000028,0.00000084,0.00000109,0.000001 09,0.00000189,0.00000164,0.00000187,0.00000135,0.00000092,0.00000185,0 .00000088,0.00000093,-0.00000004,-0.00000086,-0.00000073,-0.00000033,- 0.00000027,-0.00000025,-0.00000131,-0.00000129,-0.00000081,-0.00000206 ,-0.00000115,0.,-0.00000112,0.00000023,0.00000021,0.00000120,0.0000003 6,0.00000017,0.00000116,0.00000018,0.00000004,-0.00000159,-0.00000007, 0.00000070,-0.00000179,0.00000097,0.00000152,-0.00000206,0.00000016,0. 00000085\\\@ THOSE WHO ASPIRE NOT TO GUESS AND DIVINE, BUT TO DISCOVER AND KNOW, WHO PROPOSE NOT TO DEVISE MIMIC AND FABULOUS WORLDS OF THEIR OWN, BUT TO EXAMINE AND DISSECT THE NATURE OF THIS VERY WORLD ITSELF, MUST GO TO THE FACTS THEMSELVES FOR EVERYTHING. -- FRANCIS BACON, 1620 Job cpu time: 0 days 5 hours 33 minutes 59.5 seconds. Elapsed time: 0 days 1 hours 23 minutes 36.5 seconds. File lengths (MBytes): RWF= 1624 Int= 0 D2E= 0 Chk= 22 Scr= 1 Normal termination of Gaussian 16 at Sat Mar 9 01:03:26 2024.