Entering Gaussian System, Link 0=g09 Initial command: /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l1.exe /work/etsmei/dmendive/B3LYP_631g2_FreqHP_S0_NoSymm_input0601-110822/Gau-24125.inp -scrdir=/work/etsmei/dmendive/B3LYP_631g2_FreqHP_S0_NoSymm_input0601-110822/ Entering Link 1 = /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l1.exe PID= 24126. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on 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 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: ES64L-G09RevD.01 24-Apr-2013 27-Oct-2014 ****************************************** %rwf=B3LYP_631g2_FreqHP_S0_NoSymm_input0601-110821.rwf,1024GB %Mem=8000MB %NprocShared=8 Will use up to 8 processors via shared memory. ------------------------------------- #P B3LYP/6-31G* # Freq=HPModes NoSymm ------------------------------------- 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=1,11=2,16=1,25=1,30=1,71=2,74=-5,140=1/1,2,3; 4//1; 5/5=2,38=5,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=1,31=1/2; 6/7=2,8=2,9=2,10=2,18=1,28=1/1; 7/8=11,10=1,25=1,30=1/1,2,3,16; 1/10=4,30=1/3; 99//99; Leave Link 1 at Mon Oct 27 13:39:47 2014, MaxMem= 1048576000 cpu: 0.2 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l101.exe) ---------------------------------------------------------------------- B3LYP_631g2_Opt_S0_NoSymm_input0601.dat, no previous checkpoint file, 27/10/2014 ---------------------------------------------------------------------- Symbolic Z-matrix: Charge = 1 Multiplicity = 1 6 -4.51744 -0.23037 1.16042 6 -3.45607 -1.99371 -0.04862 6 -4.73655 -2.10161 -0.87614 6 -5.31503 -0.71041 -1.14692 6 -5.29674 0.10348 0.12127 1 -5.46143 -2.659 -0.25475 1 -4.67982 -0.22315 -1.89726 1 -5.85482 1.03507 0.13893 1 -3.08528 -2.99084 0.20005 8 -3.74905 -1.37286 1.22521 8 -2.48846 -1.21901 -0.693 8 -4.42138 -2.80405 -2.0504 1 -5.17097 -2.70009 -2.66111 8 -6.59217 -0.79537 -1.76574 1 -7.22011 -1.17175 -1.12588 6 -4.1702 0.73411 2.26218 8 -5.11721 1.32654 2.97896 8 -2.99815 1.02724 2.4429 6 -6.48509 0.85984 3.0165 1 -7.07886 1.39322 2.27072 1 -6.5422 -0.2171 2.84826 1 -6.84384 1.10501 4.016 6 -0.2834 -0.72447 -1.54924 6 1.44201 -0.67247 0.15276 6 0.98481 -2.11133 0.45335 6 -0.54272 -2.09889 0.58126 6 -1.16445 -1.76614 -0.80737 1 0.36934 -1.26379 -2.23965 1 1.42801 -2.42218 1.40864 1 -0.87193 -3.09484 0.90182 1 -1.21122 -2.67416 -1.41485 1 1.50564 -0.11596 1.08378 8 0.50161 0.04747 -0.63624 8 2.70889 -0.72813 -0.45823 8 1.30241 -3.02339 -0.58291 1 2.26869 -3.03451 -0.66849 8 -0.86133 -1.12546 1.57039 1 -1.81813 -1.1614 1.75897 6 -1.12753 0.22256 -2.40091 8 -1.37268 1.41056 -1.79601 8 -1.53248 -0.07486 -3.49616 6 -2.13864 2.34041 -2.59916 1 -1.63193 2.52475 -3.54821 1 -3.13551 1.93965 -2.79597 1 -2.19876 3.25666 -2.01136 6 4.02112 1.27504 0.33217 6 6.03154 0.03944 0.19069 6 5.5433 -0.67831 -1.08175 6 4.443 0.12301 -1.80126 6 3.32887 0.52166 -0.82238 1 4.58437 2.09594 -0.14367 1 5.13762 -1.65761 -0.7894 1 4.89317 1.03412 -2.20836 1 2.59303 1.16229 -1.31633 1 6.62159 -0.63576 0.82096 8 4.93067 0.41378 1.00483 8 6.76199 1.19206 -0.14649 1 7.2627 0.96873 -0.95406 8 6.67928 -0.82464 -1.91879 1 6.35541 -1.08471 -2.79871 8 3.96002 -0.59812 -2.92224 1 3.37478 -1.29116 -2.57158 6 3.11533 1.97067 1.35488 8 3.6514 2.54485 2.42088 8 1.90825 2.07529 1.17968 6 5.07417 2.63599 2.69621 1 5.40779 1.72579 3.19337 1 5.65461 2.79741 1.78744 1 5.16499 3.49368 3.36259 19 -0.73803 1.67889 1.13011 NAtoms= 70 NQM= 70 NQMF= 0 NMMI= 0 NMMIF= 0 NMic= 0 NMicF= 0. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 12 12 12 12 12 1 1 1 1 16 AtmWgt= 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 NucSpn= 0 0 0 0 0 1 1 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460 0.0000000 AtZNuc= 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 1.0000000 1.0000000 1.0000000 1.0000000 8.0000000 Atom 11 12 13 14 15 16 17 18 19 20 IAtWgt= 16 16 1 16 1 12 16 16 12 1 AtmWgt= 15.9949146 15.9949146 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 NucSpn= 0 0 1 0 1 0 0 0 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 AtZNuc= 8.0000000 8.0000000 1.0000000 8.0000000 1.0000000 6.0000000 8.0000000 8.0000000 6.0000000 1.0000000 Atom 21 22 23 24 25 26 27 28 29 30 IAtWgt= 1 1 12 12 12 12 12 1 1 1 AtmWgt= 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 1 1 0 0 0 0 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 AtZNuc= 1.0000000 1.0000000 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 1.0000000 1.0000000 1.0000000 Atom 31 32 33 34 35 36 37 38 39 40 IAtWgt= 1 1 16 16 16 1 16 1 12 16 AtmWgt= 1.0078250 1.0078250 15.9949146 15.9949146 15.9949146 1.0078250 15.9949146 1.0078250 12.0000000 15.9949146 NucSpn= 1 1 0 0 0 1 0 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 0.0000000 AtZNuc= 1.0000000 1.0000000 8.0000000 8.0000000 8.0000000 1.0000000 8.0000000 1.0000000 6.0000000 8.0000000 Atom 41 42 43 44 45 46 47 48 49 50 IAtWgt= 16 12 1 1 1 12 12 12 12 12 AtmWgt= 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 NucSpn= 0 0 1 1 1 0 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 AtZNuc= 8.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 Atom 51 52 53 54 55 56 57 58 59 60 IAtWgt= 1 1 1 1 1 16 16 1 16 1 AtmWgt= 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 15.9949146 1.0078250 15.9949146 1.0078250 NucSpn= 1 1 1 1 1 0 0 1 0 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 AtZNuc= 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 8.0000000 8.0000000 1.0000000 8.0000000 1.0000000 Atom 61 62 63 64 65 66 67 68 69 70 IAtWgt= 16 1 12 16 16 12 1 1 1 39 AtmWgt= 15.9949146 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 38.9637079 NucSpn= 0 1 0 0 0 0 1 1 1 3 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 5.8500000 NMagM= 0.0000000 2.7928460 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 0.3914660 AtZNuc= 8.0000000 1.0000000 6.0000000 8.0000000 8.0000000 6.0000000 1.0000000 1.0000000 1.0000000 19.0000000 Leave Link 101 at Mon Oct 27 13:39:47 2014, MaxMem= 1048576000 cpu: 0.8 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Mon Oct 27 13:39:47 2014, MaxMem= 1048576000 cpu: 0.1 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l202.exe) Symmetry turned off by external request. Stoichiometry C21H30KO18(1+) Framework group C1[X(C21H30KO18)] Deg. of freedom 204 Full point group C1 NOp 1 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -4.517441 -0.230370 1.160424 2 6 0 -3.456073 -1.993714 -0.048620 3 6 0 -4.736550 -2.101614 -0.876137 4 6 0 -5.315029 -0.710413 -1.146922 5 6 0 -5.296741 0.103483 0.121269 6 1 0 -5.461430 -2.658996 -0.254752 7 1 0 -4.679817 -0.223154 -1.897257 8 1 0 -5.854823 1.035071 0.138925 9 1 0 -3.085279 -2.990836 0.200049 10 8 0 -3.749050 -1.372855 1.225205 11 8 0 -2.488464 -1.219009 -0.693003 12 8 0 -4.421384 -2.804050 -2.050404 13 1 0 -5.170973 -2.700085 -2.661108 14 8 0 -6.592171 -0.795367 -1.765736 15 1 0 -7.220114 -1.171753 -1.125879 16 6 0 -4.170198 0.734106 2.262181 17 8 0 -5.117205 1.326538 2.978962 18 8 0 -2.998150 1.027237 2.442898 19 6 0 -6.485086 0.859843 3.016499 20 1 0 -7.078861 1.393217 2.270724 21 1 0 -6.542203 -0.217095 2.848261 22 1 0 -6.843836 1.105008 4.016002 23 6 0 -0.283401 -0.724470 -1.549243 24 6 0 1.442006 -0.672465 0.152758 25 6 0 0.984814 -2.111328 0.453352 26 6 0 -0.542715 -2.098888 0.581255 27 6 0 -1.164446 -1.766137 -0.807365 28 1 0 0.369337 -1.263793 -2.239654 29 1 0 1.428007 -2.422181 1.408638 30 1 0 -0.871927 -3.094835 0.901815 31 1 0 -1.211218 -2.674163 -1.414846 32 1 0 1.505638 -0.115961 1.083776 33 8 0 0.501614 0.047473 -0.636236 34 8 0 2.708894 -0.728127 -0.458231 35 8 0 1.302408 -3.023392 -0.582911 36 1 0 2.268690 -3.034511 -0.668485 37 8 0 -0.861325 -1.125463 1.570393 38 1 0 -1.818133 -1.161399 1.758966 39 6 0 -1.127529 0.222559 -2.400913 40 8 0 -1.372677 1.410562 -1.796011 41 8 0 -1.532483 -0.074860 -3.496161 42 6 0 -2.138636 2.340412 -2.599160 43 1 0 -1.631925 2.524752 -3.548207 44 1 0 -3.135505 1.939653 -2.795969 45 1 0 -2.198755 3.256656 -2.011361 46 6 0 4.021117 1.275045 0.332172 47 6 0 6.031543 0.039443 0.190688 48 6 0 5.543303 -0.678311 -1.081753 49 6 0 4.443000 0.123005 -1.801264 50 6 0 3.328866 0.521663 -0.822383 51 1 0 4.584367 2.095938 -0.143670 52 1 0 5.137625 -1.657611 -0.789402 53 1 0 4.893168 1.034117 -2.208359 54 1 0 2.593030 1.162293 -1.316327 55 1 0 6.621588 -0.635763 0.820957 56 8 0 4.930666 0.413778 1.004831 57 8 0 6.761993 1.192056 -0.146492 58 1 0 7.262699 0.968728 -0.954063 59 8 0 6.679282 -0.824640 -1.918792 60 1 0 6.355406 -1.084709 -2.798714 61 8 0 3.960022 -0.598121 -2.922243 62 1 0 3.374783 -1.291158 -2.571579 63 6 0 3.115333 1.970673 1.354877 64 8 0 3.651401 2.544846 2.420878 65 8 0 1.908245 2.075288 1.179679 66 6 0 5.074174 2.635991 2.696207 67 1 0 5.407787 1.725790 3.193373 68 1 0 5.654605 2.797408 1.787439 69 1 0 5.164993 3.493677 3.362589 70 19 0 -0.738031 1.678888 1.130111 --------------------------------------------------------------------- Rotational constants (GHZ): 0.1642403 0.0500473 0.0442758 Leave Link 202 at Mon Oct 27 13:39:47 2014, MaxMem= 1048576000 cpu: 0.0 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l301.exe) Standard basis: 6-31G(d) (6D, 7F) Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. 668 basis functions, 1288 primitive gaussians, 668 cartesian basis functions 159 alpha electrons 159 beta electrons nuclear repulsion energy 5850.4089151109 Hartrees. IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NAtoms= 70 NActive= 70 NUniq= 70 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=T Big=T Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. Leave Link 301 at Mon Oct 27 13:39:47 2014, MaxMem= 1048576000 cpu: 0.4 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 668 RedAO= T EigKep= 9.65D-04 NBF= 668 NBsUse= 668 1.00D-06 EigRej= -1.00D+00 NBFU= 668 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 639 645 646 646 646 MxSgAt= 70 MxSgA2= 70. Leave Link 302 at Mon Oct 27 13:39:49 2014, MaxMem= 1048576000 cpu: 11.8 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Mon Oct 27 13:39:49 2014, MaxMem= 1048576000 cpu: 0.8 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l401.exe) ExpMin= 1.65D-02 ExpMax= 3.16D+04 ExpMxC= 4.74D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 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= 2001 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. Harris En= -2771.83226725373 JPrj=0 DoOrth=F DoCkMO=F. Leave Link 401 at Mon Oct 27 13:39:59 2014, MaxMem= 1048576000 cpu: 84.2 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l502.exe) Closed shell SCF: Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 1366714 IEndB= 1366714 NGot= 1048576000 MDV= 1047672819 LenX= 1047672819 LenY= 1047225927 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 830000000 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. FoFCou: FMM=T IPFlag= 0 FMFlag= 100000 FMFlg1= 2001 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. FMM levels: 10 Number of levels for PrismC: 9 E= -2771.19568806806 DIIS: error= 1.58D-02 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -2771.19568806806 IErMin= 1 ErrMin= 1.58D-02 ErrMax= 1.58D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D+00 BMatP= 1.06D+00 IDIUse=3 WtCom= 8.42D-01 WtEn= 1.58D-01 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.178 Goal= None Shift= 0.000 GapD= 0.178 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=3.35D-03 MaxDP=2.30D-01 OVMax= 2.44D-01 Cycle 2 Pass 1 IDiag 1: RMSU= 1.67D-03 CP: 9.94D-01 E= -2771.36919065589 Delta-E= -0.173502587822 Rises=F Damp=T DIIS: error= 9.50D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -2771.36919065589 IErMin= 2 ErrMin= 9.50D-03 ErrMax= 9.50D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-01 BMatP= 1.06D+00 IDIUse=3 WtCom= 9.05D-01 WtEn= 9.50D-02 Coeff-Com: 0.238D+00 0.762D+00 Coeff-En: 0.390D+00 0.610D+00 Coeff: 0.252D+00 0.748D+00 Gap= 0.251 Goal= None Shift= 0.000 RMSDP=1.04D-03 MaxDP=7.32D-02 DE=-1.74D-01 OVMax= 1.87D-01 Cycle 3 Pass 1 IDiag 1: RMSU= 8.88D-04 CP: 9.91D-01 6.82D-01 E= -2771.89946211458 Delta-E= -0.530271458694 Rises=F Damp=F DIIS: error= 1.20D-02 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -2771.89946211458 IErMin= 2 ErrMin= 9.50D-03 ErrMax= 1.20D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-01 BMatP= 1.90D-01 IDIUse=3 WtCom= 8.80D-01 WtEn= 1.20D-01 Coeff-Com: 0.756D-01 0.451D+00 0.474D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.665D-01 0.396D+00 0.537D+00 Gap= 0.210 Goal= None Shift= 0.000 RMSDP=6.71D-04 MaxDP=6.20D-02 DE=-5.30D-01 OVMax= 1.15D-01 Cycle 4 Pass 1 IDiag 1: RMSU= 3.83D-04 CP: 9.93D-01 7.78D-01 4.08D-01 E= -2771.98231392398 Delta-E= -0.082851809402 Rises=F Damp=F DIIS: error= 5.07D-03 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -2771.98231392398 IErMin= 4 ErrMin= 5.07D-03 ErrMax= 5.07D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-02 BMatP= 1.32D-01 IDIUse=3 WtCom= 9.49D-01 WtEn= 5.07D-02 Coeff-Com: 0.987D-02 0.119D+00 0.348D+00 0.523D+00 Coeff-En: 0.000D+00 0.000D+00 0.231D+00 0.769D+00 Coeff: 0.937D-02 0.113D+00 0.342D+00 0.535D+00 Gap= 0.199 Goal= None Shift= 0.000 RMSDP=2.56D-04 MaxDP=2.63D-02 DE=-8.29D-02 OVMax= 4.96D-02 Cycle 5 Pass 1 IDiag 1: RMSU= 1.24D-04 CP: 9.93D-01 7.52D-01 5.55D-01 5.41D-01 E= -2772.00716965096 Delta-E= -0.024855726977 Rises=F Damp=F DIIS: error= 1.26D-03 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -2772.00716965096 IErMin= 5 ErrMin= 1.26D-03 ErrMax= 1.26D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-03 BMatP= 3.52D-02 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.26D-02 Coeff-Com: 0.405D-03 0.235D-01 0.142D+00 0.308D+00 0.527D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.454D-02 0.995D+00 Coeff: 0.400D-03 0.232D-01 0.140D+00 0.304D+00 0.533D+00 Gap= 0.202 Goal= None Shift= 0.000 RMSDP=7.94D-05 MaxDP=5.50D-03 DE=-2.49D-02 OVMax= 1.26D-02 Cycle 6 Pass 1 IDiag 1: RMSU= 3.97D-05 CP: 9.93D-01 7.53D-01 5.63D-01 6.07D-01 4.91D-01 E= -2772.00892376047 Delta-E= -0.001754109515 Rises=F Damp=F DIIS: error= 3.14D-04 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -2772.00892376047 IErMin= 6 ErrMin= 3.14D-04 ErrMax= 3.14D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-04 BMatP= 2.30D-03 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.14D-03 Coeff-Com: -0.579D-03 0.166D-02 0.436D-01 0.115D+00 0.299D+00 0.542D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.134D-01 0.987D+00 Coeff: -0.577D-03 0.165D-02 0.435D-01 0.115D+00 0.298D+00 0.543D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=2.36D-05 MaxDP=1.80D-03 DE=-1.75D-03 OVMax= 4.97D-03 Cycle 7 Pass 1 IDiag 1: RMSU= 1.41D-05 CP: 9.93D-01 7.54D-01 5.62D-01 6.10D-01 5.63D-01 CP: 5.84D-01 E= -2772.00905882785 Delta-E= -0.000135067374 Rises=F Damp=F DIIS: error= 9.49D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -2772.00905882785 IErMin= 7 ErrMin= 9.49D-05 ErrMax= 9.49D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.32D-05 BMatP= 1.96D-04 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.420D-03-0.140D-02 0.147D-01 0.444D-01 0.146D+00 0.352D+00 Coeff-Com: 0.445D+00 Coeff: -0.420D-03-0.140D-02 0.147D-01 0.444D-01 0.146D+00 0.352D+00 Coeff: 0.445D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=8.63D-06 MaxDP=8.12D-04 DE=-1.35D-04 OVMax= 1.91D-03 Cycle 8 Pass 1 IDiag 1: RMSU= 4.34D-06 CP: 9.93D-01 7.53D-01 5.62D-01 6.11D-01 5.67D-01 CP: 6.34D-01 4.99D-01 E= -2772.00908497024 Delta-E= -0.000026142388 Rises=F Damp=F DIIS: error= 4.30D-05 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -2772.00908497024 IErMin= 8 ErrMin= 4.30D-05 ErrMax= 4.30D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-06 BMatP= 3.32D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.111D-03-0.870D-03 0.400D-02 0.125D-01 0.522D-01 0.139D+00 Coeff-Com: 0.244D+00 0.549D+00 Coeff: -0.111D-03-0.870D-03 0.400D-02 0.125D-01 0.522D-01 0.139D+00 Coeff: 0.244D+00 0.549D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=2.33D-06 MaxDP=2.40D-04 DE=-2.61D-05 OVMax= 3.68D-04 Cycle 9 Pass 1 IDiag 1: RMSU= 1.40D-06 CP: 9.93D-01 7.53D-01 5.62D-01 6.11D-01 5.70D-01 CP: 6.33D-01 5.39D-01 6.17D-01 E= -2772.00908642610 Delta-E= -0.000001455865 Rises=F Damp=F DIIS: error= 1.86D-05 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -2772.00908642610 IErMin= 9 ErrMin= 1.86D-05 ErrMax= 1.86D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-07 BMatP= 1.92D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.293D-05-0.326D-03 0.460D-03 0.127D-02 0.116D-01 0.339D-01 Coeff-Com: 0.798D-01 0.318D+00 0.555D+00 Coeff: 0.293D-05-0.326D-03 0.460D-03 0.127D-02 0.116D-01 0.339D-01 Coeff: 0.798D-01 0.318D+00 0.555D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=7.97D-07 MaxDP=6.93D-05 DE=-1.46D-06 OVMax= 1.03D-04 Cycle 10 Pass 1 IDiag 1: RMSU= 5.31D-07 CP: 9.93D-01 7.53D-01 5.62D-01 6.10D-01 5.71D-01 CP: 6.35D-01 5.46D-01 6.62D-01 6.33D-01 E= -2772.00908659764 Delta-E= -0.000000171542 Rises=F Damp=F DIIS: error= 4.11D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -2772.00908659764 IErMin=10 ErrMin= 4.11D-06 ErrMax= 4.11D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-08 BMatP= 2.63D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.109D-04-0.107D-03-0.767D-04-0.441D-03 0.200D-02 0.661D-02 Coeff-Com: 0.225D-01 0.138D+00 0.340D+00 0.492D+00 Coeff: 0.109D-04-0.107D-03-0.767D-04-0.441D-03 0.200D-02 0.661D-02 Coeff: 0.225D-01 0.138D+00 0.340D+00 0.492D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=3.05D-07 MaxDP=2.91D-05 DE=-1.72D-07 OVMax= 5.15D-05 Cycle 11 Pass 1 IDiag 1: RMSU= 1.84D-07 CP: 9.93D-01 7.53D-01 5.62D-01 6.10D-01 5.70D-01 CP: 6.35D-01 5.45D-01 6.81D-01 6.80D-01 5.93D-01 E= -2772.00908662572 Delta-E= -0.000000028080 Rises=F Damp=F DIIS: error= 1.22D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -2772.00908662572 IErMin=11 ErrMin= 1.22D-06 ErrMax= 1.22D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-09 BMatP= 3.71D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.526D-05-0.238D-04-0.930D-04-0.387D-03-0.934D-04 0.765D-04 Coeff-Com: 0.371D-02 0.437D-01 0.129D+00 0.280D+00 0.544D+00 Coeff: 0.526D-05-0.238D-04-0.930D-04-0.387D-03-0.934D-04 0.765D-04 Coeff: 0.371D-02 0.437D-01 0.129D+00 0.280D+00 0.544D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=9.29D-08 MaxDP=8.21D-06 DE=-2.81D-08 OVMax= 1.96D-05 Cycle 12 Pass 1 IDiag 1: RMSU= 5.81D-08 CP: 9.93D-01 7.53D-01 5.62D-01 6.10D-01 5.71D-01 CP: 6.35D-01 5.46D-01 6.82D-01 6.88D-01 6.66D-01 CP: 6.90D-01 E= -2772.00908662811 Delta-E= -0.000000002387 Rises=F Damp=F DIIS: error= 5.34D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -2772.00908662811 IErMin=12 ErrMin= 5.34D-07 ErrMax= 5.34D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.93D-10 BMatP= 3.35D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.142D-05-0.924D-07-0.557D-04-0.198D-03-0.378D-03-0.950D-03 Coeff-Com: -0.104D-02 0.786D-02 0.317D-01 0.105D+00 0.333D+00 0.525D+00 Coeff: 0.142D-05-0.924D-07-0.557D-04-0.198D-03-0.378D-03-0.950D-03 Coeff: -0.104D-02 0.786D-02 0.317D-01 0.105D+00 0.333D+00 0.525D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=3.09D-08 MaxDP=2.17D-06 DE=-2.39D-09 OVMax= 4.82D-06 Cycle 13 Pass 1 IDiag 1: RMSU= 1.73D-08 CP: 9.93D-01 7.53D-01 5.62D-01 6.10D-01 5.71D-01 CP: 6.35D-01 5.45D-01 6.83D-01 6.93D-01 6.68D-01 CP: 7.38D-01 6.26D-01 E= -2772.00908662850 Delta-E= -0.000000000395 Rises=F Damp=F DIIS: error= 8.86D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -2772.00908662850 IErMin=13 ErrMin= 8.86D-08 ErrMax= 8.86D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-11 BMatP= 4.93D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.975D-07 0.201D-05-0.151D-04-0.489D-04-0.146D-03-0.409D-03 Coeff-Com: -0.806D-03-0.362D-03 0.215D-02 0.219D-01 0.102D+00 0.231D+00 Coeff-Com: 0.645D+00 Coeff: -0.975D-07 0.201D-05-0.151D-04-0.489D-04-0.146D-03-0.409D-03 Coeff: -0.806D-03-0.362D-03 0.215D-02 0.219D-01 0.102D+00 0.231D+00 Coeff: 0.645D+00 Gap= 0.203 Goal= None Shift= 0.000 RMSDP=9.23D-09 MaxDP=8.51D-07 DE=-3.95D-10 OVMax= 1.71D-06 SCF Done: E(RB3LYP) = -2772.00908663 A.U. after 13 cycles NFock= 13 Conv=0.92D-08 -V/T= 2.0072 KE= 2.752245518069D+03 PE=-1.818105478804D+04 EE= 6.806391268235D+03 Leave Link 502 at Mon Oct 27 13:43:39 2014, MaxMem= 1048576000 cpu: 1749.1 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l801.exe) DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 668 NBasis= 668 NAE= 159 NBE= 159 NFC= 0 NFV= 0 NROrb= 668 NOA= 159 NOB= 159 NVA= 509 NVB= 509 Leave Link 801 at Mon Oct 27 13:43:39 2014, MaxMem= 1048576000 cpu: 0.2 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l1101.exe) Using compressed storage, NAtomX= 70. Will process 71 centers per pass. Leave Link 1101 at Mon Oct 27 13:43:40 2014, MaxMem= 1048576000 cpu: 13.1 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l1102.exe) Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Mon Oct 27 13:43:41 2014, MaxMem= 1048576000 cpu: 0.8 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 70. Integral derivatives from FoFJK, PRISM(SPDF). Do as many integral derivatives as possible in FoFJK. G2DrvN: MDV= 1048575336. G2DrvN: will do 71 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=T I1Cent= 0 AccDes= 0.00D+00. FoFJK: IHMeth= 1 ICntrl= 3107 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. FoFCou: FMM=T IPFlag= 0 FMFlag= 100000 FMFlg1= 2001 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 3107 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. FMM levels: 10 Number of levels for PrismC: 9 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. Leave Link 1110 at Mon Oct 27 13:54:21 2014, MaxMem= 1048576000 cpu: 5111.4 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l1002.exe) Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 1048574628 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 72. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 830000000 NMat= 72 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. FoFCou: FMM=T IPFlag= 0 FMFlag= 100000 FMFlg1= 2001 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 72 NMatS0= 72 NMatT0= 0 NMatD0= 72 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. FMM levels: 10 Number of levels for PrismC: 9 There are 213 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 213 vectors produced by pass 0 Test12= 8.09D-14 1.00D-09 XBig12= 2.11D+02 4.33D+00. AX will form 72 AO Fock derivatives at one time. 210 vectors produced by pass 1 Test12= 8.09D-14 1.00D-09 XBig12= 4.02D+01 1.27D+00. 210 vectors produced by pass 2 Test12= 8.09D-14 1.00D-09 XBig12= 3.74D-01 3.87D-02. 210 vectors produced by pass 3 Test12= 8.09D-14 1.00D-09 XBig12= 1.56D-03 2.20D-03. 210 vectors produced by pass 4 Test12= 8.09D-14 1.00D-09 XBig12= 2.89D-06 7.69D-05. 180 vectors produced by pass 5 Test12= 8.09D-14 1.00D-09 XBig12= 2.98D-09 3.00D-06. 13 vectors produced by pass 6 Test12= 8.09D-14 1.00D-09 XBig12= 2.40D-12 7.43D-08. 3 vectors produced by pass 7 Test12= 8.09D-14 1.00D-09 XBig12= 2.30D-15 2.37D-09. InvSVY: IOpt=1 It= 1 EMax= 3.73D-14 Solved reduced A of dimension 1249 with 213 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 279.31 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. Leave Link 1002 at Mon Oct 27 14:49:32 2014, MaxMem= 1048576000 cpu: 26405.1 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l601.exe) Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -129.85020 -19.31637 -19.31201 -19.30496 -19.30057 Alpha occ. eigenvalues -- -19.28481 -19.28014 -19.28011 -19.26822 -19.26551 Alpha occ. eigenvalues -- -19.26381 -19.26259 -19.25995 -19.25171 -19.24962 Alpha occ. eigenvalues -- -19.24875 -19.24672 -19.24328 -19.24108 -13.28617 Alpha occ. eigenvalues -- -10.62800 -10.62779 -10.62744 -10.45063 -10.43654 Alpha occ. eigenvalues -- -10.42223 -10.41500 -10.39661 -10.38268 -10.38142 Alpha occ. eigenvalues -- -10.36491 -10.36252 -10.36226 -10.35893 -10.35466 Alpha occ. eigenvalues -- -10.35448 -10.35395 -10.35387 -10.35030 -10.34122 Alpha occ. eigenvalues -- -10.33973 -10.33259 -10.33180 -10.31565 -1.45444 Alpha occ. eigenvalues -- -1.22871 -1.21463 -1.21277 -1.20926 -1.19320 Alpha occ. eigenvalues -- -1.17515 -1.15658 -1.14351 -1.14020 -1.13815 Alpha occ. eigenvalues -- -1.13813 -1.13196 -1.12772 -1.12605 -1.12137 Alpha occ. eigenvalues -- -1.11861 -1.11138 -1.09706 -0.92063 -0.91443 Alpha occ. eigenvalues -- -0.90559 -0.87964 -0.87521 -0.86260 -0.84637 Alpha occ. eigenvalues -- -0.82977 -0.82849 -0.82243 -0.82059 -0.81868 Alpha occ. eigenvalues -- -0.79262 -0.78399 -0.76940 -0.76628 -0.75563 Alpha occ. eigenvalues -- -0.73831 -0.71570 -0.70110 -0.69046 -0.68446 Alpha occ. eigenvalues -- -0.67231 -0.67116 -0.66201 -0.65210 -0.64654 Alpha occ. eigenvalues -- -0.64014 -0.63902 -0.63150 -0.62544 -0.62077 Alpha occ. eigenvalues -- -0.61830 -0.61039 -0.60625 -0.60150 -0.59816 Alpha occ. eigenvalues -- -0.59632 -0.59375 -0.58936 -0.58482 -0.58430 Alpha occ. eigenvalues -- -0.58050 -0.57497 -0.57184 -0.56366 -0.56115 Alpha occ. eigenvalues -- -0.55879 -0.55325 -0.54719 -0.54553 -0.54027 Alpha occ. eigenvalues -- -0.53876 -0.53234 -0.52474 -0.52258 -0.51833 Alpha occ. eigenvalues -- -0.51738 -0.51353 -0.50959 -0.50730 -0.50241 Alpha occ. eigenvalues -- -0.48705 -0.48600 -0.48173 -0.47277 -0.46888 Alpha occ. eigenvalues -- -0.46654 -0.46280 -0.46086 -0.45590 -0.45440 Alpha occ. eigenvalues -- -0.45056 -0.44699 -0.43999 -0.43862 -0.43336 Alpha occ. eigenvalues -- -0.42753 -0.41934 -0.41597 -0.41349 -0.40947 Alpha occ. eigenvalues -- -0.40735 -0.40274 -0.39669 -0.39596 -0.38975 Alpha occ. eigenvalues -- -0.38796 -0.38458 -0.38142 -0.37846 -0.37102 Alpha occ. eigenvalues -- -0.36746 -0.36331 -0.35716 -0.35439 Alpha virt. eigenvalues -- -0.15164 -0.11518 -0.10443 -0.09663 -0.08489 Alpha virt. eigenvalues -- -0.07879 -0.07745 -0.07204 -0.05519 -0.03710 Alpha virt. eigenvalues -- -0.02952 -0.02349 -0.01748 -0.01223 -0.00899 Alpha virt. eigenvalues -- -0.00646 -0.00442 -0.00029 0.00760 0.01017 Alpha virt. eigenvalues -- 0.01172 0.01836 0.02306 0.02496 0.02537 Alpha virt. eigenvalues -- 0.03040 0.03268 0.03721 0.04161 0.04320 Alpha virt. eigenvalues -- 0.04529 0.04812 0.05325 0.05460 0.05969 Alpha virt. eigenvalues -- 0.06144 0.06282 0.06438 0.07071 0.07752 Alpha virt. eigenvalues -- 0.08004 0.08134 0.08513 0.08583 0.09221 Alpha virt. eigenvalues -- 0.09564 0.09661 0.09736 0.10021 0.10297 Alpha virt. eigenvalues -- 0.10689 0.10910 0.11340 0.11415 0.11652 Alpha virt. eigenvalues -- 0.12328 0.12345 0.13080 0.13433 0.13507 Alpha virt. eigenvalues -- 0.14092 0.14602 0.15268 0.15995 0.16603 Alpha virt. eigenvalues -- 0.16843 0.17978 0.18615 0.19455 0.19705 Alpha virt. eigenvalues -- 0.20373 0.20934 0.21071 0.21728 0.22195 Alpha virt. eigenvalues -- 0.22743 0.23789 0.23951 0.24862 0.25247 Alpha virt. eigenvalues -- 0.25768 0.26961 0.27386 0.29072 0.30003 Alpha virt. eigenvalues -- 0.30218 0.32410 0.32522 0.34169 0.38257 Alpha virt. eigenvalues -- 0.39507 0.39967 0.40116 0.40913 0.41812 Alpha virt. eigenvalues -- 0.42373 0.42793 0.43397 0.43640 0.43969 Alpha virt. eigenvalues -- 0.44806 0.45244 0.45494 0.45747 0.46202 Alpha virt. eigenvalues -- 0.46713 0.46923 0.47270 0.47769 0.48248 Alpha virt. eigenvalues -- 0.49045 0.49250 0.49651 0.50123 0.50367 Alpha virt. eigenvalues -- 0.50825 0.51215 0.52176 0.52569 0.52651 Alpha virt. eigenvalues -- 0.53016 0.53585 0.54039 0.54402 0.54440 Alpha virt. eigenvalues -- 0.54935 0.55214 0.56337 0.56647 0.57822 Alpha virt. eigenvalues -- 0.58127 0.58866 0.59075 0.60182 0.60545 Alpha virt. eigenvalues -- 0.61222 0.62366 0.62843 0.63210 0.63571 Alpha virt. eigenvalues -- 0.64775 0.66267 0.67168 0.67849 0.68079 Alpha virt. eigenvalues -- 0.68250 0.68929 0.69175 0.70043 0.70993 Alpha virt. eigenvalues -- 0.71293 0.71865 0.72178 0.72391 0.72865 Alpha virt. eigenvalues -- 0.73410 0.73632 0.73913 0.74415 0.75051 Alpha virt. eigenvalues -- 0.76020 0.76205 0.76455 0.76642 0.76876 Alpha virt. eigenvalues -- 0.77643 0.77899 0.78251 0.78475 0.78835 Alpha virt. eigenvalues -- 0.79310 0.79784 0.80076 0.80450 0.81015 Alpha virt. eigenvalues -- 0.81625 0.82755 0.83244 0.83563 0.83932 Alpha virt. eigenvalues -- 0.84282 0.85323 0.86158 0.86287 0.87106 Alpha virt. eigenvalues -- 0.87645 0.87910 0.88214 0.88460 0.88626 Alpha virt. eigenvalues -- 0.89410 0.89522 0.90006 0.91014 0.91750 Alpha virt. eigenvalues -- 0.92644 0.92950 0.93893 0.94041 0.94913 Alpha virt. eigenvalues -- 0.95819 0.95887 0.96206 0.96900 0.97046 Alpha virt. eigenvalues -- 0.98344 0.98533 0.98825 0.99388 0.99772 Alpha virt. eigenvalues -- 1.00232 1.00575 1.00824 1.01475 1.02235 Alpha virt. eigenvalues -- 1.02307 1.03919 1.04438 1.04828 1.05408 Alpha virt. eigenvalues -- 1.06124 1.06614 1.07278 1.07961 1.08670 Alpha virt. eigenvalues -- 1.09529 1.10025 1.12185 1.13298 1.14520 Alpha virt. eigenvalues -- 1.15567 1.15931 1.16838 1.17136 1.18065 Alpha virt. eigenvalues -- 1.18276 1.19000 1.20432 1.20574 1.21490 Alpha virt. eigenvalues -- 1.22077 1.22883 1.23382 1.24259 1.25090 Alpha virt. eigenvalues -- 1.25871 1.26842 1.27441 1.28074 1.29065 Alpha virt. eigenvalues -- 1.30401 1.30515 1.30798 1.31401 1.31837 Alpha virt. eigenvalues -- 1.32551 1.32821 1.33354 1.34359 1.35011 Alpha virt. eigenvalues -- 1.35885 1.36566 1.37885 1.40068 1.40967 Alpha virt. eigenvalues -- 1.41715 1.42195 1.42732 1.42996 1.43815 Alpha virt. eigenvalues -- 1.44990 1.46040 1.46658 1.47818 1.49404 Alpha virt. eigenvalues -- 1.50261 1.51364 1.51637 1.52946 1.54099 Alpha virt. eigenvalues -- 1.54333 1.55088 1.55694 1.56345 1.57083 Alpha virt. eigenvalues -- 1.57304 1.57991 1.59308 1.60146 1.60759 Alpha virt. eigenvalues -- 1.60863 1.62109 1.62202 1.62607 1.63346 Alpha virt. eigenvalues -- 1.63771 1.64329 1.64613 1.64978 1.65650 Alpha virt. eigenvalues -- 1.65882 1.66112 1.67039 1.67584 1.68109 Alpha virt. eigenvalues -- 1.69076 1.69494 1.70265 1.70564 1.71322 Alpha virt. eigenvalues -- 1.73004 1.73348 1.73835 1.74455 1.74640 Alpha virt. eigenvalues -- 1.75581 1.75821 1.75919 1.76395 1.76872 Alpha virt. eigenvalues -- 1.78165 1.78388 1.78781 1.79397 1.79547 Alpha virt. eigenvalues -- 1.80161 1.80653 1.81691 1.82355 1.82644 Alpha virt. eigenvalues -- 1.83494 1.84117 1.84705 1.85810 1.86313 Alpha virt. eigenvalues -- 1.87098 1.87438 1.87898 1.88483 1.88978 Alpha virt. eigenvalues -- 1.89429 1.90407 1.90860 1.91615 1.91789 Alpha virt. eigenvalues -- 1.92750 1.92790 1.93926 1.94431 1.95094 Alpha virt. eigenvalues -- 1.95438 1.96185 1.96707 1.97825 1.98759 Alpha virt. eigenvalues -- 1.99097 1.99806 2.00318 2.00630 2.00871 Alpha virt. eigenvalues -- 2.01473 2.03022 2.03432 2.04295 2.04522 Alpha virt. eigenvalues -- 2.05220 2.05329 2.07069 2.07519 2.08230 Alpha virt. eigenvalues -- 2.09111 2.09543 2.10266 2.11362 2.11500 Alpha virt. eigenvalues -- 2.12047 2.12716 2.13682 2.13953 2.15236 Alpha virt. eigenvalues -- 2.16426 2.16672 2.17381 2.17950 2.18433 Alpha virt. eigenvalues -- 2.19456 2.19896 2.21306 2.21754 2.22394 Alpha virt. eigenvalues -- 2.24323 2.25264 2.27349 2.27979 2.28615 Alpha virt. eigenvalues -- 2.29397 2.30700 2.31503 2.33122 2.33438 Alpha virt. eigenvalues -- 2.34650 2.35758 2.36980 2.37407 2.37888 Alpha virt. eigenvalues -- 2.38881 2.39897 2.40024 2.40742 2.42056 Alpha virt. eigenvalues -- 2.42186 2.44254 2.44859 2.45741 2.46535 Alpha virt. eigenvalues -- 2.46757 2.47669 2.48738 2.49053 2.49564 Alpha virt. eigenvalues -- 2.49834 2.51732 2.52658 2.53405 2.53889 Alpha virt. eigenvalues -- 2.54635 2.55810 2.56151 2.56795 2.58700 Alpha virt. eigenvalues -- 2.60201 2.60953 2.61112 2.61687 2.63916 Alpha virt. eigenvalues -- 2.64887 2.67469 2.68545 2.69431 2.70415 Alpha virt. eigenvalues -- 2.72600 2.73581 2.75330 2.76180 2.76398 Alpha virt. eigenvalues -- 2.78016 2.78372 2.79137 2.79820 2.82186 Alpha virt. eigenvalues -- 2.83795 2.85044 2.86080 2.86743 2.88098 Alpha virt. eigenvalues -- 2.89007 2.89783 2.90116 2.91842 2.93985 Alpha virt. eigenvalues -- 2.95757 2.98532 3.00157 3.00437 3.03190 Alpha virt. eigenvalues -- 3.04098 3.05706 3.09348 3.10176 3.11691 Alpha virt. eigenvalues -- 3.67297 3.68318 3.71303 3.75233 3.80484 Alpha virt. eigenvalues -- 3.84441 3.84995 3.87882 3.91464 3.93466 Alpha virt. eigenvalues -- 3.97422 4.01036 4.02095 4.04568 4.05735 Alpha virt. eigenvalues -- 4.10822 4.11902 4.16862 4.17441 4.19198 Alpha virt. eigenvalues -- 4.19560 4.21506 4.24067 4.24784 4.26193 Alpha virt. eigenvalues -- 4.31900 4.33269 4.33530 4.35969 4.42192 Alpha virt. eigenvalues -- 4.43282 4.51693 4.53621 4.57034 4.57912 Alpha virt. eigenvalues -- 4.60769 4.68766 4.68907 4.85089 Condensed to atoms (all electrons): Mulliken charges: 1 1 C 0.287717 2 C 0.294103 3 C 0.121632 4 C 0.076252 5 C -0.220673 6 H 0.135628 7 H 0.198936 8 H 0.179232 9 H 0.180361 10 O -0.528578 11 O -0.504700 12 O -0.624462 13 H 0.421214 14 O -0.615341 15 H 0.398987 16 C 0.596690 17 O -0.411859 18 O -0.488836 19 C -0.240476 20 H 0.185491 21 H 0.182134 22 H 0.211497 23 C 0.011439 24 C 0.399081 25 C 0.030460 26 C 0.078180 27 C 0.149224 28 H 0.202497 29 H 0.178157 30 H 0.170439 31 H 0.196779 32 H 0.165087 33 O -0.540816 34 O -0.552266 35 O -0.627523 36 H 0.419493 37 O -0.670433 38 H 0.452586 39 C 0.649819 40 O -0.474107 41 O -0.446344 42 C -0.240129 43 H 0.204400 44 H 0.191686 45 H 0.172504 46 C -0.009982 47 C 0.350799 48 C 0.093784 49 C 0.073354 50 C 0.105527 51 H 0.198977 52 H 0.133078 53 H 0.165242 54 H 0.186946 55 H 0.164004 56 O -0.489507 57 O -0.638996 58 H 0.429763 59 O -0.642813 60 H 0.422368 61 O -0.631778 62 H 0.401495 63 C 0.651968 64 O -0.424213 65 O -0.514743 66 C -0.235551 67 H 0.198978 68 H 0.198521 69 H 0.193795 70 K 0.663821 Sum of Mulliken charges = 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.287717 2 C 0.474463 3 C 0.257259 4 C 0.275188 5 C -0.041441 10 O -0.528578 11 O -0.504700 12 O -0.203248 14 O -0.216355 16 C 0.596690 17 O -0.411859 18 O -0.488836 19 C 0.338646 23 C 0.213936 24 C 0.564169 25 C 0.208617 26 C 0.248619 27 C 0.346004 33 O -0.540816 34 O -0.552266 35 O -0.208030 37 O -0.217846 39 C 0.649819 40 O -0.474107 41 O -0.446344 42 C 0.328462 46 C 0.188995 47 C 0.514802 48 C 0.226862 49 C 0.238596 50 C 0.292473 56 O -0.489507 57 O -0.209234 59 O -0.220445 61 O -0.230283 63 C 0.651968 64 O -0.424213 65 O -0.514743 66 C 0.355743 70 K 0.663821 APT charges: 1 1 C 0.319520 2 C 0.878956 3 C 0.367613 4 C 0.488734 5 C -0.206860 6 H -0.086902 7 H -0.023873 8 H 0.053739 9 H -0.025018 10 O -0.807194 11 O -0.862184 12 O -0.575471 13 H 0.296058 14 O -0.601624 15 H 0.260925 16 C 1.388256 17 O -0.873530 18 O -0.939285 19 C 0.464287 20 H -0.004902 21 H 0.001295 22 H 0.023176 23 C 0.368573 24 C 0.926336 25 C 0.401773 26 C 0.367774 27 C 0.475484 28 H -0.004054 29 H -0.053039 30 H -0.058012 31 H -0.023843 32 H -0.027753 33 O -0.831430 34 O -0.889379 35 O -0.588523 36 H 0.288088 37 O -0.662336 38 H 0.383875 39 C 1.012730 40 O -0.806825 41 O -0.631107 42 C 0.466317 43 H 0.005682 44 H -0.013168 45 H -0.000425 46 C 0.263626 47 C 0.866624 48 C 0.354050 49 C 0.388659 50 C 0.439014 51 H 0.014240 52 H -0.063844 53 H -0.020200 54 H -0.009800 55 H -0.067410 56 O -0.720648 57 O -0.673208 58 H 0.331476 59 O -0.634158 60 H 0.303545 61 O -0.601024 62 H 0.275709 63 C 1.286175 64 O -0.878241 65 O -0.961206 66 C 0.494441 67 H 0.007973 68 H 0.010142 69 H 0.004197 70 K 0.947414 Sum of APT charges = 1.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.319520 2 C 0.853938 3 C 0.280710 4 C 0.464861 5 C -0.153121 10 O -0.807194 11 O -0.862184 12 O -0.279413 14 O -0.340699 16 C 1.388256 17 O -0.873530 18 O -0.939285 19 C 0.483857 23 C 0.364519 24 C 0.898583 25 C 0.348734 26 C 0.309763 27 C 0.451641 33 O -0.831430 34 O -0.889379 35 O -0.300435 37 O -0.278461 39 C 1.012730 40 O -0.806825 41 O -0.631107 42 C 0.458406 46 C 0.277866 47 C 0.799214 48 C 0.290206 49 C 0.368459 50 C 0.429213 56 O -0.720648 57 O -0.341732 59 O -0.330613 61 O -0.325314 63 C 1.286175 64 O -0.878241 65 O -0.961206 66 C 0.516752 70 K 0.947414 Electronic spatial extent (au): = 23969.7557 Charge= 1.0000 electrons Dipole moment (field-independent basis, Debye): X= -5.4682 Y= 1.9454 Z= 3.3159 Tot= 6.6843 Quadrupole moment (field-independent basis, Debye-Ang): XX= -107.2792 YY= -204.4256 ZZ= -227.7424 XY= 6.7428 XZ= -16.9027 YZ= -0.2007 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 72.5365 YY= -24.6099 ZZ= -47.9266 XY= 6.7428 XZ= -16.9027 YZ= -0.2007 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -314.0772 YYY= 50.0624 ZZZ= 92.6360 XYY= 18.6259 XXY= 6.8488 XXZ= 144.9159 XZZ= 29.6226 YZZ= 30.1706 YYZ= 7.5473 XYZ= 24.0947 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -16724.1283 YYYY= -3318.2257 ZZZZ= -4282.9258 XXXY= -362.7550 XXXZ= -590.2325 YYYX= -858.9045 YYYZ= -639.5938 ZZZX= 262.9578 ZZZY= -605.6801 XXYY= -3689.9431 XXZZ= -3628.8825 YYZZ= -1161.7260 XXYZ= 68.2740 YYXZ= 233.5337 ZZXY= -261.8997 N-N= 5.850408915111D+03 E-N=-1.818105471270D+04 KE= 2.752245518069D+03 Exact polarizability: 339.771 -0.705 238.886 6.296 25.309 259.261 Approx polarizability: 424.759 -6.709 356.249 24.955 23.991 395.760 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Oct 27 14:49:34 2014, MaxMem= 1048576000 cpu: 6.2 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l701.exe) Compute integral second derivatives. ... and contract with generalized density number 0. Leave Link 701 at Mon Oct 27 14:49:34 2014, MaxMem= 1048576000 cpu: 5.2 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Mon Oct 27 14:49:34 2014, MaxMem= 1048576000 cpu: 0.1 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l703.exe) Compute integral second derivatives, UseDBF=F ICtDFT= 0. Integral derivatives from FoFJK, PRISM(SPDF). Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. FoFJK: IHMeth= 1 ICntrl= 100127 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 2800 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 100127 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Leave Link 703 at Mon Oct 27 14:59:59 2014, MaxMem= 1048576000 cpu: 4979.4 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l716.exe) Dipole =-2.15135140D+00 7.65370576D-01 1.30455938D+00 Polarizability= 3.39771197D+02-7.04620484D-01 2.38885649D+02 6.29627510D+00 2.53093650D+01 2.59260541D+02 Full mass-weighted force constant matrix: Low frequencies --- -5.5700 -1.1207 -0.0022 -0.0021 -0.0019 5.2117 Low frequencies --- 14.7772 21.3530 25.1150 Diagonal vibrational polarizability: 235.7143633 237.2594657 175.3266351 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 4 5 A A A A A Frequencies --- 14.6750 21.3429 25.1124 35.5963 46.8518 Reduced masses --- 7.1034 6.1550 6.5175 6.0465 6.3280 Force constants --- 0.0009 0.0017 0.0024 0.0045 0.0082 IR Intensities --- 0.1457 0.2583 0.3535 0.7718 1.7789 Coord Atom Element: 1 1 6 0.03152 -0.00948 0.01134 0.01593 -0.02195 2 1 6 0.00902 -0.00752 0.05227 0.01456 0.05590 3 1 6 0.06785 0.00036 0.01228 0.02787 -0.00911 1 2 6 -0.00153 -0.02048 -0.00929 -0.00152 0.01651 2 2 6 0.03058 0.01788 0.02252 0.00221 0.02937 3 2 6 -0.00019 -0.04972 0.03905 0.04266 0.08345 1 3 6 -0.02019 -0.00609 0.00145 0.01224 0.05692 2 3 6 0.06536 0.08300 0.04639 0.02077 0.01692 3 3 6 0.02415 -0.08079 0.01930 0.01962 0.02465 1 4 6 -0.01608 0.03551 0.04325 0.05198 0.11405 2 4 6 0.07635 0.10875 0.06005 0.03495 0.02594 3 4 6 0.07217 -0.03778 -0.00024 0.00835 -0.05020 1 5 6 0.00951 0.01949 0.03714 0.04701 0.03891 2 5 6 0.04020 0.05290 0.06467 0.03362 0.04336 3 5 6 0.09483 -0.00160 -0.00313 0.00950 -0.05819 1 6 1 -0.01176 -0.03382 -0.02363 -0.01203 0.00874 2 6 1 0.05617 0.07716 0.06879 0.03444 0.05099 3 6 1 0.02588 -0.11838 0.01006 0.00322 -0.00141 1 7 1 -0.02642 0.06900 0.07322 0.08231 0.19050 2 7 1 0.09389 0.12523 0.03951 0.01814 -0.00764 3 7 1 0.07493 0.00137 0.01179 0.02299 -0.00725 1 8 1 0.00925 0.03513 0.05554 0.06759 0.04148 2 8 1 0.03946 0.06189 0.07596 0.04586 0.04618 3 8 1 0.13509 0.02795 -0.01646 -0.00336 -0.10074 1 9 1 -0.01171 -0.04942 -0.03291 -0.01008 0.01573 2 9 1 0.01980 -0.00058 0.01625 -0.00197 0.03595 3 9 1 -0.02785 -0.08009 0.04982 0.03903 0.11178 1 10 8 0.03342 -0.03036 -0.01236 -0.01083 -0.02603 2 10 8 0.00754 -0.02341 0.03706 -0.00274 0.05493 3 10 8 0.01991 -0.03136 0.02969 0.03833 0.05546 1 11 8 -0.00018 0.01152 0.01699 0.01201 0.03205 2 11 8 0.02581 0.01680 -0.00113 0.00460 0.03164 3 11 8 -0.00465 -0.00236 0.04760 0.06038 0.10556 1 12 8 -0.05271 0.00019 0.00552 0.02596 0.11593 2 12 8 0.09283 0.12263 0.03078 0.01548 -0.02674 3 12 8 -0.00072 -0.10262 0.02978 0.02607 0.06611 1 13 1 -0.06620 0.01773 0.02342 0.04835 0.17847 2 13 1 0.11454 0.17197 0.05233 0.03982 0.01091 3 13 1 0.01949 -0.11582 0.01148 0.00280 -0.00436 1 14 8 -0.02673 0.05159 0.05508 0.06331 0.16428 2 14 8 0.09984 0.16650 0.09179 0.07234 0.05159 3 14 8 0.09099 -0.07862 -0.02843 -0.01910 -0.15476 1 15 1 -0.01892 0.02312 0.03045 0.04035 0.09891 2 15 1 0.08899 0.15621 0.11069 0.08094 0.08087 3 15 1 0.09229 -0.11259 -0.04147 -0.03657 -0.20173 1 16 6 0.05274 -0.01864 0.00989 0.01983 -0.09437 2 16 6 -0.02445 -0.06340 0.04933 0.00668 0.06569 3 16 6 0.09164 0.05310 0.01551 0.03180 0.00733 1 17 8 0.06783 -0.02427 0.00861 0.02175 -0.14541 2 17 8 -0.08362 -0.11729 0.06692 0.11578 -0.06387 3 17 8 0.15951 0.08936 -0.00081 -0.05458 0.04694 1 18 8 0.05270 -0.02129 0.01176 0.03240 -0.12082 2 18 8 0.00032 -0.06145 0.03091 -0.09012 0.17715 3 18 8 0.05028 0.06668 0.03194 0.10788 -0.00642 1 19 6 0.08201 -0.01984 -0.00071 -0.02520 -0.09454 2 19 6 -0.12328 -0.13404 0.09259 0.25073 -0.22012 3 19 6 0.18912 0.05206 -0.02430 -0.12217 0.01671 1 20 1 0.04263 -0.01778 0.02334 0.06014 -0.12561 2 20 1 -0.11919 -0.10684 0.09924 0.33814 -0.36271 3 20 1 0.22348 0.06999 -0.03872 -0.12795 -0.06003 1 21 1 0.10739 -0.00570 -0.01745 -0.12780 0.04309 2 21 1 -0.12020 -0.12706 0.09260 0.26280 -0.24348 3 21 1 0.16024 0.00220 -0.01888 -0.16281 0.11589 1 22 1 0.10751 -0.03321 -0.01514 -0.04251 -0.16871 2 22 1 -0.16250 -0.18420 0.10512 0.25334 -0.17231 3 22 1 0.20781 0.05948 -0.03257 -0.12879 -0.02209 1 23 6 -0.00661 0.03058 0.01203 -0.01920 -0.01041 2 23 6 -0.03044 -0.02085 -0.07635 -0.02067 0.00639 3 23 6 -0.06037 0.03608 0.01048 -0.01142 0.02851 1 24 6 0.00104 -0.00835 -0.00659 0.01811 0.02847 2 24 6 0.00510 -0.03338 -0.03485 -0.06001 0.01074 3 24 6 -0.06961 0.07079 0.02111 -0.04566 -0.02193 1 25 6 0.00784 -0.02141 0.00918 0.03091 0.04173 2 25 6 0.00694 -0.03399 -0.03935 -0.07281 0.01068 3 25 6 -0.05285 0.05662 0.02182 -0.08533 0.00048 1 26 6 0.00970 -0.02465 0.00793 0.03326 0.04517 2 26 6 0.00680 -0.02903 -0.05056 -0.08634 -0.00486 3 26 6 -0.03431 0.02313 0.02451 -0.04481 0.03211 1 27 6 -0.01188 0.00190 -0.00377 -0.00964 0.01130 2 27 6 -0.00081 -0.00971 -0.04628 -0.02876 0.00558 3 27 6 -0.02782 0.01397 0.02802 -0.01319 0.04947 1 28 1 -0.01173 0.04822 0.02727 -0.03905 -0.02144 2 28 1 -0.05833 -0.02729 -0.10272 -0.00982 0.01092 3 28 1 -0.04318 0.05776 0.04561 -0.03862 0.01384 1 29 1 0.01915 -0.04553 0.01142 0.05756 0.06802 2 29 1 0.01747 -0.03943 -0.03306 -0.10621 0.01892 3 29 1 -0.05467 0.06591 0.02278 -0.10866 -0.00887 1 30 1 0.01273 -0.03591 0.01428 0.04752 0.06302 2 30 1 0.00978 -0.03119 -0.05300 -0.10153 -0.01193 3 30 1 -0.02208 0.00493 0.02331 -0.07767 0.02791 1 31 1 -0.04323 -0.00683 -0.04179 -0.05619 -0.02380 2 31 1 -0.00740 -0.00464 -0.04798 -0.00597 0.01115 3 31 1 -0.01573 0.00684 0.03339 -0.04343 0.04441 1 32 1 -0.00726 -0.01658 -0.02718 0.02583 0.06388 2 32 1 0.01585 -0.03600 -0.03290 -0.08862 0.01282 3 32 1 -0.07573 0.07361 0.02095 -0.02853 -0.02557 1 33 8 0.00041 0.00617 -0.00901 0.00296 -0.00071 2 33 8 -0.00918 -0.02686 -0.05179 -0.04378 0.00954 3 33 8 -0.08383 0.06109 0.00717 -0.01188 0.01442 1 34 8 0.00386 -0.00060 0.00080 0.01239 0.00162 2 34 8 0.00415 -0.03724 -0.00839 -0.03103 0.00742 3 34 8 -0.06201 0.08572 0.03258 -0.06121 -0.07539 1 35 8 -0.00148 -0.00201 0.01820 0.00566 0.01927 2 35 8 -0.00234 -0.03276 -0.03912 -0.03429 0.00568 3 35 8 -0.04731 0.06123 0.02454 -0.12747 -0.00189 1 36 1 -0.00284 0.00076 0.01860 0.00381 0.01558 2 36 1 0.00574 -0.05244 -0.03372 -0.03782 0.03571 3 36 1 -0.06420 0.09643 0.02707 -0.14669 -0.04866 1 37 8 0.02570 -0.03906 0.00836 0.05399 0.04283 2 37 8 0.01516 -0.03921 -0.05375 -0.12873 -0.01901 3 37 8 -0.03773 0.02811 0.02878 0.00481 0.04965 1 38 1 0.03221 -0.04113 0.00910 0.05859 0.04363 2 38 1 0.00306 -0.04397 -0.05169 -0.12949 -0.03265 3 38 1 -0.00839 0.01585 0.03124 0.02666 0.04913 1 39 6 0.00039 0.06605 0.03269 -0.04023 -0.04710 2 39 6 -0.05279 -0.01485 -0.10799 0.00085 -0.00566 3 39 6 -0.09148 0.00797 -0.04330 0.03239 0.05042 1 40 8 -0.00273 0.06451 0.06196 0.00091 0.04076 2 40 8 -0.03591 -0.00943 -0.06682 -0.00226 0.03100 3 40 8 -0.12620 -0.00389 -0.11507 0.05524 0.01229 1 41 8 0.00767 0.09514 0.02581 -0.09114 -0.14564 2 41 8 -0.08325 -0.01443 -0.16687 0.01805 -0.04713 3 41 8 -0.08593 -0.00289 -0.02516 0.04637 0.09778 1 42 6 0.00605 0.10437 0.09352 -0.01171 0.02426 2 42 6 -0.05653 -0.00029 -0.09232 0.02196 0.02797 3 42 6 -0.15885 -0.03120 -0.17479 0.09571 0.02431 1 43 1 0.01782 0.13549 0.10109 -0.05425 -0.05809 2 43 1 -0.07983 -0.01414 -0.16931 0.00869 -0.07329 3 43 1 -0.15710 -0.01729 -0.18569 0.07055 -0.03904 1 44 1 0.00894 0.10310 0.08056 -0.03392 -0.02358 2 44 1 -0.06251 0.01621 -0.07190 0.05254 0.08342 3 44 1 -0.16143 -0.05873 -0.15132 0.14508 0.15255 1 45 1 -0.00170 0.10320 0.12339 0.04573 0.14688 2 45 1 -0.04192 0.00368 -0.05355 0.02271 0.07269 3 45 1 -0.18249 -0.03761 -0.23242 0.10045 -0.03301 1 46 6 -0.02527 -0.01579 -0.02576 -0.04069 -0.00068 2 46 6 0.00037 0.02070 0.00132 0.00064 -0.01079 3 46 6 0.00359 -0.03334 0.03900 -0.02466 -0.04175 1 47 6 -0.03072 0.00997 0.01227 -0.01602 -0.02395 2 47 6 -0.01904 0.06056 0.07928 0.03518 -0.05340 3 47 6 0.10467 -0.03479 -0.07794 0.04279 -0.00879 1 48 6 0.02705 -0.01164 -0.00868 0.03239 -0.00617 2 48 6 -0.00847 -0.01136 0.09666 0.02496 -0.02213 3 48 6 0.07620 0.01403 -0.07927 0.02980 -0.03428 1 49 6 0.06889 -0.04716 -0.06594 0.03789 0.02314 2 49 6 0.00335 -0.06797 0.07534 0.00277 0.00878 3 49 6 0.02378 0.00695 -0.01312 -0.00491 -0.04571 1 50 6 0.02285 -0.02866 -0.04077 -0.00003 0.01026 2 50 6 0.00452 -0.04366 0.01573 -0.01815 0.00797 3 50 6 -0.02928 0.01786 0.03898 -0.03837 -0.06045 1 51 1 0.00784 -0.05040 -0.07153 -0.03952 0.02764 2 51 1 -0.00850 0.01497 0.03921 0.00136 -0.01872 3 51 1 0.02768 -0.08417 0.04952 -0.02183 -0.02146 1 52 1 0.00479 0.01562 0.03973 0.04185 -0.02877 2 52 1 -0.00690 -0.00492 0.07304 0.01801 -0.02103 3 52 1 0.05026 0.07345 -0.09065 0.01920 -0.06228 1 53 1 0.09600 -0.07711 -0.11413 0.03238 0.04662 2 53 1 0.00287 -0.07860 0.10088 0.01151 0.00943 3 53 1 0.05279 -0.05003 -0.00938 0.00862 -0.01816 1 54 1 0.04723 -0.05047 -0.07493 0.00243 0.01906 2 54 1 0.00783 -0.07745 0.00850 -0.03083 0.01588 3 54 1 -0.06200 0.00713 0.08166 -0.05919 -0.06371 1 55 1 -0.07104 0.04376 0.06482 -0.02495 -0.05684 2 55 1 -0.02808 0.10393 0.08465 0.04560 -0.07768 3 55 1 0.13270 -0.01995 -0.12140 0.06221 -0.00396 1 56 8 -0.06845 0.02567 0.02850 -0.04581 -0.03543 2 56 8 -0.00898 0.07435 0.00948 0.02160 -0.03885 3 56 8 0.04957 -0.02016 -0.02466 0.00881 -0.03027 1 57 8 -0.00049 -0.02535 -0.04809 -0.02279 0.01211 2 57 8 -0.02582 0.06055 0.11955 0.04534 -0.06586 3 57 8 0.14699 -0.11181 -0.07169 0.06210 0.02858 1 58 1 0.03737 -0.04355 -0.06732 0.00283 0.02556 2 58 1 -0.02726 0.03171 0.16385 0.05183 -0.06360 3 58 1 0.17079 -0.11507 -0.09577 0.07612 0.03622 1 59 8 0.06840 -0.03250 -0.03574 0.05983 0.01166 2 59 8 -0.01314 -0.02984 0.16413 0.04495 -0.02612 3 59 8 0.13315 -0.01127 -0.12774 0.06342 -0.00939 1 60 1 0.11133 -0.05282 -0.05980 0.09105 0.02891 2 60 1 -0.00791 -0.07707 0.17507 0.03440 -0.00316 3 60 1 0.11580 0.01017 -0.12207 0.05505 -0.02251 1 61 8 0.12247 -0.06559 -0.08822 0.08801 0.03886 2 61 8 0.01312 -0.13160 0.08717 -0.00786 0.03845 3 61 8 -0.00518 0.05530 -0.01147 -0.01939 -0.07164 1 62 1 0.09178 -0.03962 -0.04142 0.07637 0.02675 2 62 1 0.02114 -0.12779 0.05200 -0.00763 0.03394 3 62 1 -0.04080 0.10639 -0.00278 -0.03858 -0.10120 1 63 6 -0.06361 -0.00544 -0.02235 -0.06557 -0.01138 2 63 6 0.01719 0.03735 -0.06404 0.00320 0.00004 3 63 6 -0.04165 -0.03522 0.08633 -0.04950 -0.05713 1 64 8 -0.10490 0.01569 -0.02801 -0.08205 -0.02544 2 64 8 0.01611 0.11929 -0.13353 0.06048 -0.03019 3 64 8 -0.02025 -0.08957 0.12576 -0.07185 -0.03340 1 65 8 -0.05426 -0.01725 -0.02152 -0.06941 -0.00382 2 65 8 0.03064 -0.02388 -0.04992 -0.04627 0.03291 3 65 8 -0.09673 0.01072 0.08549 -0.04755 -0.08842 1 66 6 -0.11639 0.02330 -0.02877 -0.08491 -0.03081 2 66 6 -0.00014 0.18423 -0.12687 0.10652 -0.07241 3 66 6 0.04431 -0.15225 0.12943 -0.07457 0.00825 1 67 1 -0.15009 0.07623 -0.01315 -0.06239 -0.06881 2 67 1 -0.00240 0.22133 -0.15065 0.13215 -0.08906 3 67 1 0.06275 -0.11988 0.07540 -0.04266 0.00329 1 68 1 -0.07295 -0.01930 -0.03349 -0.08789 -0.00083 2 68 1 -0.01061 0.15881 -0.06317 0.08890 -0.07340 3 68 1 0.07015 -0.18402 0.13781 -0.07962 0.02723 1 69 1 -0.13638 0.02026 -0.04269 -0.10644 -0.02687 2 69 1 0.00119 0.22146 -0.16503 0.13211 -0.08539 3 69 1 0.04530 -0.19979 0.18056 -0.10464 0.02443 1 70 19 -0.04052 -0.02336 -0.01783 -0.02106 -0.02574 2 70 19 0.00403 -0.04314 -0.04121 -0.11861 -0.00665 3 70 19 -0.12180 0.04685 -0.02822 0.04480 0.02309 6 7 8 9 10 A A A A A Frequencies --- 47.0333 52.5757 55.0521 59.5262 70.8315 Reduced masses --- 4.9087 6.1157 6.0297 6.8635 6.3822 Force constants --- 0.0064 0.0100 0.0108 0.0143 0.0189 IR Intensities --- 0.5339 3.0830 0.6366 3.8635 0.3545 Coord Atom Element: 1 1 6 -0.03697 0.00832 -0.00190 -0.05312 0.11157 2 1 6 0.00714 0.08041 0.05345 0.02368 0.04537 3 1 6 0.01444 -0.03063 -0.01781 0.03881 -0.03137 1 2 6 0.00768 -0.00823 -0.01496 0.03412 0.02636 2 2 6 0.02866 0.03580 0.02036 0.07361 -0.03570 3 2 6 0.02030 0.00606 0.01329 0.02818 0.00368 1 3 6 0.00008 -0.02312 -0.02175 0.05101 -0.02028 2 3 6 -0.02936 0.02364 0.01514 0.03143 -0.03352 3 3 6 0.04098 0.03020 0.02414 0.00896 0.07807 1 4 6 -0.08128 -0.02187 -0.00504 -0.05163 0.08072 2 4 6 -0.06346 0.01763 0.01607 -0.00477 -0.00883 3 4 6 0.04265 -0.00484 -0.00760 0.04419 -0.00859 1 5 6 -0.07655 -0.00724 -0.00191 -0.08398 0.12532 2 5 6 -0.04153 0.05127 0.03821 -0.01529 0.04280 3 5 6 0.02873 -0.02714 -0.02201 0.04962 -0.04213 1 6 1 0.03931 -0.01657 -0.02548 0.08039 -0.02925 2 6 1 -0.06088 0.04926 0.04059 -0.03917 0.07674 3 6 1 0.05893 0.06103 0.04273 -0.02022 0.16665 1 7 1 -0.13904 -0.03206 0.00296 -0.10538 0.11917 2 7 1 -0.03896 -0.00594 -0.00676 0.05393 -0.09385 3 7 1 0.00958 -0.02866 -0.01555 0.03690 -0.03051 1 8 1 -0.11049 -0.01411 -0.00202 -0.13635 0.14706 2 8 1 -0.06186 0.04761 0.03851 -0.04717 0.05617 3 8 1 0.02673 -0.03864 -0.03408 0.06051 -0.06406 1 9 1 0.03461 -0.02333 -0.02475 0.04891 0.01461 2 9 1 0.04112 0.03841 0.02199 0.08067 -0.03195 3 9 1 0.02886 0.03893 0.03506 0.03445 0.03505 1 10 8 0.00488 0.01797 -0.00091 0.00783 0.09036 2 10 8 0.03453 0.08700 0.05415 0.06399 0.03163 3 10 8 0.01448 -0.01024 0.00105 0.02307 -0.00565 1 11 8 -0.00885 -0.00264 -0.01038 0.03803 0.00205 2 11 8 0.04247 -0.00574 -0.00413 0.08420 -0.08222 3 11 8 0.00562 -0.03348 -0.00885 0.04102 -0.08208 1 12 8 0.01380 -0.05021 -0.03802 0.11845 -0.13869 2 12 8 -0.02537 -0.01720 -0.01944 0.09228 -0.16407 3 12 8 0.04211 0.04762 0.04080 -0.01075 0.12639 1 13 1 -0.00894 -0.06463 -0.03597 0.09134 -0.14402 2 13 1 -0.08315 -0.03689 -0.01650 0.00105 -0.11737 3 13 1 0.06031 0.06181 0.03867 0.00720 0.14042 1 14 8 -0.10320 -0.03023 -0.00347 -0.05986 0.07779 2 14 8 -0.14462 -0.00151 0.01667 -0.09143 0.04846 3 14 8 0.09744 0.01447 -0.01079 0.07159 -0.00869 1 15 1 -0.05472 -0.02438 -0.01128 -0.01888 0.04671 2 15 1 -0.16821 0.02885 0.04111 -0.13724 0.13060 3 15 1 0.13112 0.03808 -0.00407 0.08476 0.00926 1 16 6 -0.04449 -0.00589 -0.01794 -0.09640 0.08541 2 16 6 0.03637 0.10297 0.06551 0.03542 0.04243 3 16 6 -0.00884 -0.04394 -0.02224 0.04193 -0.02038 1 17 8 -0.04930 -0.01801 -0.03120 -0.12591 0.06130 2 17 8 0.01957 0.01731 0.01027 0.03704 0.00314 3 17 8 -0.00065 0.01079 0.00609 0.00396 -0.01977 1 18 8 -0.05024 -0.02060 -0.02859 -0.10528 0.07408 2 18 8 0.07413 0.19164 0.12053 0.04956 0.07145 3 18 8 -0.03487 -0.09989 -0.04768 0.07542 -0.00066 1 19 6 -0.03281 0.02757 -0.00313 -0.12591 0.08361 2 19 6 -0.02550 -0.11400 -0.07194 0.03639 -0.06466 3 19 6 0.03982 0.07037 0.03039 -0.02025 -0.02934 1 20 1 -0.06764 -0.04173 -0.03865 -0.12206 0.08058 2 20 1 -0.06227 -0.24198 -0.15635 0.08183 -0.18532 3 20 1 0.04127 0.03443 -0.00140 0.00891 -0.11266 1 21 1 -0.00050 0.13365 0.06546 -0.13008 0.15148 2 21 1 -0.03124 -0.13545 -0.08634 0.04656 -0.08795 3 21 1 0.06526 0.16871 0.09727 -0.08230 0.09400 1 22 1 -0.01882 0.02271 -0.01705 -0.12813 0.03236 2 22 1 -0.01535 -0.06298 -0.03477 -0.01817 0.02829 3 22 1 0.04238 0.05583 0.01608 -0.00741 -0.07087 1 23 6 0.00249 0.01027 -0.01980 0.05017 0.02330 2 23 6 0.02059 -0.02752 -0.02440 0.01020 0.00445 3 23 6 -0.00829 -0.02115 -0.03929 0.01327 0.01758 1 24 6 0.00188 0.01233 -0.01933 0.03277 -0.01514 2 24 6 -0.03505 -0.07228 -0.01158 0.00693 -0.01567 3 24 6 -0.00437 0.00103 -0.03334 -0.00115 0.03596 1 25 6 -0.01029 -0.01269 -0.00156 0.02972 0.00486 2 25 6 -0.03978 -0.06788 -0.02111 0.00454 -0.03414 3 25 6 -0.04904 -0.02726 -0.05972 -0.00156 -0.00600 1 26 6 -0.00982 -0.01410 -0.00091 0.02903 0.00256 2 26 6 -0.02744 -0.04014 -0.04089 -0.00229 -0.05381 3 26 6 -0.04480 -0.03014 -0.04629 -0.00155 -0.03094 1 27 6 -0.01800 -0.00646 -0.01878 0.01868 0.02462 2 27 6 0.02356 -0.02208 -0.02151 0.03994 -0.03767 3 27 6 -0.03113 -0.02827 -0.03362 0.00799 -0.03907 1 28 1 -0.00165 -0.01666 -0.01929 0.07887 0.06484 2 28 1 0.01327 -0.02473 -0.02790 -0.01550 0.03470 3 28 1 -0.00729 -0.04802 -0.03529 0.06207 0.03310 1 29 1 -0.01203 -0.02178 0.00968 0.02766 -0.00970 2 29 1 -0.07533 -0.09397 -0.03461 0.00486 -0.05046 3 29 1 -0.05992 -0.03166 -0.06942 -0.00029 -0.00468 1 30 1 -0.01660 -0.03145 0.01289 0.03644 0.00710 2 30 1 -0.03410 -0.03624 -0.04973 -0.01389 -0.06332 3 30 1 -0.07327 -0.03589 -0.05980 -0.03102 -0.05544 1 31 1 -0.04435 -0.01560 -0.03945 -0.02415 0.07452 2 31 1 0.04191 -0.01791 -0.01433 0.05054 -0.02833 3 31 1 -0.05627 -0.03376 -0.04275 -0.00517 -0.05765 1 32 1 -0.00095 -0.01691 -0.03917 0.06567 -0.00618 2 32 1 -0.06103 -0.08268 -0.01944 -0.00324 -0.04279 3 32 1 0.01160 0.00961 -0.02825 0.00245 0.05297 1 33 8 0.01077 0.04223 -0.01914 0.01360 -0.03225 2 33 8 -0.00965 -0.05782 -0.01592 0.02091 -0.00677 3 33 8 0.00948 -0.02222 -0.04390 0.03636 0.07181 1 34 8 0.00644 0.03802 -0.00651 0.00889 -0.03473 2 34 8 -0.02461 -0.07162 0.01507 0.00283 0.01685 3 34 8 0.00256 0.04820 -0.00989 -0.04881 0.00239 1 35 8 -0.02283 -0.02773 0.00104 0.02982 0.04008 2 35 8 -0.01129 -0.05532 0.00234 0.00147 -0.00363 3 35 8 -0.07866 -0.04354 -0.08028 0.00188 -0.02149 1 36 1 -0.02230 -0.02600 0.00104 0.02791 0.04156 2 36 1 -0.03443 -0.10113 0.00691 0.03368 0.01802 3 36 1 -0.06857 -0.01731 -0.08094 -0.02563 -0.00676 1 37 8 0.00314 -0.00051 -0.00189 0.02477 -0.00954 2 37 8 -0.05427 -0.03903 -0.06054 -0.03630 -0.07518 3 37 8 -0.01237 -0.02570 -0.02570 0.03313 -0.01502 1 38 1 0.00319 -0.00177 -0.00251 0.02557 -0.01018 2 38 1 -0.04981 -0.02797 -0.06314 -0.04765 -0.08263 3 38 1 -0.01081 -0.03026 -0.02954 0.03566 -0.01985 1 39 6 0.04015 0.01388 -0.03601 0.12075 0.07523 2 39 6 0.05051 0.01944 -0.04430 0.00517 0.03347 3 39 6 -0.01290 0.02497 -0.04380 -0.05678 -0.00083 1 40 8 0.18233 -0.05423 -0.06747 -0.09279 0.01103 2 40 8 0.10556 -0.04237 -0.05030 -0.07177 -0.00225 3 40 8 -0.06575 0.12460 -0.04834 0.00451 0.04421 1 41 8 -0.03122 0.06115 -0.03325 0.34643 0.18692 2 41 8 0.03175 0.10702 -0.06408 0.06550 0.09850 3 41 8 0.01845 -0.01544 -0.04005 -0.15713 -0.05978 1 42 6 0.29163 -0.10031 -0.12636 -0.07091 0.11236 2 42 6 0.16349 -0.01573 -0.08961 -0.08870 0.05382 3 42 6 -0.10380 0.20001 -0.03772 -0.03515 0.01247 1 43 1 0.29347 -0.08550 -0.15145 0.11459 0.25982 2 43 1 0.02974 0.12592 -0.06544 0.13867 0.15859 3 43 1 -0.12874 0.23539 -0.04644 0.10737 0.11102 1 44 1 0.22926 -0.06315 -0.10918 0.04503 0.15445 2 44 1 0.29293 -0.07179 -0.14066 -0.23461 0.04770 3 44 1 -0.05124 0.12712 -0.02104 -0.32307 -0.18563 1 45 1 0.44006 -0.19063 -0.16378 -0.36621 -0.00463 2 45 1 0.20925 -0.08255 -0.09232 -0.18493 -0.00400 3 45 1 -0.16019 0.29549 -0.03758 0.08437 0.09069 1 46 6 -0.00792 -0.00110 0.01797 0.00294 -0.06104 2 46 6 -0.01110 -0.01683 -0.01711 -0.00771 0.01787 3 46 6 0.00626 -0.00072 0.07048 -0.03234 0.00052 1 47 6 0.00874 0.07181 0.00108 -0.01268 -0.10670 2 47 6 0.01626 0.10854 -0.04369 -0.03876 -0.05450 3 47 6 0.00491 -0.01697 0.04186 -0.01604 0.01123 1 48 6 0.01391 0.08680 -0.01030 -0.00299 -0.11481 2 48 6 0.00527 0.03551 0.01452 -0.01495 -0.01348 3 48 6 0.00945 0.02083 0.01247 -0.03433 -0.01243 1 49 6 0.00335 0.02189 0.00525 0.01666 -0.07792 2 49 6 -0.01025 -0.05663 0.06087 0.00915 0.03801 3 49 6 0.00846 0.01918 0.03829 -0.03747 -0.01091 1 50 6 -0.00122 0.01734 0.00256 0.01025 -0.06698 2 50 6 -0.01971 -0.06828 0.02704 0.00446 0.03053 3 50 6 0.00775 0.02046 0.05074 -0.04348 -0.00147 1 51 1 -0.02021 -0.05738 0.03073 0.01964 -0.03173 2 51 1 -0.00543 0.00847 -0.02115 -0.01089 0.00325 3 51 1 0.00146 -0.02450 0.07897 -0.01751 0.01046 1 52 1 0.02556 0.15330 -0.02775 -0.01829 -0.15225 2 52 1 0.00201 0.02075 0.01009 -0.01476 -0.00511 3 52 1 0.01462 0.06467 -0.02697 -0.05514 -0.03785 1 53 1 -0.00783 -0.03773 0.01994 0.03222 -0.04867 2 53 1 -0.00659 -0.04886 0.07375 0.01198 0.03537 3 53 1 0.00431 -0.02990 0.08366 -0.01388 0.01625 1 54 1 -0.00505 0.00251 0.00922 0.01234 -0.08298 2 54 1 -0.02459 -0.09611 0.05338 0.00748 0.02348 3 54 1 0.00700 0.00754 0.07319 -0.04268 0.01406 1 55 1 0.02013 0.13824 -0.01935 -0.03586 -0.14565 2 55 1 0.02664 0.17108 -0.08131 -0.05742 -0.09177 3 55 1 0.00534 -0.01227 0.02054 -0.01425 0.00784 1 56 8 0.00623 0.06268 0.00828 -0.01813 -0.09683 2 56 8 0.00400 0.04966 -0.04366 -0.02729 -0.01421 3 56 8 0.00673 -0.00369 0.05195 -0.02775 0.00742 1 57 8 -0.00770 -0.02139 0.03357 0.01414 -0.05216 2 57 8 0.02505 0.15343 -0.05162 -0.04887 -0.08207 3 57 8 -0.00181 -0.06913 0.08506 0.00953 0.03935 1 58 1 -0.00649 -0.02038 0.02430 0.01995 -0.05240 2 58 1 0.02818 0.16524 -0.03508 -0.04737 -0.09059 3 58 1 -0.00190 -0.07159 0.07456 0.01262 0.04145 1 59 8 0.01378 0.07632 -0.01134 0.00737 -0.10828 2 59 8 0.01506 0.07894 0.02773 -0.01650 -0.03875 3 59 8 0.00739 -0.00144 0.00883 -0.02013 0.00174 1 60 1 0.01482 0.07302 -0.01513 0.01631 -0.10581 2 60 1 0.00612 0.01806 0.07227 0.00657 0.00058 3 60 1 0.00967 0.01783 -0.00303 -0.03029 -0.01079 1 61 8 0.00971 0.03373 0.00733 0.02769 -0.09174 2 61 8 -0.02065 -0.13172 0.11854 0.03673 0.08288 3 61 8 0.01221 0.06205 0.00138 -0.05986 -0.03396 1 62 1 0.01237 0.05733 -0.00523 0.02413 -0.08706 2 62 1 -0.02051 -0.12901 0.11054 0.02649 0.06780 3 62 1 0.01702 0.10682 -0.03513 -0.08662 -0.05589 1 63 6 -0.00934 -0.02480 0.06172 -0.00562 -0.06120 2 63 6 -0.01975 -0.05089 -0.01471 -0.00594 0.03804 3 63 6 0.01065 -0.00012 0.10638 -0.03871 -0.01444 1 64 8 -0.00285 -0.06014 0.14619 -0.01091 -0.06620 2 64 8 0.01311 -0.06475 0.11216 -0.01934 0.05185 3 64 8 -0.00996 0.02449 -0.00395 -0.02809 -0.01999 1 65 8 -0.01535 -0.02223 0.03362 -0.00297 -0.05877 2 65 8 -0.05480 -0.06561 -0.11795 0.00444 0.04256 3 65 8 0.03369 -0.02547 0.23817 -0.04967 -0.02523 1 66 6 0.00008 -0.06796 0.17208 -0.01311 -0.06763 2 66 6 0.04938 -0.00775 0.17857 -0.04012 0.02071 3 66 6 -0.03884 0.04521 -0.15979 -0.01093 -0.00425 1 67 1 0.02946 -0.03455 0.24997 -0.03036 -0.09534 2 67 1 0.06552 -0.00138 0.22815 -0.04861 0.01758 3 67 1 -0.02893 0.03431 -0.12092 -0.01485 0.00883 1 68 1 -0.02026 -0.06409 0.07577 -0.00018 -0.05321 2 68 1 0.04561 0.03363 0.12117 -0.03998 -0.00335 3 68 1 -0.05251 0.05506 -0.23145 -0.00266 0.00058 1 69 1 -0.00559 -0.11495 0.21689 -0.00938 -0.05397 2 69 1 0.06331 -0.01514 0.23518 -0.04692 0.02546 3 69 1 -0.05600 0.06133 -0.23914 -0.00268 -0.01244 1 70 19 -0.01108 0.00857 0.02185 -0.04449 0.00709 2 70 19 -0.03314 -0.01253 -0.05062 -0.06776 0.01076 3 70 19 0.00759 -0.08412 0.01044 0.07773 0.02535 11 12 13 14 15 A A A A A Frequencies --- 78.6791 79.9310 85.5648 92.9349 100.2066 Reduced masses --- 6.6027 8.5128 6.2372 1.2028 5.0056 Force constants --- 0.0241 0.0320 0.0269 0.0061 0.0296 IR Intensities --- 3.0938 4.0002 8.9302 0.8410 2.9123 Coord Atom Element: 1 1 6 -0.02884 -0.03817 0.01632 0.00566 0.06415 2 1 6 -0.02037 -0.03405 -0.01834 -0.01197 0.05370 3 1 6 -0.00709 0.02244 0.04241 0.01266 -0.03795 1 2 6 -0.03552 0.02717 0.01979 -0.00183 0.02819 2 2 6 -0.02214 0.01374 -0.01211 -0.00413 0.03024 3 2 6 -0.01007 0.03145 0.04420 0.00372 -0.06475 1 3 6 -0.03071 0.09539 0.00474 0.00035 -0.00234 2 3 6 -0.00108 0.00656 -0.03074 0.00112 0.05546 3 3 6 -0.02380 -0.06958 0.07545 -0.00010 -0.02703 1 4 6 -0.02429 0.00586 0.07421 0.00212 -0.05462 2 4 6 0.00440 -0.01608 -0.01463 0.00342 0.04222 3 4 6 -0.01174 0.00086 0.02013 0.00899 0.00518 1 5 6 -0.02499 -0.04386 0.04151 0.01710 0.04575 2 5 6 -0.00617 -0.04555 -0.01586 0.00167 0.06484 3 5 6 -0.00557 0.02298 0.02299 0.00864 -0.01795 1 6 1 -0.03766 0.08593 -0.00754 -0.00093 0.02974 2 6 1 -0.00470 -0.10952 0.03089 -0.00415 0.04630 3 6 1 -0.03512 -0.18613 0.11619 -0.00661 0.00348 1 7 1 -0.01897 -0.01496 0.13620 -0.00458 -0.16522 2 7 1 0.00953 0.05764 -0.04949 0.00250 0.03598 3 7 1 -0.00403 0.03028 0.05041 0.00285 -0.09196 1 8 1 -0.01216 -0.04095 0.01966 0.03627 0.03590 2 8 1 0.00156 -0.04326 -0.02883 0.01229 0.05792 3 8 1 -0.00249 0.01582 0.02146 0.00355 0.00831 1 9 1 -0.04834 0.03932 0.04206 0.00221 -0.01118 2 9 1 -0.02798 0.01356 -0.00313 -0.00544 0.01836 3 9 1 -0.01382 0.01240 0.04459 -0.00789 -0.05205 1 10 8 -0.04319 -0.04993 0.04117 -0.00616 0.07147 2 10 8 -0.02898 -0.04155 -0.00168 -0.01993 0.05909 3 10 8 -0.00786 0.02894 0.04220 0.01027 -0.06063 1 11 8 -0.02031 0.05177 -0.01270 -0.00436 0.05290 2 11 8 -0.02907 0.06085 -0.00147 0.00771 -0.02968 3 11 8 0.00618 0.11771 0.00057 0.01231 -0.08606 1 12 8 -0.03134 0.26304 -0.04007 0.00492 -0.05640 2 12 8 0.01355 0.14380 -0.10754 0.01051 0.06628 3 12 8 -0.03289 -0.11111 0.11083 -0.00490 -0.04679 1 13 1 -0.03378 0.27922 -0.01599 0.00227 -0.12516 2 13 1 0.02012 0.06956 -0.05331 0.00425 -0.00785 3 13 1 -0.02883 -0.14296 0.09011 -0.00256 0.02534 1 14 8 -0.02145 0.02146 0.10625 -0.00650 -0.14048 2 14 8 0.01542 -0.06816 0.03450 0.01174 -0.00890 3 14 8 -0.02023 -0.02292 -0.04833 0.02513 0.18090 1 15 1 -0.02732 0.03541 0.05342 0.00121 -0.03959 2 15 1 0.01540 -0.13656 0.06513 0.00955 -0.00311 3 15 1 -0.02599 -0.04974 -0.08202 0.03140 0.28329 1 16 6 -0.00396 0.03460 -0.04258 0.00240 -0.00327 2 16 6 -0.02005 0.01142 -0.05171 -0.01273 0.01535 3 16 6 -0.01545 -0.03778 0.09108 0.01169 0.01486 1 17 8 0.01513 0.09507 -0.07971 -0.01286 -0.06668 2 17 8 -0.00582 0.06125 -0.07014 0.02055 -0.03950 3 17 8 -0.00272 -0.00200 0.05794 -0.03142 -0.02002 1 18 8 0.00289 0.05043 -0.04902 0.00237 -0.02175 2 18 8 -0.03272 0.00919 -0.06959 -0.03526 0.03426 3 18 8 -0.03691 -0.13889 0.16857 0.04530 0.10119 1 19 6 0.01047 0.09800 -0.12045 0.00049 -0.06911 2 19 6 0.00970 0.06497 0.04060 -0.02727 -0.04441 3 19 6 0.01874 0.12495 -0.10507 -0.03993 -0.14819 1 20 1 0.00457 0.04495 -0.04847 0.07513 -0.01780 2 20 1 0.01949 0.01725 0.35694 -0.46084 0.01317 3 20 1 0.03039 0.13290 0.06272 -0.40792 -0.14772 1 21 1 -0.00456 0.08699 -0.22690 0.09795 -0.05945 2 21 1 0.01107 0.05397 0.10544 -0.12219 -0.03115 3 21 1 0.01508 0.19676 -0.47530 0.52183 -0.23335 1 22 1 0.02973 0.16894 -0.11800 -0.16784 -0.13767 2 22 1 0.00978 0.12711 -0.25892 0.46898 -0.11899 3 22 1 0.02566 0.13513 -0.03008 -0.22332 -0.15447 1 23 6 -0.00184 0.01816 -0.01006 -0.00558 0.06271 2 23 6 -0.03987 -0.01048 0.01640 0.00425 -0.02816 3 23 6 0.04653 0.03784 -0.02346 -0.00026 -0.00780 1 24 6 0.02376 0.00823 0.00370 -0.00023 0.03355 2 24 6 -0.04848 -0.03477 0.00998 0.00385 -0.00174 3 24 6 0.00795 0.04679 -0.01900 -0.00405 0.02736 1 25 6 -0.02609 0.03392 -0.00817 -0.00291 0.03698 2 25 6 -0.01683 -0.05323 0.02060 0.00611 0.00148 3 25 6 0.09198 -0.00908 -0.01319 -0.00060 0.05236 1 26 6 -0.03089 0.03810 -0.00422 -0.00197 0.02923 2 26 6 0.03893 -0.06873 0.05055 0.01102 -0.01106 3 26 6 0.08713 0.00831 0.00117 0.00495 0.00212 1 27 6 -0.01142 0.01334 -0.00487 -0.00521 0.06168 2 27 6 -0.01998 -0.00273 0.02150 0.00815 -0.03614 3 27 6 0.06411 0.03171 -0.00289 0.00603 -0.02013 1 28 1 -0.01207 0.01509 -0.03304 -0.00970 0.06952 2 28 1 -0.05417 -0.00607 0.00668 -0.00029 -0.00709 3 28 1 0.04724 0.03174 -0.03754 -0.00055 -0.01886 1 29 1 -0.04004 0.05044 -0.00017 0.00058 0.00110 2 29 1 0.02445 -0.08818 0.01607 0.00603 0.03489 3 29 1 0.11250 -0.02857 -0.01864 -0.00227 0.08021 1 30 1 -0.05779 0.04192 -0.02128 -0.00407 0.03002 2 30 1 0.06263 -0.08291 0.06701 0.01329 -0.00994 3 30 1 0.13400 -0.03098 0.03323 0.00960 0.00626 1 31 1 0.01277 -0.05452 0.00527 -0.00819 0.08462 2 31 1 -0.04588 0.02334 0.01074 0.00686 -0.04609 3 31 1 0.10112 -0.00193 0.01239 0.00820 -0.00686 1 32 1 0.08791 -0.01426 -0.01413 0.00030 0.01815 2 32 1 -0.01547 -0.06155 0.01970 0.00571 0.01896 3 32 1 -0.01665 0.06492 -0.02607 -0.00563 0.01648 1 33 8 0.01040 0.01059 0.02025 0.00071 0.04034 2 33 8 -0.04296 -0.02579 0.01115 0.00478 -0.02468 3 33 8 0.03489 0.05092 -0.04503 -0.00576 0.00255 1 34 8 -0.00877 0.00191 0.01310 -0.00003 0.03580 2 34 8 -0.08746 0.00703 -0.00269 -0.00027 0.00558 3 34 8 -0.06942 0.04472 0.00371 -0.00350 0.03503 1 35 8 -0.06164 0.03283 -0.03572 -0.01070 0.08942 2 35 8 -0.09370 -0.00442 0.01389 0.00365 -0.02419 3 35 8 0.15059 -0.05385 -0.01687 -0.00099 0.09347 1 36 1 -0.06695 0.03337 -0.03618 -0.01108 0.09110 2 36 1 -0.05601 -0.01482 -0.01404 -0.00057 0.02046 3 36 1 0.07957 -0.04418 -0.01827 -0.00475 0.10326 1 37 8 -0.01986 0.05441 0.01563 0.00237 -0.00391 2 37 8 0.09375 -0.10659 0.08847 0.01572 -0.00136 3 37 8 0.03507 0.05026 -0.02935 0.00170 -0.01811 1 38 1 -0.02011 0.05092 0.03056 0.00529 -0.00121 2 38 1 0.10636 -0.07392 0.05365 0.00821 -0.03556 3 38 1 0.03572 0.03160 0.03943 0.01463 -0.00973 1 39 6 0.03083 0.02076 0.00535 -0.00219 0.02096 2 39 6 -0.01140 0.00712 0.04330 0.00548 -0.03125 3 39 6 0.04650 0.05448 -0.01381 -0.00284 0.03064 1 40 8 0.03160 0.01637 -0.02050 -0.00854 0.08938 2 40 8 -0.02426 -0.00322 0.02398 0.00409 -0.01812 3 40 8 0.07874 0.08353 0.02401 -0.00155 0.03690 1 41 8 0.06840 0.02188 0.04675 0.00706 -0.08007 2 41 8 0.03939 0.03911 0.09651 0.00953 -0.04607 3 41 8 0.01987 0.04688 -0.04262 -0.00728 0.07357 1 42 6 0.10387 0.00065 0.04206 0.00361 -0.01747 2 42 6 0.02983 0.00961 0.06970 0.00804 -0.03567 3 42 6 0.07424 0.11352 0.01456 -0.00919 0.12252 1 43 1 0.17430 -0.00423 0.13328 0.02341 -0.24742 2 43 1 0.07067 0.04689 0.14277 0.01941 -0.20115 3 43 1 0.11950 0.11829 0.07726 0.00353 -0.03113 1 44 1 0.11026 0.00626 0.06659 0.00986 -0.11056 2 44 1 0.05933 0.00049 0.07143 0.00522 0.04089 3 44 1 -0.01678 0.10457 -0.11033 -0.03457 0.43191 1 45 1 0.07902 -0.01261 -0.02596 -0.01319 0.22562 2 45 1 0.00139 -0.00816 0.02908 0.00234 0.04120 3 45 1 0.11661 0.14060 0.07153 -0.00198 0.02814 1 46 6 -0.04269 -0.03005 0.02362 0.00328 0.01488 2 46 6 -0.08978 0.01312 -0.01453 -0.00264 0.01659 3 46 6 -0.01242 0.03253 0.02248 0.00104 0.00464 1 47 6 -0.03205 -0.06988 0.03843 0.00767 -0.01235 2 47 6 -0.04771 -0.05577 -0.00051 0.00291 -0.03553 3 47 6 0.02262 -0.00478 -0.01720 -0.00215 -0.00804 1 48 6 0.06058 -0.11171 0.01556 0.00651 -0.03042 2 48 6 0.06799 -0.03004 -0.01976 -0.00236 -0.00359 3 48 6 -0.08480 -0.00660 0.00453 0.00188 -0.02377 1 49 6 0.00403 -0.07205 0.02027 0.00629 -0.01195 2 49 6 0.03353 0.03501 -0.00971 -0.00365 0.03500 3 49 6 -0.04048 0.00924 0.01117 0.00096 -0.00599 1 50 6 -0.02741 -0.04337 0.02561 0.00491 0.00465 2 50 6 -0.06535 0.02511 -0.00631 -0.00198 0.01756 3 50 6 -0.03530 0.03711 0.01672 -0.00055 0.01311 1 51 1 0.00030 -0.02523 -0.00049 -0.00065 0.02403 2 51 1 -0.11018 0.01343 0.00462 0.00039 0.01174 3 51 1 0.00369 0.03907 0.02695 0.00160 0.00714 1 52 1 0.14703 -0.16162 0.00432 0.00633 -0.05207 2 52 1 -0.00746 -0.00924 -0.00824 -0.00101 0.00032 3 52 1 -0.21654 -0.00846 0.02749 0.00627 -0.04145 1 53 1 -0.04972 -0.03964 0.02579 0.00632 0.00239 2 53 1 0.08609 0.02955 -0.01247 -0.00405 0.03976 3 53 1 0.01593 0.03412 0.01153 0.00013 0.02090 1 54 1 -0.04034 -0.06935 0.03190 0.00786 -0.01778 2 54 1 -0.06736 0.01513 0.00301 0.00024 0.00423 3 54 1 -0.01896 0.06410 0.01874 -0.00229 0.03087 1 55 1 -0.06747 -0.09143 0.05909 0.01209 -0.04219 2 55 1 -0.10511 -0.08511 0.01373 0.00729 -0.06771 3 55 1 -0.00629 -0.01581 -0.02119 -0.00160 -0.01438 1 56 8 -0.08506 -0.03685 0.05200 0.00782 0.00402 2 56 8 -0.13205 -0.00588 -0.00262 0.00035 0.00101 3 56 8 -0.00936 0.01885 0.00217 -0.00091 0.00043 1 57 8 -0.01876 -0.02379 0.02096 0.00228 0.03535 2 57 8 -0.00872 -0.08858 0.00135 0.00487 -0.06313 3 57 8 0.18812 -0.01392 -0.05140 -0.00785 0.00699 1 58 1 -0.00456 -0.03947 0.01426 0.00277 0.02196 2 58 1 0.09842 -0.11413 -0.01242 0.00328 -0.07257 3 58 1 0.16672 -0.01658 -0.05163 -0.00709 0.00112 1 59 8 0.10508 -0.12594 0.00042 0.00519 -0.03559 2 59 8 0.28210 -0.09017 -0.05166 -0.00597 -0.01715 3 59 8 -0.06562 -0.01428 -0.01021 0.00076 -0.02843 1 60 1 0.16979 -0.15096 -0.02012 0.00349 -0.04628 2 60 1 0.31374 -0.04239 -0.04862 -0.00808 0.02673 3 60 1 -0.09838 -0.01929 -0.00368 0.00199 -0.03753 1 61 8 0.06869 -0.11151 0.00805 0.00726 -0.02690 2 61 8 0.07410 0.08888 -0.00402 -0.00537 0.08136 3 61 8 -0.09351 -0.00914 0.01242 0.00164 -0.02974 1 62 1 0.12151 -0.10734 0.00097 0.00485 -0.00112 2 62 1 0.00004 0.07919 0.00383 -0.00309 0.04898 3 62 1 -0.15267 -0.02091 0.01633 0.00211 -0.05064 1 63 6 -0.01216 -0.03308 0.02205 0.00309 0.00347 2 63 6 -0.03155 0.00538 -0.05152 -0.00828 0.02592 3 63 6 -0.02896 0.03814 0.05224 0.00551 -0.00838 1 64 8 0.03707 -0.02654 0.04449 0.00637 -0.01021 2 64 8 0.03007 0.04357 -0.03469 -0.00810 0.03727 3 64 8 -0.08707 0.01473 0.03329 0.00393 -0.00734 1 65 8 -0.01613 -0.03899 0.01087 0.00159 0.00610 2 65 8 -0.02219 -0.03118 -0.09574 -0.01342 0.02660 3 65 8 0.00566 0.05875 0.09916 0.01213 -0.02840 1 66 6 0.04976 -0.02269 0.05293 0.00757 -0.01418 2 66 6 -0.00614 0.05959 0.02653 0.00185 0.00892 3 66 6 -0.13634 -0.01520 -0.03203 -0.00554 0.02102 1 67 1 0.03362 -0.00498 0.11419 0.01725 -0.04096 2 67 1 0.00503 0.07058 0.04331 0.00422 0.00137 3 67 1 -0.10484 -0.00667 -0.04252 -0.00774 0.02541 1 68 1 0.02868 -0.04166 0.00577 0.00054 0.00655 2 68 1 -0.06803 0.04775 0.04616 0.00595 -0.00075 3 68 1 -0.16030 -0.02976 -0.05879 -0.00930 0.03230 1 69 1 0.09931 -0.01418 0.04811 0.00604 -0.00996 2 69 1 0.02073 0.07202 0.03414 0.00253 0.00583 3 69 1 -0.17792 -0.03255 -0.04109 -0.00618 0.02426 1 70 19 -0.00438 -0.06422 -0.13061 -0.01788 -0.03906 2 70 19 0.05459 0.03918 0.03772 0.00370 -0.05542 3 70 19 -0.05114 -0.21918 -0.17930 -0.01715 -0.06707 16 17 18 19 20 A A A A A Frequencies --- 110.7556 115.3634 124.7429 127.6585 130.2314 Reduced masses --- 5.8191 7.1586 2.4135 3.6976 4.4715 Force constants --- 0.0421 0.0561 0.0221 0.0355 0.0447 IR Intensities --- 1.9870 6.6357 3.8002 5.4682 0.9539 Coord Atom Element: 1 1 6 0.08034 -0.02563 -0.00009 0.05599 -0.02793 2 1 6 0.02276 -0.00757 -0.00859 0.04676 0.02333 3 1 6 -0.01315 0.02271 0.02153 -0.02756 -0.00707 1 2 6 0.06583 -0.01141 0.03577 0.03112 -0.01104 2 2 6 0.02781 0.00059 0.01785 0.02097 0.02262 3 2 6 -0.01178 0.02250 -0.00637 0.01622 0.02922 1 3 6 0.07023 -0.00970 0.02666 0.06175 0.00929 2 3 6 0.00213 -0.00763 -0.01092 -0.00125 -0.00855 3 3 6 -0.00508 0.02293 0.01793 -0.01342 0.01078 1 4 6 0.03761 0.00400 0.02537 0.03314 0.00107 2 4 6 -0.01035 -0.00494 -0.01474 -0.01207 -0.01727 3 4 6 0.00026 0.01174 0.01475 -0.01888 -0.01464 1 5 6 0.08558 -0.02011 -0.03135 0.08072 -0.00927 2 5 6 0.01774 -0.01112 -0.03718 0.03686 0.00896 3 5 6 -0.01765 0.01723 0.03366 -0.04700 -0.02543 1 6 1 0.08075 -0.01322 0.03739 0.05144 0.00253 2 6 1 -0.01901 0.00149 -0.01035 -0.03329 -0.01274 3 6 1 -0.01228 0.02681 0.03088 -0.05561 -0.00146 1 7 1 -0.01546 0.02887 0.06279 -0.01678 0.00149 2 7 1 -0.01868 -0.00513 0.00583 -0.02818 -0.02568 3 7 1 -0.04948 0.03258 0.05911 -0.07047 -0.01955 1 8 1 0.08387 -0.02434 -0.07209 0.09717 -0.00553 2 8 1 0.01669 -0.01374 -0.06188 0.04743 0.01152 3 8 1 -0.02397 0.01266 0.04764 -0.07885 -0.05676 1 9 1 0.08597 -0.00251 0.05600 0.04602 0.00868 2 9 1 0.03457 0.00325 0.02685 0.02856 0.03142 3 9 1 -0.01804 0.01951 -0.00257 0.02286 0.03363 1 10 8 0.07184 -0.01819 0.05353 0.02309 -0.03446 2 10 8 0.01964 -0.00514 0.02510 0.02499 0.01835 3 10 8 -0.00693 0.02072 -0.00469 0.00615 0.01646 1 11 8 0.03649 -0.01342 0.00866 0.01235 -0.01895 2 11 8 0.04747 0.01233 0.02128 0.03198 0.04233 3 11 8 -0.02294 0.02293 -0.04380 0.00682 0.03215 1 12 8 0.10513 -0.00979 0.02087 0.15630 0.05721 2 12 8 0.01246 -0.02112 -0.01914 0.02184 -0.02073 3 12 8 -0.00360 0.03142 0.02214 -0.00563 0.02956 1 13 1 0.08763 0.00507 0.03967 0.15137 0.06967 2 13 1 -0.06034 0.00048 0.02096 -0.08531 -0.05692 3 13 1 0.00622 0.01668 0.00547 -0.01674 0.00843 1 14 8 -0.00292 0.02309 0.06531 -0.00596 0.00559 2 14 8 -0.04181 0.00643 -0.01577 -0.04666 -0.03895 3 14 8 0.08719 -0.02703 -0.06170 0.06575 -0.02120 1 15 1 0.05060 -0.00056 0.02931 0.04454 0.00651 2 15 1 -0.04896 0.00918 -0.03945 -0.04348 -0.03828 3 15 1 0.13527 -0.04857 -0.11079 0.11676 -0.02000 1 16 6 0.04087 -0.02540 0.00405 0.04444 -0.01473 2 16 6 0.00172 -0.00989 0.00815 0.01975 -0.01914 3 16 6 0.01779 0.02621 0.00692 0.00289 0.03172 1 17 8 0.00563 -0.02330 0.01364 0.03896 0.01545 2 17 8 -0.04361 -0.01204 0.06242 -0.05384 -0.12596 3 17 8 0.00903 0.03251 -0.02562 0.05300 0.15845 1 18 8 0.02954 -0.02417 0.00874 0.03955 -0.01002 2 18 8 0.01681 -0.01440 -0.01248 0.03141 -0.01439 3 18 8 0.06795 0.02380 0.00837 0.01519 -0.00001 1 19 6 -0.00179 -0.03725 0.03315 0.02534 -0.04966 2 19 6 -0.03028 0.02561 0.01561 -0.02157 0.04802 3 19 6 -0.09988 -0.00804 0.09229 -0.06429 -0.08269 1 20 1 0.04547 0.00907 -0.03496 0.08704 0.15572 2 20 1 0.04211 -0.00569 -0.05745 0.03756 0.05406 3 20 1 -0.08578 -0.06738 0.09436 -0.07116 -0.24216 1 21 1 -0.00870 -0.05575 0.06381 0.00887 -0.14682 2 21 1 -0.01459 0.01621 0.00172 -0.01010 0.03901 3 21 1 -0.19470 0.05611 0.16847 -0.13069 0.00386 1 22 1 -0.05114 -0.07734 0.08730 -0.03227 -0.21097 2 22 1 -0.10928 0.09552 0.06828 -0.07063 0.18100 3 22 1 -0.09824 -0.03984 0.09903 -0.07328 -0.17443 1 23 6 0.04261 -0.02019 0.02136 -0.02333 -0.00728 2 23 6 0.07768 0.00571 0.01951 -0.00935 -0.04401 3 23 6 0.03083 -0.01918 -0.03609 -0.05670 -0.03230 1 24 6 -0.00789 -0.03803 -0.00411 -0.02294 -0.00273 2 24 6 -0.02639 0.02402 0.01900 0.02077 -0.05083 3 24 6 0.03904 0.03508 -0.00655 -0.03945 -0.01706 1 25 6 -0.01156 -0.00702 -0.01729 -0.02450 -0.03772 2 25 6 -0.04374 -0.00032 0.03319 0.04105 -0.03906 3 25 6 -0.04332 -0.03331 0.02904 0.02914 -0.03482 1 26 6 -0.00239 -0.00631 -0.01606 -0.01753 -0.03282 2 26 6 -0.02304 -0.05768 0.04872 0.05883 0.03309 3 26 6 -0.04309 -0.05031 -0.01211 0.01022 0.00966 1 27 6 0.02958 -0.02282 0.01344 -0.00444 -0.03791 2 27 6 0.04440 -0.00194 0.02872 0.01567 0.01074 3 27 6 -0.03830 -0.03154 -0.03013 -0.00596 0.00974 1 28 1 0.08517 -0.02060 0.02119 -0.04994 -0.04491 2 28 1 0.10758 0.01055 0.01351 -0.01661 -0.08966 3 28 1 0.04768 -0.02222 -0.03241 -0.07730 -0.03072 1 29 1 -0.00733 -0.01026 -0.04631 -0.03276 -0.01059 2 29 1 -0.10162 -0.03621 0.06713 0.09356 -0.08175 3 29 1 -0.06479 -0.04428 0.05380 0.05019 -0.06182 1 30 1 -0.02926 0.02120 -0.03174 -0.03251 -0.07226 2 30 1 -0.02683 -0.08274 0.05799 0.07532 0.06143 3 30 1 -0.08256 -0.10018 -0.00095 0.04405 0.05585 1 31 1 0.03005 -0.05016 0.02116 -0.02174 -0.07406 2 31 1 0.07566 0.02108 0.01918 -0.00593 -0.00421 3 31 1 -0.08501 -0.06418 -0.01665 0.02737 0.03522 1 32 1 0.02223 -0.10170 -0.00840 -0.03583 -0.04785 2 32 1 -0.08281 0.02008 0.04013 0.06181 -0.05743 3 32 1 0.06972 0.04745 -0.01985 -0.06350 -0.00851 1 33 8 -0.01327 -0.01540 0.01709 0.00470 0.04142 2 33 8 0.04452 0.00367 0.01737 0.00028 -0.04813 3 33 8 0.10169 -0.01553 -0.03379 -0.09107 -0.06662 1 34 8 -0.03318 -0.00222 -0.00265 -0.01781 0.03274 2 34 8 -0.03510 0.04208 -0.00381 -0.00379 -0.03883 3 34 8 -0.00337 0.12124 0.00717 -0.01016 0.05511 1 35 8 -0.02389 0.04391 0.00486 -0.02406 -0.12827 2 35 8 0.01150 0.07181 -0.00759 -0.01763 -0.03260 3 35 8 -0.09842 -0.08294 0.07426 0.08340 -0.07203 1 36 1 -0.02198 0.05134 0.00648 -0.02307 -0.12948 2 36 1 -0.03634 0.02309 -0.00803 -0.04426 -0.13872 3 36 1 -0.06423 0.01322 0.09204 0.09893 -0.07116 1 37 8 0.02389 -0.02640 -0.03102 -0.02154 0.01903 2 37 8 -0.04846 -0.11285 0.06921 0.09879 0.08746 3 37 8 -0.00912 -0.00349 -0.03756 -0.03003 -0.02534 1 38 1 0.02585 -0.02909 -0.02748 -0.01666 0.02055 2 38 1 -0.03628 -0.11346 0.04846 0.08264 0.12466 3 38 1 -0.00138 -0.01632 -0.02057 -0.00730 -0.00935 1 39 6 0.03116 -0.01867 0.02740 -0.05105 0.02650 2 39 6 0.03826 0.01472 0.02705 0.00268 -0.01995 3 39 6 0.00556 -0.01613 -0.03854 -0.02976 -0.03545 1 40 8 0.01234 -0.02480 0.02389 -0.02020 0.02073 2 40 8 0.06916 0.01012 0.01825 -0.00296 -0.03873 3 40 8 -0.06459 -0.00946 -0.02334 -0.00705 -0.00291 1 41 8 0.00406 -0.01297 0.03257 -0.08943 0.05776 2 41 8 -0.04571 0.02257 0.03809 0.02304 0.01726 3 41 8 0.03740 -0.02021 -0.04350 -0.02106 -0.05765 1 42 6 -0.14622 -0.00452 -0.05318 0.03049 -0.00525 2 42 6 -0.06233 0.02430 0.00240 0.04641 -0.02568 3 42 6 -0.07016 -0.01521 0.03273 0.00258 0.04128 1 43 1 -0.34943 0.05380 -0.36055 0.27946 -0.20155 2 43 1 -0.23402 0.08566 -0.32868 0.38050 -0.24507 3 43 1 -0.21058 0.02758 -0.19314 0.19796 -0.10450 1 44 1 -0.19018 0.02187 -0.21301 0.16575 -0.11912 2 44 1 -0.09526 0.00172 0.16888 -0.08938 0.10825 3 44 1 0.21416 -0.10032 0.49027 -0.39522 0.33609 1 45 1 -0.01951 -0.07073 0.35031 -0.30913 0.27711 2 45 1 0.04019 -0.00586 0.14909 -0.10923 0.06691 3 45 1 -0.21730 0.02476 -0.15458 0.21031 -0.07379 1 46 6 -0.04946 0.05789 -0.01813 -0.04595 0.01863 2 46 6 -0.05152 0.01628 -0.00675 -0.00444 -0.01050 3 46 6 -0.00690 0.00299 -0.00114 0.00025 0.03451 1 47 6 -0.04075 0.00490 -0.02274 -0.05033 0.00912 2 47 6 -0.01336 -0.04700 -0.00921 0.00864 -0.02423 3 47 6 0.01460 0.02734 0.00175 0.01059 -0.00569 1 48 6 0.00928 0.02499 -0.01090 -0.02959 -0.02301 2 48 6 -0.00033 0.03661 -0.00196 0.00007 0.00286 3 48 6 -0.01113 -0.03517 -0.00744 0.00982 -0.01612 1 49 6 -0.04335 -0.06913 -0.01815 -0.03190 -0.02680 2 49 6 -0.06921 -0.04462 -0.01230 -0.01674 0.02449 3 49 6 -0.01162 0.00937 -0.00726 -0.00603 0.01921 1 50 6 -0.03685 -0.00526 -0.01068 -0.02929 -0.00284 2 50 6 -0.04556 0.02021 -0.00434 -0.00091 -0.01828 3 50 6 -0.01093 0.05056 -0.00395 -0.01030 0.05054 1 51 1 -0.03156 0.12511 -0.01145 -0.03480 0.00762 2 51 1 -0.05792 -0.04226 -0.00688 -0.00712 -0.01088 3 51 1 0.00455 -0.01830 0.00723 0.00975 0.01888 1 52 1 0.07326 0.11849 -0.00048 -0.02343 -0.02349 2 52 1 -0.03598 -0.02362 -0.00927 -0.00214 -0.00058 3 52 1 -0.04142 -0.10627 -0.01750 0.01073 -0.02992 1 53 1 -0.08366 -0.12712 -0.02404 -0.03587 -0.03188 2 53 1 -0.07995 -0.07153 -0.01772 -0.02911 0.03885 3 53 1 -0.08124 -0.11802 -0.02591 -0.03759 0.04569 1 54 1 -0.03395 -0.01651 -0.01503 -0.03066 -0.03169 2 54 1 -0.04790 0.01483 -0.01075 -0.00867 -0.02995 3 54 1 -0.01910 0.06304 -0.00531 -0.01825 0.08145 1 55 1 -0.02829 -0.05198 -0.02369 -0.03263 -0.00464 2 55 1 -0.00806 -0.11368 -0.01219 0.02323 -0.05140 3 55 1 0.00844 0.00928 -0.00049 0.00956 -0.02200 1 56 8 -0.06980 -0.00745 -0.02719 -0.06070 0.03587 2 56 8 -0.07026 -0.04539 -0.01752 -0.01722 0.00321 3 56 8 -0.00227 0.01206 -0.00152 0.00353 0.02640 1 57 8 -0.07642 0.07402 -0.02571 -0.08257 0.04105 2 57 8 0.02376 -0.06285 -0.00347 0.03168 -0.04568 3 57 8 0.06210 0.13547 0.01548 0.01449 -0.00174 1 58 1 -0.06254 0.03283 -0.02109 -0.05971 0.00436 2 58 1 0.07417 0.00200 0.00701 0.04410 -0.04608 3 58 1 0.05696 0.09185 0.01552 0.02557 -0.02478 1 59 8 0.03129 0.03100 -0.00435 -0.01682 -0.04298 2 59 8 0.10183 0.20496 0.01836 0.00736 0.01358 3 59 8 -0.00146 -0.06201 -0.00253 0.02696 -0.04619 1 60 1 0.07321 0.06561 0.00676 0.00309 -0.07078 2 60 1 0.02906 0.11666 0.00461 -0.02719 0.05896 3 60 1 0.00532 -0.04743 -0.00234 0.03016 -0.04958 1 61 8 -0.06553 -0.16905 -0.03327 -0.04894 -0.04673 2 61 8 -0.15816 -0.17096 -0.03140 -0.05458 0.06998 3 61 8 0.05358 0.13225 0.01084 0.02511 -0.00077 1 62 1 -0.06075 -0.15311 -0.02214 -0.04790 -0.03046 2 62 1 -0.12603 -0.11335 -0.02974 -0.03712 0.04879 3 62 1 0.12505 0.27292 0.03281 0.06178 -0.01514 1 63 6 -0.03397 0.08756 -0.01734 -0.02619 -0.00588 2 63 6 -0.04979 0.12195 -0.01275 -0.00620 0.00896 3 63 6 0.00321 -0.04665 0.00573 0.01800 -0.00181 1 64 8 -0.00104 0.10057 -0.00762 0.00499 -0.06742 2 64 8 -0.04253 0.14336 -0.01672 -0.02502 0.07700 3 64 8 -0.01728 -0.06302 0.00319 0.01205 -0.01012 1 65 8 -0.03999 0.10112 -0.01986 -0.02989 -0.00042 2 65 8 -0.05765 0.20291 -0.01778 0.00461 -0.01644 3 65 8 0.04381 -0.10228 0.02150 0.05204 -0.05646 1 66 6 0.00929 0.09336 -0.00431 0.01326 -0.08377 2 66 6 -0.02684 -0.11750 -0.00377 -0.01814 0.07786 3 66 6 -0.07534 0.07543 -0.02026 -0.03119 0.06483 1 67 1 0.03466 -0.12061 0.01163 0.03136 -0.11794 2 67 1 -0.01559 -0.18327 0.00013 -0.01602 0.09431 3 67 1 -0.07196 0.09924 -0.02384 -0.03977 0.11914 1 68 1 -0.02620 0.21132 -0.01986 -0.01401 -0.03437 2 68 1 -0.03902 -0.21184 -0.00079 -0.01653 0.03549 3 68 1 -0.09972 0.13427 -0.02958 -0.04798 0.08838 1 69 1 0.02931 0.18052 -0.00037 0.02896 -0.11236 2 69 1 -0.01442 -0.14247 -0.00155 -0.01693 0.10338 3 69 1 -0.09398 0.09535 -0.02362 -0.03480 0.03554 1 70 19 -0.03160 0.00413 -0.02500 0.04697 0.13091 2 70 19 0.17133 -0.08765 -0.08388 -0.09704 0.03821 3 70 19 0.03571 -0.08769 0.00725 0.00318 0.01284 21 22 23 24 25 A A A A A Frequencies --- 134.2452 138.5900 143.5825 151.6508 158.3743 Reduced masses --- 3.7141 6.4583 3.4930 4.6977 5.5679 Force constants --- 0.0394 0.0731 0.0424 0.0637 0.0823 IR Intensities --- 2.4386 8.4487 4.4567 7.0906 8.2555 Coord Atom Element: 1 1 6 -0.01889 -0.01085 -0.05006 0.00224 0.02244 2 1 6 0.03884 0.05918 0.00591 0.00630 0.02714 3 1 6 -0.04352 -0.06894 0.02252 -0.01712 -0.00895 1 2 6 -0.03604 -0.00530 0.03091 0.01715 0.00549 2 2 6 0.00102 0.03165 0.03024 0.03459 -0.01108 3 2 6 0.01662 -0.01437 -0.02970 -0.02043 0.00815 1 3 6 -0.02107 -0.00602 0.00296 0.00462 0.02268 2 3 6 -0.00158 -0.00504 0.00938 0.00091 -0.00816 3 3 6 -0.00632 -0.00431 0.01530 0.00715 -0.01040 1 4 6 -0.01722 -0.00810 -0.01981 0.00345 0.01535 2 4 6 -0.00344 -0.01520 -0.00325 -0.00655 -0.00772 3 4 6 -0.03981 -0.06061 0.02446 -0.01817 -0.00416 1 5 6 0.02449 0.01917 -0.12707 0.00282 0.02319 2 5 6 0.04992 0.05133 -0.05050 0.00347 0.01208 3 5 6 -0.07085 -0.09418 0.05943 -0.02056 -0.01349 1 6 1 -0.03201 0.00106 0.03208 0.02076 0.00881 2 6 1 0.01517 0.03284 0.01046 0.02603 -0.03199 3 6 1 -0.00427 0.03846 0.05173 0.04919 -0.04904 1 7 1 -0.04395 -0.03032 0.02638 0.00396 0.00433 2 7 1 -0.03855 -0.05220 0.04811 -0.01412 -0.01085 3 7 1 -0.08487 -0.10291 0.09602 -0.02264 -0.01510 1 8 1 0.06916 0.04579 -0.21612 -0.00209 0.01909 2 8 1 0.07771 0.06853 -0.10523 0.00066 0.01001 3 8 1 -0.11463 -0.14142 0.08937 -0.02016 -0.02842 1 9 1 -0.03840 0.01290 0.02040 0.04595 -0.00762 2 9 1 0.00176 0.04154 0.03500 0.04172 -0.00899 3 9 1 0.02441 -0.00260 0.00556 -0.03787 0.03635 1 10 8 -0.07787 -0.04785 0.06571 0.01007 0.01720 2 10 8 -0.00109 0.03291 0.07770 0.01262 0.02300 3 10 8 0.00226 -0.02889 -0.03890 -0.01693 -0.00166 1 11 8 -0.01595 -0.00653 0.03288 -0.00162 0.00095 2 11 8 0.01041 0.05269 -0.02171 0.06927 -0.04338 3 11 8 0.04930 0.00272 -0.08427 -0.01422 -0.02451 1 12 8 -0.00927 -0.03131 -0.05541 -0.03251 0.08615 2 12 8 -0.03141 -0.07793 0.00712 -0.04969 0.02327 3 12 8 0.01410 0.03386 0.00448 0.02924 -0.01493 1 13 1 -0.02258 -0.04427 -0.04254 -0.03379 0.08884 2 13 1 -0.08943 -0.11955 0.10495 -0.04097 -0.02700 3 13 1 0.02093 0.04279 0.00407 0.03213 -0.02623 1 14 8 -0.04523 -0.02606 0.04510 0.00646 0.00658 2 14 8 -0.02074 -0.05429 -0.03696 -0.02011 -0.01587 3 14 8 0.01591 -0.02120 -0.10222 -0.02168 0.01595 1 15 1 -0.02055 -0.00531 -0.00315 0.00484 0.02104 2 15 1 0.01628 -0.02445 -0.09299 -0.01404 -0.02502 3 15 1 0.06180 0.01678 -0.18196 -0.01960 0.02456 1 16 6 0.01455 0.04045 -0.03802 0.00436 0.02272 2 16 6 -0.00183 0.00658 -0.00621 -0.01092 0.02355 3 16 6 -0.01265 -0.03067 0.03896 -0.00514 0.00033 1 17 8 0.06394 0.12339 0.01375 0.00053 0.04142 2 17 8 -0.11108 -0.09408 -0.06310 0.02341 -0.00481 3 17 8 0.13666 0.15026 0.15521 -0.03889 0.04414 1 18 8 0.02092 0.05519 -0.03217 0.01057 0.02127 2 18 8 0.00775 -0.01090 0.01198 -0.05850 0.03803 3 18 8 -0.07080 -0.09897 -0.02450 0.03141 -0.01281 1 19 6 0.00638 0.06670 -0.05272 0.02072 0.02953 2 19 6 0.04728 0.06983 0.12956 -0.03292 0.03320 3 19 6 -0.05842 0.00991 0.02378 0.02819 0.02134 1 20 1 0.17247 0.21371 0.12658 -0.04015 0.06016 2 20 1 0.08669 0.06760 0.03900 -0.04638 0.02733 3 20 1 -0.16272 -0.10886 -0.18422 0.06723 -0.00727 1 21 1 -0.08877 -0.03070 -0.16399 0.05654 0.00711 2 21 1 0.04666 0.05932 0.09718 -0.03256 0.02946 3 21 1 -0.02527 0.10448 0.25931 0.01431 0.05117 1 22 1 -0.10907 -0.02346 -0.17440 0.06269 0.01349 2 22 1 0.12491 0.20167 0.40154 -0.06447 0.07099 3 22 1 -0.12001 -0.05605 -0.08779 0.05130 0.00601 1 23 6 -0.02264 0.01539 0.04907 0.04723 -0.03232 2 23 6 0.00513 0.09349 -0.00517 0.06002 -0.03530 3 23 6 0.03071 0.05633 -0.02463 0.05078 -0.04955 1 24 6 -0.00501 0.00742 0.01573 0.03488 -0.03072 2 24 6 0.01975 0.03910 -0.01045 -0.05271 0.00115 3 24 6 -0.00147 0.05520 0.00170 0.04233 -0.04181 1 25 6 0.00853 -0.01088 0.02400 -0.04016 -0.00526 2 25 6 0.01274 0.04232 -0.01461 -0.04248 0.00370 3 25 6 0.01028 0.04754 0.00467 -0.00156 0.00689 1 26 6 0.00530 -0.01447 0.01805 -0.03701 -0.00567 2 26 6 -0.02875 0.02467 -0.02636 0.03915 -0.02817 3 26 6 0.01346 0.01543 -0.04928 0.02134 -0.03398 1 27 6 -0.02071 0.00564 0.04176 0.00061 -0.00344 2 27 6 0.00211 0.06966 -0.02355 0.06904 -0.04711 3 27 6 0.02694 0.01605 -0.05837 0.01284 -0.03790 1 28 1 -0.00681 0.03177 0.06871 0.05114 -0.03425 2 28 1 0.00280 0.10414 0.01602 0.04768 -0.01804 3 28 1 0.04779 0.06292 -0.02416 0.06511 -0.06672 1 29 1 0.01119 -0.03613 -0.01824 -0.02854 -0.03279 2 29 1 0.02534 0.04696 0.01205 -0.11304 0.06895 3 29 1 0.01338 0.06142 0.03324 -0.03020 0.04163 1 30 1 0.03721 -0.00280 0.01446 -0.08297 0.00852 2 30 1 -0.05130 0.00415 -0.02751 0.05221 -0.03167 3 30 1 -0.02262 -0.03611 -0.05591 0.01300 -0.02923 1 31 1 -0.03328 0.02421 0.05437 0.00980 -0.00897 2 31 1 0.01250 0.08779 -0.01762 0.07757 -0.05063 3 31 1 0.01207 -0.01195 -0.06839 0.00087 -0.03301 1 32 1 0.03528 0.02820 0.01717 0.07592 -0.03766 2 32 1 0.02418 0.02262 -0.00751 -0.08518 0.03109 3 32 1 -0.00531 0.05933 0.00006 0.06203 -0.06255 1 33 8 -0.03949 0.00130 0.01609 0.04540 -0.03493 2 33 8 0.01400 0.07180 -0.01126 0.01510 -0.02085 3 33 8 0.03857 0.08256 0.00446 0.08440 -0.05810 1 34 8 -0.03296 0.00338 0.00934 0.01350 -0.01863 2 34 8 0.01918 0.01483 -0.00628 -0.06942 -0.01115 3 34 8 -0.06062 0.03381 -0.00772 0.00279 -0.02810 1 35 8 0.02891 0.01797 0.09351 -0.14663 0.06105 2 35 8 0.01479 0.03840 -0.02955 -0.02484 -0.04719 3 35 8 0.01611 0.06284 0.04146 -0.05254 0.07482 1 36 1 0.02718 0.01735 0.09697 -0.15172 0.06162 2 36 1 0.06989 0.09719 0.00849 -0.08981 0.03683 3 36 1 -0.01159 0.04559 0.07489 -0.10265 0.06653 1 37 8 -0.01020 -0.04768 -0.00153 0.00031 -0.03937 2 37 8 -0.07760 -0.02879 -0.02325 0.04305 -0.02169 3 37 8 0.05500 0.05616 -0.05889 0.02840 -0.05103 1 38 1 -0.01569 -0.05155 -0.00709 0.00464 -0.03873 2 38 1 -0.06804 -0.04257 -0.00854 0.04968 -0.04272 3 38 1 0.02586 0.03162 -0.08162 0.05358 -0.05556 1 39 6 0.00720 0.00550 0.02746 0.06551 -0.05774 2 39 6 0.00817 0.06511 -0.00906 0.04627 -0.02617 3 39 6 0.00539 0.03242 -0.00361 0.02893 -0.02644 1 40 8 -0.03472 -0.00643 0.08753 0.09853 -0.07800 2 40 8 -0.00646 0.09987 0.00817 0.09183 -0.05502 3 40 8 0.01752 -0.04326 -0.01262 -0.05071 0.02487 1 41 8 0.08381 -0.02082 -0.06352 -0.00123 -0.03180 2 41 8 0.03294 -0.01498 -0.03503 -0.04245 0.02800 3 41 8 -0.02962 0.06333 0.03765 0.07756 -0.05110 1 42 6 0.00580 -0.08908 -0.01571 -0.10722 0.05993 2 42 6 0.01367 -0.00072 -0.02863 -0.05427 0.03966 3 42 6 0.00235 -0.09016 0.04652 -0.03073 0.00678 1 43 1 -0.17588 -0.01359 0.05879 -0.10591 0.09017 2 43 1 -0.30360 0.13011 0.23017 0.14165 -0.05070 3 43 1 -0.15413 -0.02510 0.13500 0.00742 0.00548 1 44 1 -0.13703 0.00765 0.09257 0.01194 0.00017 2 44 1 0.20682 -0.17423 -0.20468 -0.30928 0.18572 3 44 1 0.32246 -0.22071 -0.13695 -0.10882 0.00923 1 45 1 0.35415 -0.31544 -0.27219 -0.37563 0.19051 2 45 1 0.14645 -0.03721 -0.13194 -0.10873 0.05956 3 45 1 -0.16892 -0.05748 0.18156 0.02565 -0.01006 1 46 6 -0.03230 0.06373 -0.02615 -0.02032 0.02802 2 46 6 0.01737 -0.01672 0.00436 -0.03602 -0.04255 3 46 6 -0.02498 0.00176 -0.00867 0.02578 0.03436 1 47 6 -0.01893 0.06818 -0.02975 -0.00568 0.04746 2 47 6 0.05058 -0.05351 0.00907 0.02552 -0.00081 3 47 6 0.00941 -0.01973 0.00466 -0.01036 -0.02461 1 48 6 0.00195 0.04948 -0.01643 -0.00857 0.03183 2 48 6 0.00110 -0.00531 -0.00190 -0.01523 -0.01583 3 48 6 0.03876 -0.04864 0.00794 0.01683 -0.00742 1 49 6 0.02767 0.01983 -0.00461 0.01156 0.02396 2 49 6 0.00176 -0.00949 0.00076 0.01195 -0.00995 3 49 6 -0.00388 -0.00484 -0.00770 0.02162 0.01311 1 50 6 -0.01086 0.04048 -0.01121 -0.00901 0.02100 2 50 6 0.01430 -0.00714 0.00000 -0.04768 -0.01897 3 50 6 -0.03995 0.01321 -0.01331 0.02244 0.01789 1 51 1 -0.02675 0.04635 -0.01984 -0.02160 0.02564 2 51 1 0.01254 -0.00023 0.00273 -0.04369 -0.03639 3 51 1 -0.02557 0.00896 -0.00321 0.01153 0.04189 1 52 1 -0.02176 0.07993 -0.02612 -0.02490 0.03808 2 52 1 0.02106 -0.02922 0.00382 -0.00064 -0.01457 3 52 1 0.07387 -0.08542 0.01343 0.04293 0.00594 1 53 1 0.04409 0.00632 0.00073 0.01798 0.02234 2 53 1 -0.00018 -0.00101 -0.00194 0.04046 -0.00268 3 53 1 0.01100 -0.00291 -0.00713 0.09462 0.02778 1 54 1 0.01144 0.04787 -0.01818 -0.02366 0.04160 2 54 1 0.02041 0.01063 -0.01195 -0.05842 0.01096 3 54 1 -0.06771 0.02585 -0.01862 0.03165 0.02456 1 55 1 0.01802 0.01313 -0.01856 0.06562 0.09418 2 55 1 0.09823 -0.10611 0.02187 0.07777 0.02641 3 55 1 0.02564 -0.02409 0.00786 -0.02198 -0.03982 1 56 8 -0.04001 0.08145 -0.03612 -0.00367 0.05060 2 56 8 0.01818 -0.00979 -0.00202 -0.02710 -0.04406 3 56 8 -0.01421 -0.01019 -0.00343 0.01696 0.00899 1 57 8 -0.07826 0.15067 -0.05007 -0.10000 -0.00890 2 57 8 0.08193 -0.09996 0.02189 0.07341 0.02785 3 57 8 -0.02653 0.01939 -0.00051 -0.06593 -0.05548 1 58 1 -0.03173 0.09609 -0.02795 -0.07560 -0.02039 2 58 1 0.06875 -0.09513 0.02038 0.07256 0.04025 3 58 1 0.00639 -0.01644 0.01384 -0.05048 -0.06613 1 59 8 0.01598 0.03432 -0.00588 -0.01711 0.01230 2 59 8 -0.05428 0.05925 -0.01860 -0.05332 -0.01813 3 59 8 0.07117 -0.08595 0.02672 0.01446 -0.03493 1 60 1 0.02953 0.01840 0.00606 -0.03802 -0.01567 2 60 1 -0.06856 0.08267 -0.02377 0.00837 -0.00118 3 60 1 0.07023 -0.08705 0.02392 0.00333 -0.03009 1 61 8 0.07783 0.00384 0.00107 0.06348 0.03001 2 61 8 -0.00014 0.00337 -0.00137 0.09268 0.00721 3 61 8 -0.02349 -0.00721 -0.00900 -0.05172 0.00010 1 62 1 0.05854 0.01933 0.01009 0.09068 0.01321 2 62 1 0.00087 -0.01067 -0.00978 0.02841 0.01366 3 62 1 -0.05427 -0.00963 -0.01022 -0.13433 -0.01482 1 63 6 0.01320 -0.00545 -0.01118 0.00647 0.01824 2 63 6 0.02797 -0.06433 0.00416 0.03547 -0.00346 3 63 6 0.00406 -0.01859 0.00309 0.00133 0.01105 1 64 8 0.08462 -0.09256 0.01603 0.03986 0.01273 2 64 8 -0.03356 -0.04267 -0.01914 0.17600 0.27131 3 64 8 0.00347 0.01237 0.00232 -0.08870 -0.13222 1 65 8 0.01195 -0.00418 -0.01271 0.00442 0.00075 2 65 8 0.08611 -0.14022 0.02183 0.03545 -0.12302 3 65 8 0.04868 -0.06844 0.02511 0.01709 0.05148 1 66 6 0.09959 -0.10614 0.02334 0.02765 -0.02060 2 66 6 -0.09552 0.11825 -0.02826 -0.10987 -0.10228 3 66 6 -0.03739 0.00598 -0.02748 0.07361 0.15424 1 67 1 0.08338 -0.00410 0.03074 -0.21907 -0.38911 2 67 1 -0.12783 0.16704 -0.03603 -0.16809 -0.15325 3 67 1 -0.08708 0.02794 -0.04731 0.13401 0.31236 1 68 1 0.07766 -0.12735 0.00440 0.16883 0.22170 2 68 1 -0.07271 0.15318 -0.01707 -0.24420 -0.34861 3 68 1 -0.04678 -0.00222 -0.03734 0.14007 0.26533 1 69 1 0.14600 -0.18975 0.03991 0.11982 0.07647 2 69 1 -0.12794 0.14689 -0.03764 -0.11754 -0.07221 3 69 1 -0.00174 -0.01947 -0.01760 0.07036 0.10142 1 70 19 -0.01462 -0.11783 0.00941 0.00808 -0.13316 2 70 19 -0.03805 -0.09128 0.04535 -0.07167 0.06948 3 70 19 -0.03271 0.01160 0.00831 -0.04082 0.08304 26 27 28 29 30 A A A A A Frequencies --- 167.6928 173.4619 177.3095 187.8925 190.5075 Reduced masses --- 7.1205 6.2717 6.7140 3.8674 1.2800 Force constants --- 0.1180 0.1112 0.1244 0.0804 0.0274 IR Intensities --- 13.0306 6.5638 15.9443 5.9670 1.3377 Coord Atom Element: 1 1 6 0.01847 -0.00100 0.08078 -0.00346 0.00052 2 1 6 -0.08556 -0.07783 -0.07923 -0.08019 -0.01882 3 1 6 0.08789 0.03692 0.08177 0.04696 0.01033 1 2 6 0.00309 0.00700 0.03753 -0.01829 -0.00327 2 2 6 -0.03909 -0.04152 -0.06453 -0.02549 -0.00663 3 2 6 0.01750 -0.02336 -0.01867 0.02233 0.00378 1 3 6 -0.00289 -0.02801 0.02541 -0.01782 -0.00335 2 3 6 -0.01991 0.01006 -0.03587 -0.01697 -0.00433 3 3 6 0.02187 -0.00517 -0.00220 0.01186 0.00157 1 4 6 0.01879 -0.02039 0.03542 0.01441 0.00416 2 4 6 -0.00364 0.01877 -0.01898 -0.00027 -0.00024 3 4 6 0.07664 0.04534 0.09090 0.02331 0.00480 1 5 6 0.00157 -0.04173 0.00697 0.05136 0.01344 2 5 6 -0.07193 -0.05772 -0.10562 -0.02383 -0.00568 3 5 6 0.10868 0.07640 0.13361 0.02837 0.00596 1 6 1 -0.00413 -0.01014 0.02535 -0.02418 -0.00489 2 6 1 -0.05053 0.00955 -0.10415 -0.01046 -0.00306 3 6 1 -0.00836 0.01697 -0.06551 0.00941 0.00070 1 7 1 0.05871 0.00081 0.07827 0.02524 0.00607 2 7 1 0.02307 0.05397 0.02998 -0.01506 -0.00377 3 7 1 0.12720 0.08505 0.15839 0.02271 0.00410 1 8 1 0.00338 -0.04717 -0.03736 0.11270 0.02721 2 8 1 -0.07208 -0.06254 -0.13408 0.01306 0.00261 3 8 1 0.13867 0.12473 0.18247 0.02387 0.00505 1 9 1 0.02326 -0.01649 0.03330 0.01493 0.00381 2 9 1 -0.04170 -0.05727 -0.06728 -0.02904 -0.00754 3 9 1 -0.02553 -0.04708 -0.02580 -0.04389 -0.01096 1 10 8 0.02350 0.03011 0.13839 -0.06290 -0.01265 2 10 8 -0.08541 -0.05694 -0.04460 -0.11989 -0.02766 3 10 8 0.05368 0.00292 0.01923 0.06121 0.01314 1 11 8 -0.02855 0.02728 -0.01906 -0.02705 -0.00545 2 11 8 0.00283 -0.04850 -0.09282 0.06216 0.01231 3 11 8 0.01665 0.00838 -0.10261 0.08899 0.01806 1 12 8 0.00771 -0.13566 0.06906 -0.01918 -0.00322 2 12 8 0.04171 0.05043 0.08942 -0.02439 -0.00566 3 12 8 -0.01329 -0.05473 -0.06898 0.01569 0.00230 1 13 1 0.02999 -0.14550 0.09633 -0.00762 -0.00077 2 13 1 0.10976 0.18664 0.16870 -0.01456 -0.00439 3 13 1 -0.02917 -0.02086 -0.08908 0.00372 -0.00035 1 14 8 0.04139 -0.00245 0.06644 -0.00324 -0.00072 2 14 8 0.07091 0.05536 0.05958 0.08369 0.02001 3 14 8 0.02697 0.00205 0.02862 0.05294 0.01334 1 15 1 0.00568 -0.02686 0.03303 -0.00960 -0.00139 2 15 1 0.05028 0.03414 -0.00904 0.11007 0.02575 3 15 1 -0.02033 -0.03399 -0.04465 0.06198 0.01600 1 16 6 -0.00196 -0.00058 0.04984 0.00751 0.00265 2 16 6 -0.01046 -0.00791 0.02782 -0.01716 -0.00347 3 16 6 0.02387 -0.03374 -0.00160 -0.02103 -0.00576 1 17 8 -0.05059 0.00164 0.03188 0.00672 0.00417 2 17 8 -0.01756 -0.05819 -0.04637 -0.01921 -0.00502 3 17 8 -0.02601 0.00830 0.03132 -0.02514 -0.00419 1 18 8 -0.02286 -0.01436 0.01848 -0.00052 0.00063 2 18 8 0.09798 0.11864 0.22397 0.06546 0.01778 3 18 8 -0.02393 -0.14735 -0.11571 -0.10489 -0.02733 1 19 6 -0.05738 -0.02821 -0.00095 -0.00059 0.00172 2 19 6 -0.00491 0.02429 0.04887 -0.00115 0.00188 3 19 6 -0.10942 -0.09747 -0.11355 -0.05950 -0.01153 1 20 1 -0.01026 0.06571 0.12175 0.02424 0.00868 2 20 1 0.04040 0.05797 0.08545 0.03925 0.01054 3 20 1 -0.11497 -0.14845 -0.18547 -0.05040 -0.01088 1 21 1 -0.06933 -0.08446 -0.06285 -0.01773 -0.00409 2 21 1 0.00485 0.02710 0.05146 0.00705 0.00344 3 21 1 -0.16391 -0.09467 -0.10690 -0.10293 -0.01890 1 22 1 -0.10639 -0.09275 -0.09418 -0.01344 -0.00096 2 22 1 -0.04329 0.05826 0.09319 -0.03148 -0.00194 3 22 1 -0.11750 -0.12950 -0.15857 -0.05684 -0.01161 1 23 6 -0.04213 0.02607 -0.00570 0.00312 0.00276 2 23 6 0.08792 0.02162 0.00707 -0.02311 -0.00970 3 23 6 0.01234 0.05331 0.02318 -0.04400 -0.01131 1 24 6 -0.03248 0.06285 -0.02751 -0.00401 -0.00149 2 24 6 0.00567 0.05043 -0.03610 -0.00138 0.00231 3 24 6 0.01549 -0.00925 0.04416 -0.02655 -0.00800 1 25 6 -0.02437 0.08242 -0.07493 -0.00789 -0.00234 2 25 6 0.00516 0.05443 -0.03445 0.00492 0.00373 3 25 6 0.06608 -0.02223 -0.00079 -0.00092 -0.00358 1 26 6 -0.03068 0.08797 -0.06705 -0.00982 -0.00206 2 26 6 -0.05966 0.08081 0.01372 0.00390 0.00218 3 26 6 -0.05209 0.08570 0.01686 -0.02611 -0.00522 1 27 6 -0.02094 0.05925 0.00521 -0.04235 -0.00903 2 27 6 0.03157 0.00990 -0.03049 0.03099 0.00468 3 27 6 -0.04020 0.08346 -0.01771 -0.00916 -0.00233 1 28 1 -0.02217 0.02016 0.00481 -0.01137 0.00180 2 28 1 0.12144 0.02640 0.04388 -0.09009 -0.02628 3 28 1 0.00092 0.04615 0.00647 -0.00702 0.00065 1 29 1 -0.12053 0.16274 -0.04095 -0.03599 -0.00326 2 29 1 0.11301 0.00374 -0.11288 0.03913 0.00546 3 29 1 0.14764 -0.07689 -0.04279 0.02347 -0.00263 1 30 1 -0.00230 0.08238 -0.09350 -0.00633 -0.00026 2 30 1 -0.10277 0.10520 0.03081 -0.00181 0.00142 3 30 1 -0.15409 0.15404 0.04156 -0.04027 -0.00587 1 31 1 -0.01727 0.12233 0.08136 -0.11155 -0.02462 2 31 1 0.07170 -0.02027 -0.03975 0.03777 0.00489 3 31 1 -0.10229 0.12451 -0.00820 -0.01419 -0.00136 1 32 1 0.01226 0.09091 -0.02798 -0.03251 -0.00404 2 32 1 0.01161 0.03303 -0.05249 0.01501 0.00882 3 32 1 0.00656 -0.00595 0.05886 -0.03474 -0.01096 1 33 8 -0.05122 0.03484 -0.01622 0.01757 0.00200 2 33 8 0.04026 0.04665 -0.01070 -0.01904 -0.00437 3 33 8 0.05440 0.02273 0.05043 -0.06138 -0.01494 1 34 8 -0.05430 0.02596 -0.01407 0.01648 0.00015 2 34 8 -0.02059 0.06136 -0.05027 0.00689 -0.00110 3 34 8 -0.03281 -0.06332 0.06004 0.01128 -0.00369 1 35 8 0.13926 -0.01156 -0.19060 0.01812 -0.00197 2 35 8 -0.07351 0.10501 0.00536 -0.03832 0.00150 3 35 8 0.19818 -0.10124 -0.07690 0.04675 -0.00174 1 36 1 0.14283 -0.01397 -0.19693 0.02086 -0.00202 2 36 1 0.08910 0.01593 -0.04943 -0.05396 0.00330 3 36 1 0.21163 -0.10974 -0.14228 0.07918 -0.00291 1 37 8 -0.09140 0.14075 -0.08479 -0.01836 -0.00470 2 37 8 -0.15715 0.13224 0.05046 -0.01090 0.00064 3 37 8 0.01879 0.05844 -0.02893 -0.01398 -0.00442 1 38 1 -0.10397 0.14785 -0.07649 -0.01557 -0.00321 2 38 1 -0.15030 0.11241 -0.01368 -0.03324 -0.00895 3 38 1 -0.04321 0.09418 0.00367 -0.00917 -0.00001 1 39 6 -0.03767 0.00581 -0.02908 0.07867 0.02182 2 39 6 0.10389 -0.00998 -0.00465 0.01265 -0.00307 3 39 6 -0.00512 0.05123 0.03530 -0.07789 -0.02012 1 40 8 -0.07196 -0.03396 -0.07034 0.19631 0.05422 2 40 8 0.12314 -0.01116 -0.00883 0.03673 0.00172 3 40 8 -0.05449 0.03652 0.02431 -0.08035 -0.01756 1 41 8 -0.00380 0.04046 -0.00722 0.00980 0.00251 2 41 8 0.08073 -0.02975 -0.02113 0.02224 0.00013 3 41 8 -0.01204 0.04436 0.03148 -0.05545 -0.01390 1 42 6 -0.09382 0.03068 0.01834 -0.06119 -0.00941 2 42 6 0.06593 -0.00876 0.00484 -0.02982 -0.01026 3 42 6 -0.11986 -0.02286 -0.04972 0.09823 0.03346 1 43 1 -0.11409 0.05489 0.06229 -0.19382 -0.04309 2 43 1 -0.01579 -0.09258 -0.08722 0.18882 0.04982 3 43 1 -0.14569 -0.02601 -0.04383 0.06941 0.02698 1 44 1 -0.09643 0.00948 -0.00479 0.00201 0.00573 2 44 1 0.04486 0.03965 0.06693 -0.21300 -0.05367 3 44 1 -0.06245 -0.01470 -0.05893 0.14972 0.04458 1 45 1 -0.08085 0.07628 0.06822 -0.19192 -0.04083 2 45 1 0.11048 0.02598 0.04071 -0.10860 -0.03308 3 45 1 -0.18941 -0.07273 -0.10111 0.20827 0.06607 1 46 6 0.01151 -0.00711 0.00335 -0.01378 0.00048 2 46 6 -0.06451 0.02235 -0.01415 0.04325 -0.00137 3 46 6 0.03660 -0.01737 0.01053 -0.02992 -0.00269 1 47 6 0.02619 -0.04222 0.03099 -0.00377 -0.00515 2 47 6 -0.00687 -0.01411 0.01189 0.01150 -0.00042 3 47 6 -0.01323 -0.01260 0.01023 0.00508 -0.00103 1 48 6 0.01981 -0.01208 0.01001 -0.00692 -0.00260 2 48 6 -0.02138 -0.00115 0.00021 0.01778 -0.00052 3 48 6 -0.00227 -0.02878 0.02289 0.00276 -0.00213 1 49 6 0.01498 -0.00638 0.00288 -0.00406 -0.00148 2 49 6 -0.01123 -0.01501 0.00697 0.00984 -0.00058 3 49 6 0.01856 -0.05890 0.04655 -0.00989 -0.00396 1 50 6 0.00258 0.02117 -0.01636 -0.00840 -0.00046 2 50 6 -0.03445 0.06036 -0.04864 0.01399 -0.00060 3 50 6 0.01652 -0.05360 0.04276 -0.01604 -0.00270 1 51 1 0.00945 0.02405 -0.01921 -0.02922 0.00006 2 51 1 -0.06148 0.03377 -0.02457 0.05244 -0.00488 3 51 1 0.03972 0.04230 -0.03603 -0.03389 -0.00861 1 52 1 0.03283 -0.02031 0.01914 -0.01640 -0.00219 2 52 1 -0.02627 -0.00069 -0.00117 0.02285 -0.00108 3 52 1 0.00166 -0.04105 0.03234 0.00641 -0.00358 1 53 1 0.01644 0.00181 -0.00604 -0.00750 -0.00108 2 53 1 0.00946 -0.06301 0.04299 0.00503 -0.00091 3 53 1 0.06685 -0.15706 0.11719 -0.02498 -0.00407 1 54 1 0.03128 0.02944 -0.02720 -0.02212 -0.00094 2 54 1 0.00487 0.06442 -0.05743 -0.00982 0.00024 3 54 1 0.02399 -0.06250 0.04915 -0.02633 -0.00079 1 55 1 0.08410 -0.04185 0.02924 -0.05680 0.00164 2 55 1 0.02613 -0.01846 0.01563 -0.01547 0.00311 3 55 1 -0.03311 -0.01740 0.01586 0.02679 -0.00401 1 56 8 0.02726 -0.05215 0.03684 -0.00664 -0.00078 2 56 8 -0.06146 -0.03168 0.02540 0.05942 -0.00006 3 56 8 0.02047 -0.02229 0.01468 -0.02201 0.00160 1 57 8 -0.05221 -0.05523 0.04273 0.06812 -0.01138 2 57 8 0.03645 0.00445 -0.00362 -0.03289 0.00491 3 57 8 -0.04075 0.01967 -0.01465 0.02178 -0.00493 1 58 1 -0.04788 -0.01414 0.00945 0.05197 -0.00485 2 58 1 0.05624 0.02382 -0.01906 -0.05546 0.00653 3 58 1 -0.04365 0.04063 -0.03163 0.01781 -0.00129 1 59 8 0.00596 0.02249 -0.01631 -0.00610 0.00048 2 59 8 -0.00558 -0.00373 0.00615 0.00098 0.00105 3 59 8 -0.02377 0.01717 -0.01338 0.00785 0.00141 1 60 1 -0.01381 0.07591 -0.05683 -0.00552 0.00390 2 60 1 0.03273 -0.10854 0.08499 -0.00664 0.00063 3 60 1 -0.02837 0.02963 -0.02258 0.00991 0.00031 1 61 8 0.05003 -0.09938 0.07284 0.00059 -0.00168 2 61 8 0.04414 -0.11566 0.07862 -0.01634 -0.00023 3 61 8 -0.03032 0.04308 -0.02840 0.00415 -0.00428 1 62 1 0.06129 -0.15159 0.10797 0.01102 -0.00197 2 62 1 0.00347 -0.01110 0.00527 -0.01631 -0.00003 3 62 1 -0.09202 0.16298 -0.11615 0.02236 -0.00445 1 63 6 -0.00020 -0.02814 0.01841 -0.01415 0.00846 2 63 6 -0.04361 -0.03752 0.03542 0.01518 0.00149 3 63 6 0.00728 0.01551 -0.01578 -0.00477 0.00087 1 64 8 -0.04847 -0.03214 0.03225 0.00501 0.01340 2 64 8 0.04782 0.08967 -0.05237 0.03449 -0.04993 3 64 8 -0.02207 -0.05266 0.02840 -0.02367 0.02518 1 65 8 0.00226 -0.05291 0.03705 -0.02527 0.01301 2 65 8 -0.07657 -0.18487 0.14438 -0.03036 0.03886 3 65 8 -0.02612 0.10682 -0.07907 0.04461 -0.01110 1 66 6 -0.06513 -0.05007 0.04707 0.00868 0.01045 2 66 6 0.05923 -0.04161 0.00396 -0.05782 0.02651 3 66 6 0.04409 0.06258 -0.05134 -0.00575 0.01388 1 67 1 -0.11526 -0.20985 0.15691 0.04285 -0.08911 2 67 1 0.11623 -0.03266 -0.03988 -0.23125 0.26671 3 67 1 0.18514 0.18965 -0.20881 -0.35217 0.52883 1 68 1 -0.00915 0.05905 -0.03397 -0.02002 0.07439 2 68 1 -0.07433 -0.20477 0.18062 0.29125 -0.51283 3 68 1 0.05642 0.10405 -0.07292 0.03440 -0.03499 1 69 1 -0.08345 -0.01085 0.02996 0.00109 0.04766 2 69 1 0.14325 0.01184 -0.08149 -0.29705 0.37361 3 69 1 -0.06170 -0.01182 0.06098 0.30166 -0.43538 1 70 19 0.17628 0.02857 -0.10329 -0.03980 -0.02630 2 70 19 -0.01397 -0.06943 -0.04990 0.02058 0.00235 3 70 19 -0.08825 -0.01307 0.03165 0.03441 0.01223 31 32 33 34 35 A A A A A Frequencies --- 197.0572 210.2616 220.2781 224.0785 245.4790 Reduced masses --- 5.6122 5.2278 5.5098 4.8419 5.7283 Force constants --- 0.1284 0.1362 0.1575 0.1432 0.2034 IR Intensities --- 4.2550 6.2448 5.2800 4.4119 3.6345 Coord Atom Element: 1 1 6 0.01475 0.01186 -0.01536 0.02977 0.01749 2 1 6 0.02709 0.01428 -0.02331 0.02751 -0.07426 3 1 6 -0.00356 0.00798 0.00668 0.00008 0.00723 1 2 6 0.00325 -0.01267 0.01416 0.04245 0.07411 2 2 6 0.00297 -0.01835 0.02232 0.08241 0.03566 3 2 6 -0.00310 0.00543 -0.00191 -0.01158 -0.10076 1 3 6 0.00896 0.00185 0.00494 0.01214 0.04910 2 3 6 -0.00646 -0.02328 0.01766 0.04372 -0.00095 3 3 6 -0.00038 -0.00443 0.00845 0.04973 -0.05680 1 4 6 0.00095 0.01011 0.00149 -0.03454 0.05252 2 4 6 -0.00950 -0.01505 0.01235 0.00144 0.00830 3 4 6 0.00499 0.00346 -0.00041 0.05701 -0.05228 1 5 6 -0.01453 0.01483 0.00161 -0.10488 0.08036 2 5 6 -0.00460 -0.00249 0.00102 -0.02785 -0.03656 3 5 6 0.00697 0.00108 0.00240 0.07575 -0.02350 1 6 1 0.00614 -0.01382 0.01849 0.06827 0.07351 2 6 1 -0.02486 -0.04407 0.03881 0.03456 0.04582 3 6 1 -0.02088 -0.04326 0.04441 0.11133 0.01274 1 7 1 0.00759 0.01695 -0.00546 -0.00269 0.00795 2 7 1 -0.00213 -0.02295 0.01680 0.06275 0.01290 3 7 1 0.01546 0.00449 -0.00351 0.12178 -0.08589 1 8 1 -0.04356 0.00533 0.01953 -0.13495 0.04260 2 8 1 -0.02215 -0.00790 0.01165 -0.04732 -0.05985 3 8 1 0.00869 -0.01091 0.00727 0.11260 0.00996 1 9 1 -0.00132 -0.01534 0.02979 0.08756 0.11037 2 9 1 0.00758 -0.01364 0.02015 0.09103 0.03628 3 9 1 0.02128 0.02788 -0.03503 -0.04586 -0.15620 1 10 8 0.03841 0.00923 -0.02400 0.05010 0.08816 2 10 8 0.04215 0.00949 -0.02853 0.05009 -0.03342 3 10 8 -0.01485 0.00226 0.01087 -0.01049 -0.05546 1 11 8 -0.01266 -0.03177 0.02400 0.01881 0.04401 2 11 8 -0.02954 -0.04643 0.06879 0.14149 0.08353 3 11 8 -0.05431 -0.04971 0.05497 0.03222 -0.07835 1 12 8 0.04814 0.07751 -0.05003 -0.12460 0.00733 2 12 8 0.01615 -0.00036 -0.01569 0.07611 -0.11922 3 12 8 -0.00510 -0.00151 0.01668 0.00380 -0.00154 1 13 1 0.05533 0.08957 -0.05706 -0.09138 -0.03490 2 13 1 0.00101 -0.05479 0.01383 0.34041 -0.24100 3 13 1 -0.01637 -0.02470 0.02993 0.00468 0.03104 1 14 8 0.01407 0.00818 -0.00247 0.05619 -0.01463 2 14 8 -0.02452 0.00936 0.00350 -0.13768 0.08688 3 14 8 -0.01844 0.00771 0.00777 -0.10951 0.08002 1 15 1 0.00796 0.00511 0.00272 0.02208 0.03165 2 15 1 -0.04172 0.01197 0.00818 -0.28227 0.14297 3 15 1 -0.03460 0.00592 0.01576 -0.22686 0.15799 1 16 6 0.00609 0.00047 -0.00472 0.08455 -0.05405 2 16 6 0.01085 0.01001 -0.01393 0.00830 -0.04293 3 16 6 0.01906 0.02514 -0.01314 -0.01741 0.00807 1 17 8 -0.00592 -0.00938 0.00081 0.05523 -0.04206 2 17 8 0.00945 0.01471 -0.00746 -0.01428 -0.01289 3 17 8 0.00838 0.01336 -0.01384 -0.04701 0.00643 1 18 8 0.00505 -0.00302 -0.00196 0.08907 -0.06492 2 18 8 -0.00958 0.00482 -0.00800 -0.03090 0.02396 3 18 8 0.05683 0.05182 -0.04050 0.01982 -0.03332 1 19 6 -0.00089 -0.00765 -0.00003 0.08415 -0.07424 2 19 6 -0.00479 0.01304 -0.00771 -0.11947 0.10351 3 19 6 0.00671 0.02508 -0.01687 -0.17916 0.13197 1 20 1 -0.00709 -0.01409 0.00153 0.09421 -0.07436 2 20 1 -0.01408 0.00622 -0.00061 -0.09106 0.08080 3 20 1 0.00493 0.02509 -0.01293 -0.16561 0.11449 1 21 1 0.01110 -0.00719 -0.00080 0.17457 -0.17580 2 21 1 -0.00600 0.01143 -0.00600 -0.10463 0.08915 3 21 1 0.01001 0.03359 -0.02643 -0.29026 0.24456 1 22 1 -0.00536 -0.00211 -0.00029 -0.00234 0.00790 2 22 1 -0.00646 0.01926 -0.01582 -0.24542 0.23698 3 22 1 0.00563 0.02574 -0.01506 -0.17992 0.12934 1 23 6 -0.01072 0.00057 0.01789 -0.00807 0.04217 2 23 6 0.01086 -0.04147 0.01167 -0.02143 0.01169 3 23 6 0.02821 0.01309 -0.03517 -0.03535 -0.04226 1 24 6 -0.01434 -0.09042 0.01069 -0.03419 0.01778 2 24 6 -0.02932 0.10778 -0.01828 0.02761 0.02139 3 24 6 0.01544 0.07345 0.07854 -0.02473 -0.02940 1 25 6 -0.03728 -0.05747 0.01167 -0.02953 -0.02570 2 25 6 -0.03692 0.10963 -0.00508 0.03526 0.03846 3 25 6 0.01116 0.02988 0.02159 0.01856 0.02144 1 26 6 -0.04145 -0.06111 0.01431 -0.01825 -0.01552 2 26 6 -0.01578 0.00729 0.00088 0.00015 0.00746 3 26 6 0.00340 0.01915 -0.02075 0.04818 0.05000 1 27 6 -0.00857 -0.02446 0.01313 -0.01961 0.04114 2 27 6 -0.01546 -0.03098 0.03739 0.06197 0.06427 3 27 6 -0.01240 -0.00366 -0.00098 0.03796 0.01307 1 28 1 0.01314 0.06010 -0.07292 -0.01819 0.01966 2 28 1 0.04088 -0.05295 -0.01130 -0.06221 -0.00231 3 28 1 0.02688 0.08327 -0.10244 -0.01239 -0.05178 1 29 1 -0.04544 -0.02321 -0.02138 -0.00015 0.01532 2 29 1 -0.04000 0.03721 -0.03240 0.06011 0.05036 3 29 1 0.01360 -0.00907 0.02933 0.01293 0.00555 1 30 1 -0.04515 0.00081 -0.01910 0.01830 0.04225 2 30 1 -0.01876 -0.01950 0.01171 -0.04464 -0.06085 3 30 1 -0.00913 0.00144 -0.02166 -0.05190 -0.09985 1 31 1 0.02216 0.00397 -0.03267 -0.08623 0.04493 2 31 1 -0.01174 -0.03877 0.04835 0.04511 0.04265 3 31 1 -0.02009 0.00654 -0.01419 0.06721 0.04556 1 32 1 0.00558 -0.09464 -0.13294 -0.04631 -0.01205 2 32 1 -0.05941 0.12548 0.01089 0.05318 0.03473 3 32 1 0.03215 0.05756 0.06921 -0.03947 -0.03403 1 33 8 -0.04124 -0.08236 0.14569 -0.00965 0.06216 2 33 8 -0.00926 0.03489 -0.02099 0.01363 0.03229 3 33 8 0.06742 0.03077 -0.10884 -0.06387 -0.07749 1 34 8 -0.02434 -0.06977 0.12418 -0.02210 0.04610 2 34 8 0.01814 0.06430 -0.07112 0.00582 0.01359 3 34 8 -0.02594 0.07915 0.30412 -0.00122 0.02034 1 35 8 -0.08709 0.00053 0.12003 -0.06910 -0.16228 2 35 8 -0.07440 0.26806 0.07964 0.00916 -0.02962 3 35 8 0.02767 -0.09170 -0.01485 0.03112 0.03605 1 36 1 -0.08574 -0.01039 0.11793 -0.07348 -0.16490 2 36 1 -0.19729 0.59770 0.33517 0.01422 -0.22797 3 36 1 0.06538 -0.26913 -0.08572 -0.01806 0.04187 1 37 8 -0.05505 -0.16439 0.03263 -0.00720 -0.07396 2 37 8 -0.02253 -0.02185 0.01690 -0.12974 -0.17919 3 37 8 0.00012 0.00904 -0.02560 0.17379 0.20147 1 38 1 -0.05904 -0.17267 0.03389 -0.01878 -0.10063 2 38 1 -0.01056 -0.05550 0.02754 -0.08506 -0.15332 3 38 1 -0.01545 -0.03663 -0.01822 0.12233 0.08000 1 39 6 -0.01138 0.04716 -0.04418 -0.01995 -0.02206 2 39 6 0.01020 -0.06684 0.02569 -0.04062 -0.02718 3 39 6 0.02841 -0.02689 0.01853 -0.05238 -0.02961 1 40 8 -0.03016 0.12407 -0.12625 -0.00366 -0.05869 2 40 8 0.01570 -0.06552 0.00512 -0.06158 -0.05769 3 40 8 0.01230 -0.00314 0.02523 -0.00736 0.01165 1 41 8 0.00515 0.02093 -0.03169 -0.03641 -0.04173 2 41 8 -0.00035 -0.06272 0.02792 -0.01950 -0.03048 3 41 8 0.02555 -0.01726 0.01192 -0.05216 -0.02171 1 42 6 -0.00472 0.04513 -0.00257 0.03117 0.03373 2 42 6 0.00334 -0.03585 0.02037 0.01785 0.02048 3 42 6 -0.03180 0.13228 -0.09204 0.06557 0.02131 1 43 1 0.01350 -0.01624 0.07764 0.02963 0.07722 2 43 1 -0.03897 0.08898 -0.09756 0.06509 0.01181 3 43 1 -0.03009 0.12285 -0.07160 0.07330 0.04232 1 44 1 -0.00753 0.05313 -0.02413 0.00993 0.00639 2 44 1 0.01178 -0.06384 0.09347 0.07832 0.10891 3 44 1 -0.03358 0.14571 -0.12875 0.04723 -0.02032 1 45 1 0.00085 0.02763 0.04151 0.07539 0.08832 2 45 1 0.02349 -0.09358 0.06619 -0.01780 0.00814 3 45 1 -0.06302 0.22190 -0.15990 0.12683 0.04682 1 46 6 -0.06026 0.01014 -0.04657 -0.00113 0.01879 2 46 6 0.14035 -0.00924 0.03188 -0.00574 0.02870 3 46 6 -0.13102 -0.02282 -0.04650 0.00313 -0.01742 1 47 6 -0.00672 0.00836 -0.04695 0.00686 -0.02932 2 47 6 0.05813 -0.01029 0.00140 -0.00157 -0.00845 3 47 6 0.01545 -0.00469 0.01682 -0.00029 -0.01363 1 48 6 -0.02197 0.02817 -0.01714 0.00387 0.00448 2 48 6 0.06903 -0.02870 -0.02659 -0.00292 -0.00983 3 48 6 0.01738 0.00165 0.01458 0.00224 -0.03140 1 49 6 -0.01760 0.01747 -0.02150 0.00092 0.01013 2 49 6 0.02440 -0.03269 -0.02737 -0.00490 0.00721 3 49 6 -0.03774 0.01400 0.03434 0.00762 -0.04749 1 50 6 -0.06251 -0.00590 -0.02114 -0.00415 0.03492 2 50 6 0.03078 -0.00407 -0.08803 -0.00321 0.02228 3 50 6 -0.07991 -0.00791 0.04765 0.00136 -0.01292 1 51 1 -0.14491 0.02357 -0.07567 -0.00444 0.03167 2 51 1 0.17241 -0.00777 0.03943 -0.00414 0.02789 3 51 1 -0.18134 -0.00008 -0.06426 0.00146 -0.00173 1 52 1 -0.04613 0.05954 0.02007 0.01000 -0.00335 2 52 1 0.08542 -0.04520 -0.04712 -0.00557 -0.01428 3 52 1 0.04022 -0.00715 -0.00344 0.00235 -0.06188 1 53 1 -0.03608 0.02513 -0.03209 0.00049 0.02189 2 53 1 0.02276 -0.01662 0.01566 -0.00225 -0.00299 3 53 1 -0.06389 0.05747 0.11945 0.01291 -0.05749 1 54 1 -0.08203 0.02870 -0.11401 0.00611 0.02346 2 54 1 -0.02064 0.01169 -0.22036 0.00526 0.00319 3 54 1 -0.11961 -0.04225 0.01997 -0.00321 -0.01878 1 55 1 -0.18991 0.02702 -0.07398 0.00638 -0.02419 2 55 1 -0.02699 0.01755 0.01161 0.00054 -0.01352 3 55 1 0.09785 0.00719 0.05345 0.00231 -0.02320 1 56 8 -0.01210 -0.00975 -0.04116 0.00483 -0.00639 2 56 8 0.23931 -0.03259 0.06075 -0.00220 0.01063 3 56 8 -0.08672 -0.02133 -0.01565 0.00012 -0.00990 1 57 8 0.24980 -0.02988 -0.01636 0.00765 -0.03327 2 57 8 -0.09967 0.00851 -0.03217 -0.00393 -0.00556 3 57 8 0.05911 -0.02322 -0.02367 -0.00477 -0.02121 1 58 1 0.19652 -0.02254 -0.02462 -0.00453 0.03504 2 58 1 -0.18420 0.01097 -0.07961 -0.00354 -0.03909 3 58 1 0.04841 -0.01976 -0.01692 -0.01263 0.03082 1 59 8 -0.02581 0.03179 -0.00119 -0.00514 0.10585 2 59 8 0.01752 0.01961 0.03019 0.00635 -0.00423 3 59 8 0.02658 -0.00499 0.02444 -0.01201 0.09482 1 60 1 -0.03230 0.03703 0.01398 -0.01778 0.24959 2 60 1 -0.00024 0.05019 0.13788 0.01839 -0.09980 3 60 1 0.03384 -0.01624 -0.01313 -0.01116 0.07274 1 61 8 0.07264 0.09079 0.05066 0.01605 -0.10953 2 61 8 -0.06246 0.01224 0.08143 -0.00335 0.05201 3 61 8 -0.02394 -0.04715 -0.06770 -0.00002 -0.02267 1 62 1 0.10238 0.10208 0.19103 0.01956 -0.11628 2 62 1 -0.08259 -0.04054 -0.09846 -0.01099 0.07900 3 62 1 -0.01265 -0.13709 -0.19211 -0.00974 0.02029 1 63 6 -0.03199 -0.00547 -0.05549 -0.00077 0.01094 2 63 6 0.02704 -0.04720 -0.01384 -0.00235 0.00084 3 63 6 -0.01695 -0.02252 -0.03786 0.00341 -0.00956 1 64 8 0.02678 -0.02273 -0.00659 -0.00110 0.00256 2 64 8 -0.01082 0.00065 -0.03328 0.00244 -0.00708 3 64 8 -0.03120 -0.04572 -0.05928 0.00056 -0.00139 1 65 8 -0.06470 -0.01503 -0.06637 -0.00116 0.00637 2 65 8 -0.08859 -0.12244 -0.04437 0.00066 -0.02902 3 65 8 0.14257 -0.00120 0.01513 0.00309 0.00353 1 66 6 0.02020 -0.02634 0.01405 -0.00139 -0.00037 2 66 6 -0.11157 -0.03219 -0.13682 0.00296 0.00382 3 66 6 0.04641 -0.02445 -0.11272 0.00205 0.00850 1 67 1 -0.15528 -0.05766 -0.07412 -0.00044 0.00287 2 67 1 -0.04172 -0.04118 -0.11175 0.00167 0.00251 3 67 1 0.29503 -0.01990 -0.00877 -0.00103 0.00410 1 68 1 0.12851 -0.00806 0.01446 -0.00153 0.00511 2 68 1 -0.40571 -0.04501 -0.30600 0.00696 0.01427 3 68 1 0.06786 -0.01495 -0.13879 0.00257 0.01374 1 69 1 0.07044 -0.01620 0.11558 -0.00313 -0.01200 2 69 1 0.02747 -0.03551 -0.06709 0.00084 -0.00056 3 69 1 -0.13795 -0.02214 -0.21618 0.00495 0.01576 1 70 19 0.05702 0.05781 0.00118 -0.01629 0.01282 2 70 19 -0.00320 -0.00428 0.01352 0.01893 0.02788 3 70 19 -0.03401 -0.02981 0.02294 0.00832 -0.00377 36 37 38 39 40 A A A A A Frequencies --- 249.9170 252.3886 254.6916 258.1427 278.1699 Reduced masses --- 5.2407 4.7334 6.0216 5.5724 4.8669 Force constants --- 0.1929 0.1776 0.2301 0.2188 0.2219 IR Intensities --- 6.7017 5.4904 1.5250 17.2163 3.2037 Coord Atom Element: 1 1 6 0.00761 0.00199 0.04643 -0.01667 -0.00672 2 1 6 0.05712 -0.01719 0.04622 0.02467 0.01678 3 1 6 -0.00621 -0.00110 -0.03095 -0.01735 0.00418 1 2 6 -0.05302 0.01780 -0.01551 -0.06434 -0.02052 2 2 6 -0.05057 0.01172 -0.11580 0.00319 -0.01206 3 2 6 0.05237 -0.02178 0.00957 0.02007 0.01664 1 3 6 -0.03223 0.01081 0.00950 -0.07473 -0.01720 2 3 6 -0.02569 0.00488 -0.04740 -0.01422 -0.01152 3 3 6 0.02093 -0.01231 -0.03475 0.00333 0.01015 1 4 6 -0.02009 0.00799 0.06726 -0.12180 -0.01997 2 4 6 -0.02297 0.00536 -0.03440 -0.00093 -0.00807 3 4 6 0.03072 -0.01339 -0.00831 -0.00459 0.01327 1 5 6 -0.02669 0.01173 0.09842 -0.14250 -0.02431 2 5 6 0.02258 -0.00896 0.05823 -0.06749 -0.00053 3 5 6 0.00587 -0.00503 -0.06779 0.04637 0.01164 1 6 1 -0.05560 0.01720 -0.02523 -0.08762 -0.02098 2 6 1 -0.06618 0.01704 -0.05896 -0.06189 -0.02732 3 6 1 -0.04330 0.00611 -0.08613 -0.05747 -0.00904 1 7 1 0.00977 -0.00299 0.04459 -0.06626 -0.00257 2 7 1 -0.03700 0.00902 -0.08765 0.02777 -0.00835 3 7 1 0.04641 -0.02011 -0.06152 0.06036 0.02754 1 8 1 -0.00427 -0.00074 0.14885 -0.25064 -0.02119 2 8 1 0.03683 -0.01671 0.09026 -0.13382 0.00158 3 8 1 -0.02877 0.00728 -0.12606 0.09973 0.00069 1 9 1 -0.07857 0.02303 -0.05669 -0.12469 -0.02916 2 9 1 -0.04646 0.01041 -0.10943 -0.01224 -0.01154 3 9 1 0.10984 -0.03536 0.10250 0.05161 0.03253 1 10 8 -0.04772 0.02514 -0.02602 0.09204 -0.02552 2 10 8 0.01959 -0.00175 -0.01348 0.11243 0.00328 3 10 8 0.02572 -0.01438 -0.00625 -0.03306 0.01014 1 11 8 -0.04800 0.01462 -0.00551 -0.05190 -0.01434 2 11 8 -0.10046 0.01987 -0.18617 -0.11864 -0.02817 3 11 8 0.00342 -0.01365 -0.03026 -0.10428 0.00028 1 12 8 0.01031 -0.00064 -0.10104 0.20203 0.02444 2 12 8 0.07425 -0.02542 0.09208 -0.05583 0.00482 3 12 8 -0.02806 0.00222 -0.15165 0.09560 0.01118 1 13 1 0.03781 -0.01186 -0.13601 0.22176 0.03549 2 13 1 0.15317 -0.05653 0.28864 -0.41592 -0.01767 3 13 1 -0.04935 0.01105 -0.07914 0.01554 -0.00572 1 14 8 0.01870 -0.00693 0.06513 -0.11531 -0.00753 2 14 8 -0.06318 0.02150 -0.15443 0.20370 0.01118 3 14 8 -0.04547 0.01561 0.00524 -0.04466 -0.01463 1 15 1 -0.00857 0.00341 0.09810 -0.19435 -0.02742 2 15 1 -0.09645 0.03388 -0.14907 0.25739 0.00922 3 15 1 -0.09164 0.03296 0.04105 -0.09139 -0.03535 1 16 6 0.03396 -0.01310 -0.01327 0.01471 0.01328 2 16 6 0.03880 -0.01205 0.03982 -0.00082 0.01224 3 16 6 0.01275 -0.00253 0.03341 -0.02654 0.00526 1 17 8 0.01933 -0.00902 -0.02869 0.02515 0.01081 2 17 8 0.01692 -0.00596 0.01668 -0.01178 0.00935 3 17 8 0.01180 -0.00142 0.04318 -0.01073 0.00409 1 18 8 0.03318 -0.01401 -0.03249 0.03061 0.01460 2 18 8 0.01140 -0.00055 0.08071 -0.06514 -0.00272 3 18 8 0.06210 -0.01390 0.09835 -0.01572 0.01712 1 19 6 0.03606 -0.01632 -0.04254 0.03630 0.01924 2 19 6 -0.03897 0.01907 0.07119 -0.05396 -0.01797 3 19 6 -0.04742 0.02523 0.10928 -0.06991 -0.02573 1 20 1 0.03500 -0.01616 -0.04885 0.04339 0.01974 2 20 1 -0.03141 0.01442 0.05647 -0.05537 -0.01530 3 20 1 -0.04067 0.02153 0.10316 -0.07601 -0.02402 1 21 1 0.08531 -0.03811 -0.08968 0.07769 0.04384 2 21 1 -0.03289 0.01604 0.06320 -0.05072 -0.01514 3 21 1 -0.09743 0.04926 0.16733 -0.09853 -0.04914 1 22 1 -0.00342 0.00140 0.00435 -0.00696 -0.00223 2 22 1 -0.10006 0.04779 0.13666 -0.09047 -0.04704 3 22 1 -0.04679 0.02466 0.11062 -0.07697 -0.02644 1 23 6 -0.03064 0.00474 -0.04971 -0.04680 0.01569 2 23 6 -0.01364 0.00401 -0.02722 -0.02571 -0.01391 3 23 6 0.01699 -0.00656 -0.04005 -0.01215 -0.00797 1 24 6 0.00916 -0.01160 -0.00608 -0.00590 0.04567 2 24 6 -0.00733 0.01258 0.00443 -0.00215 -0.00366 3 24 6 0.01117 -0.00493 -0.02808 -0.01279 0.01019 1 25 6 -0.00376 0.00533 0.03053 0.02397 -0.00250 2 25 6 -0.01327 0.00842 0.01952 0.00063 0.01526 3 25 6 0.00203 -0.00019 0.02530 0.01076 0.01387 1 26 6 -0.01557 0.00963 0.04889 0.02761 -0.01412 2 26 6 -0.01674 0.00979 -0.00107 0.00289 -0.01035 3 26 6 0.00035 0.01677 0.10607 0.08031 -0.00330 1 27 6 -0.02685 0.01203 0.03619 -0.00768 -0.00106 2 27 6 -0.04758 0.01408 -0.05987 -0.03262 -0.01220 3 27 6 0.00279 0.00901 0.07096 0.05828 -0.00286 1 28 1 -0.04654 0.01294 -0.10247 -0.08272 -0.04286 2 28 1 -0.01521 0.00472 -0.03671 -0.04025 -0.03069 3 28 1 0.00242 0.00024 -0.08390 -0.03563 -0.04958 1 29 1 -0.00975 0.01699 0.11421 0.05942 -0.00622 2 29 1 -0.01820 0.01989 0.03018 0.01551 -0.00767 3 29 1 0.00303 -0.00229 -0.01017 -0.00043 0.00824 1 30 1 0.00485 0.01077 0.07420 0.02908 0.02812 2 30 1 -0.01797 0.00499 -0.01622 -0.00047 -0.03548 3 30 1 0.01884 0.00245 0.08603 0.07310 -0.03497 1 31 1 0.00974 0.01387 0.14965 0.09175 0.00398 2 31 1 -0.04482 0.00408 -0.11792 -0.08755 -0.00498 3 31 1 -0.00347 0.02334 0.14762 0.13055 -0.01219 1 32 1 -0.03921 -0.02539 -0.04622 -0.03269 -0.01235 2 32 1 -0.02667 -0.00167 0.05255 0.02324 0.01737 3 32 1 0.02500 0.00228 -0.05366 -0.02704 0.00308 1 33 8 -0.00153 -0.01241 0.02660 0.00781 0.09606 2 33 8 -0.02817 0.01324 -0.02712 -0.02671 -0.02408 3 33 8 0.00535 -0.00295 -0.10239 -0.05441 -0.06737 1 34 8 0.04750 -0.01326 0.01937 0.01435 0.09807 2 34 8 0.05132 0.03581 -0.02576 -0.01164 0.00209 3 34 8 0.05906 -0.00190 0.03879 0.03049 0.09305 1 35 8 -0.03431 -0.01371 -0.04792 0.02387 -0.03905 2 35 8 -0.03794 -0.00891 0.02513 0.01101 0.01721 3 35 8 0.01153 0.00964 -0.00484 0.00412 -0.00238 1 36 1 -0.03054 -0.00994 -0.05630 0.01925 -0.03978 2 36 1 -0.15832 -0.11832 0.05428 0.10619 -0.02004 3 36 1 0.07090 0.07274 -0.10309 -0.06513 -0.00592 1 37 8 -0.05974 0.02672 0.07444 0.13887 -0.11231 2 37 8 0.00116 -0.01216 -0.05839 -0.04231 -0.04587 3 37 8 -0.03427 0.04526 0.17601 0.16964 -0.00966 1 38 1 -0.05891 0.02383 0.07266 0.13582 -0.12264 2 38 1 -0.02545 0.00231 -0.06368 0.03077 -0.07346 3 38 1 -0.03694 0.03530 0.17021 0.17260 -0.06648 1 39 6 0.01288 -0.00495 -0.01251 -0.01169 0.01338 2 39 6 0.02999 -0.00680 0.06031 0.03373 0.01848 3 39 6 0.01591 -0.01336 -0.05088 -0.02283 0.04095 1 40 8 0.04570 -0.00363 0.08278 0.05520 -0.00121 2 40 8 0.05680 -0.01100 0.10769 0.06800 0.02175 3 40 8 -0.01673 -0.00495 -0.08988 -0.05175 0.03396 1 41 8 0.02112 -0.00824 -0.00968 -0.00866 0.00386 2 41 8 0.04534 -0.00642 0.13013 0.07903 0.03910 3 41 8 0.00882 -0.01224 -0.07185 -0.03647 0.03927 1 42 6 -0.03509 0.00515 -0.08423 -0.05070 -0.00225 2 42 6 -0.01509 0.00993 0.02698 0.01070 -0.04545 3 42 6 -0.03260 0.01441 -0.04334 -0.02878 -0.05403 1 43 1 -0.07139 0.00485 -0.17714 -0.10876 0.01895 2 43 1 -0.01352 0.02307 0.09128 0.04599 -0.11164 3 43 1 -0.05110 0.01658 -0.07973 -0.05247 -0.05483 1 44 1 -0.01058 -0.00050 -0.04750 -0.02641 0.01372 2 44 1 -0.09392 0.02602 -0.09956 -0.07255 -0.08436 3 44 1 0.00425 0.00963 0.02855 0.01784 -0.05279 1 45 1 -0.08386 0.01662 -0.15341 -0.09675 -0.03628 2 45 1 -0.00098 0.00012 0.01534 0.00723 -0.00349 3 45 1 -0.06014 0.03119 -0.03274 -0.02830 -0.12392 1 46 6 0.06678 0.03565 -0.02280 -0.00820 0.03973 2 46 6 0.03549 -0.03725 -0.00802 -0.00167 0.04425 3 46 6 -0.02301 0.02413 0.01004 0.00594 -0.07977 1 47 6 -0.00434 0.08380 -0.00388 -0.00354 -0.04592 2 47 6 0.02222 0.07490 -0.01002 -0.00693 0.01319 3 47 6 -0.00722 0.02944 0.00700 0.00339 -0.02902 1 48 6 0.01231 -0.01438 -0.00536 0.00070 -0.02554 2 48 6 0.01677 0.09907 -0.01287 -0.01254 0.05249 3 48 6 -0.01924 0.05717 0.01072 0.00486 -0.07140 1 49 6 0.00719 -0.01523 -0.00347 -0.00073 -0.01317 2 49 6 0.04602 0.08896 -0.01757 -0.01088 0.01682 3 49 6 -0.04567 0.05895 0.02646 0.01337 -0.11517 1 50 6 0.05708 -0.00627 -0.01191 -0.00034 0.00282 2 50 6 0.05639 0.04111 -0.02790 -0.01421 0.01334 3 50 6 0.01476 0.03899 0.01149 0.01156 -0.06623 1 51 1 0.08574 0.04261 -0.03060 -0.01481 0.11840 2 51 1 0.03159 -0.03199 -0.00502 0.00105 0.00265 3 51 1 -0.00330 0.04145 0.00526 0.00251 -0.04855 1 52 1 -0.02436 -0.10698 0.01377 0.01670 -0.11064 2 52 1 0.03194 0.17436 -0.02229 -0.02211 0.10395 3 52 1 -0.02288 0.19525 0.00550 -0.00690 -0.00141 1 53 1 0.02178 -0.04232 -0.00650 0.00151 -0.05444 2 53 1 0.03577 0.08945 -0.01162 -0.00793 0.01522 3 53 1 -0.05444 0.02784 0.03732 0.02276 -0.16498 1 54 1 0.04579 -0.00835 -0.02546 -0.00766 -0.07040 2 54 1 0.05124 0.07955 -0.04959 -0.02726 -0.05445 3 54 1 0.02723 0.09366 0.00403 0.00577 -0.04109 1 55 1 0.02270 0.10404 -0.01035 -0.00444 -0.04943 2 55 1 0.00919 0.04926 -0.00041 0.00039 -0.03859 3 55 1 -0.04566 -0.01839 0.02307 0.01207 -0.08089 1 56 8 0.03079 0.03982 -0.01199 -0.00070 -0.06907 2 56 8 0.01937 -0.03694 -0.00254 0.00455 -0.05141 3 56 8 0.00073 0.02783 0.00536 0.00498 -0.05787 1 57 8 -0.02212 0.06120 -0.00163 -0.00184 -0.08078 2 57 8 0.04972 0.14450 -0.02115 -0.01689 0.10839 3 57 8 0.00956 0.17768 -0.01238 -0.02145 0.19330 1 58 1 0.12383 0.10447 -0.05545 -0.02788 0.15002 2 58 1 0.01616 0.27761 -0.01724 -0.02928 0.23532 3 58 1 0.11123 0.17132 -0.04774 -0.03484 0.30709 1 59 8 0.16357 -0.18519 -0.05154 0.00020 -0.05814 2 59 8 -0.04219 -0.11554 0.02082 0.01738 -0.12305 3 59 8 0.18887 -0.10026 -0.05665 -0.00396 -0.06432 1 60 1 0.39271 -0.41112 -0.12219 -0.00215 -0.11526 2 60 1 -0.24576 -0.08767 0.10264 0.03894 -0.15147 3 60 1 0.16935 -0.02798 -0.05626 -0.00960 -0.03547 1 61 8 -0.22806 0.01150 0.06302 0.00665 0.05274 2 61 8 0.14783 0.01557 -0.03197 0.00091 -0.07686 3 61 8 0.00070 0.09985 0.00462 0.00275 -0.10049 1 62 1 -0.30128 -0.02888 0.09732 0.00795 0.16076 2 62 1 0.24407 0.07161 -0.07515 -0.00704 -0.15675 3 62 1 0.07047 0.14625 -0.02481 -0.01176 -0.07714 1 63 6 0.03102 -0.00498 -0.01963 -0.01104 0.08442 2 63 6 -0.03199 -0.06218 0.00797 0.00238 0.01818 3 63 6 -0.06191 -0.05518 0.01556 0.00498 -0.02581 1 64 8 0.00625 -0.01870 -0.00643 -0.00362 0.05329 2 64 8 -0.03850 -0.03228 0.00787 0.00235 -0.01975 3 64 8 -0.05322 -0.07843 0.00912 0.00128 0.01939 1 65 8 0.02972 0.00297 -0.01983 -0.01083 0.07292 2 65 8 -0.11322 -0.09938 0.03375 0.01291 -0.04048 3 65 8 -0.09727 -0.13394 0.02523 0.00698 0.02737 1 66 6 0.01895 0.01122 -0.00379 -0.00011 0.01048 2 66 6 -0.08146 -0.13615 0.00036 -0.00971 0.13600 3 66 6 -0.08272 -0.16599 -0.00250 -0.01145 0.16117 1 67 1 -0.01556 -0.05243 -0.00442 -0.00482 0.07583 2 67 1 -0.07358 -0.11968 -0.00019 -0.00954 0.13929 3 67 1 -0.04648 -0.09586 -0.00330 -0.00828 0.12797 1 68 1 0.01452 -0.01956 -0.01103 -0.00615 0.07838 2 68 1 -0.14771 -0.27720 -0.00454 -0.02119 0.26991 3 68 1 -0.09517 -0.20667 -0.00794 -0.01709 0.22482 1 69 1 0.06610 0.12879 0.00620 0.01408 -0.16176 2 69 1 -0.05534 -0.08002 0.00163 -0.00596 0.09614 3 69 1 -0.12319 -0.25534 -0.00553 -0.01823 0.23730 1 70 19 -0.01042 0.00871 0.00146 -0.01201 -0.01895 2 70 19 0.00263 0.00065 0.00938 0.00249 0.01261 3 70 19 0.00397 -0.00065 0.00515 0.00874 0.00617 41 42 43 44 45 A A A A A Frequencies --- 298.7631 298.9057 312.3195 319.9045 336.2846 Reduced masses --- 2.9698 5.5348 5.8315 4.7559 5.1630 Force constants --- 0.1562 0.2914 0.3351 0.2868 0.3440 IR Intensities --- 19.5327 1.6776 3.4965 2.8415 15.4777 Coord Atom Element: 1 1 6 0.01953 -0.00977 -0.07353 0.06195 -0.02971 2 1 6 -0.01447 0.01054 -0.04973 0.00032 0.02451 3 1 6 -0.00316 0.00713 0.00194 0.00328 0.00296 1 2 6 0.01238 -0.00874 0.07733 -0.00850 -0.01135 2 2 6 0.01604 -0.00709 0.03338 0.03401 -0.03990 3 2 6 -0.02237 0.00814 0.03678 -0.06466 0.02909 1 3 6 0.01044 -0.00749 0.08241 -0.01867 -0.01125 2 3 6 0.00237 -0.00697 0.14227 -0.05136 -0.02455 3 3 6 -0.01455 0.00709 0.07840 -0.06755 0.01843 1 4 6 0.01538 -0.01155 0.08605 -0.03782 -0.01355 2 4 6 -0.00156 -0.00422 0.12181 -0.05361 -0.01359 3 4 6 -0.01308 0.01142 0.00875 -0.02563 0.02423 1 5 6 0.02695 -0.01785 -0.00138 0.01660 -0.03538 2 5 6 -0.00813 0.00063 0.06797 -0.06044 0.01281 3 5 6 -0.00780 0.01065 -0.00305 0.00979 0.00461 1 6 1 0.01531 -0.00602 0.05198 0.01927 -0.01066 2 6 1 0.01030 -0.01553 0.23084 -0.07584 -0.05007 3 6 1 -0.00158 0.00063 0.12709 -0.04642 -0.00620 1 7 1 0.00355 -0.00044 0.02613 -0.03108 0.01564 2 7 1 -0.00015 -0.00208 0.13082 -0.02600 -0.03381 3 7 1 -0.02198 0.02199 -0.03365 -0.00343 0.03583 1 8 1 0.02225 -0.01306 -0.03097 0.01560 -0.02144 2 8 1 -0.01116 0.00372 0.04787 -0.06053 0.02224 3 8 1 0.00201 0.00049 0.07513 -0.00421 -0.02388 1 9 1 0.03227 -0.01341 0.00864 0.05560 -0.03576 2 9 1 0.01827 -0.00660 0.00907 0.04386 -0.03693 3 9 1 -0.04590 0.01825 0.04427 -0.12475 0.08050 1 10 8 0.03354 -0.02758 0.05807 0.01497 -0.05931 2 10 8 -0.00381 -0.00495 0.05342 -0.03958 0.00110 3 10 8 -0.01099 0.00687 0.00194 -0.02189 0.01352 1 11 8 -0.00843 0.00114 0.11372 -0.03050 0.01152 2 11 8 0.04194 -0.01463 -0.04739 0.12540 -0.07563 3 11 8 -0.01438 0.00478 0.02518 0.00200 0.00840 1 12 8 -0.01595 0.01268 -0.01547 -0.01305 0.01272 2 12 8 -0.00880 -0.00091 0.08913 -0.08886 0.02961 3 12 8 -0.01647 0.00930 0.10915 -0.05865 -0.00666 1 13 1 -0.01306 0.00989 -0.14591 0.07278 -0.11237 2 13 1 0.02685 -0.03119 -0.08557 0.05053 -0.20793 3 13 1 -0.01439 0.00789 0.23939 -0.14053 0.10705 1 14 8 0.00777 -0.00277 0.06304 -0.03546 0.00168 2 14 8 -0.01349 0.00831 -0.05137 0.02366 0.00961 3 14 8 0.00533 -0.00734 0.08644 -0.04320 -0.01243 1 15 1 0.02606 -0.01911 0.11871 -0.03103 -0.07049 2 15 1 -0.03612 0.01784 0.07411 -0.12242 0.20499 3 15 1 0.01007 -0.01782 0.21439 -0.12409 0.03084 1 16 6 -0.00307 0.00814 -0.06988 0.04265 0.00053 2 16 6 -0.00714 0.00892 -0.08526 0.03239 0.01755 3 16 6 -0.00127 0.00744 -0.05963 0.03310 0.00637 1 17 8 -0.00608 0.00593 -0.01961 0.00908 0.00690 2 17 8 -0.00928 0.00982 -0.03209 0.00584 0.01985 3 17 8 -0.00388 0.00467 -0.05072 0.01614 0.01528 1 18 8 -0.00781 0.00897 -0.03019 0.01423 0.00603 2 18 8 0.01600 -0.00176 -0.16702 0.10775 -0.01122 3 18 8 -0.00032 0.01205 -0.20606 0.10967 0.01064 1 19 6 -0.01366 0.01284 -0.03246 0.00976 0.01789 2 19 6 0.01678 -0.01231 -0.01668 0.02232 -0.01690 3 19 6 0.02224 -0.01822 -0.01451 0.02095 -0.02301 1 20 1 -0.01312 0.01295 -0.03874 0.01412 0.01837 2 20 1 0.01551 -0.01084 -0.01644 0.02263 -0.01812 3 20 1 0.02073 -0.01716 -0.00894 0.01728 -0.02408 1 21 1 -0.03722 0.03260 -0.04887 -0.00477 0.05303 2 21 1 0.01436 -0.01022 -0.01809 0.02109 -0.01412 3 21 1 0.04304 -0.03609 -0.00009 0.03141 -0.04898 1 22 1 0.00596 -0.00453 -0.00686 0.01390 -0.01256 2 22 1 0.04355 -0.03515 0.00080 0.03721 -0.05209 3 22 1 0.02286 -0.01895 -0.01001 0.01914 -0.02553 1 23 6 -0.02813 0.02781 -0.01120 -0.01528 0.05484 2 23 6 -0.00615 -0.01440 -0.07159 -0.06022 0.06481 3 23 6 -0.00091 -0.00758 -0.04213 -0.01284 0.00908 1 24 6 -0.04751 0.06738 -0.05151 -0.01787 0.09360 2 24 6 -0.04318 0.00310 0.00241 -0.00597 -0.01708 3 24 6 0.02496 -0.06195 -0.00757 -0.04325 -0.05803 1 25 6 -0.02686 0.00032 0.00327 -0.01660 0.02571 2 25 6 -0.04085 0.06767 0.00594 0.00575 0.04144 3 25 6 0.01928 0.02301 0.04451 -0.01349 0.00975 1 26 6 -0.02075 -0.01065 0.01927 -0.02768 0.02426 2 26 6 0.00680 0.00338 -0.03280 0.01278 0.01369 3 26 6 0.01581 0.00334 0.04937 -0.00438 0.00023 1 27 6 -0.02404 0.01151 0.06537 -0.06523 0.06247 2 27 6 0.01641 -0.00564 -0.10566 0.02978 0.01932 3 27 6 0.01088 0.00272 -0.00040 0.00915 0.00556 1 28 1 -0.01204 -0.03283 -0.00566 -0.05887 0.01344 2 28 1 -0.00659 -0.03077 -0.00706 -0.09337 0.04977 3 28 1 0.01492 -0.05013 -0.08832 -0.02815 -0.01785 1 29 1 -0.04235 0.01173 0.07565 -0.03812 0.04646 2 29 1 -0.04042 0.06106 0.00837 0.03187 0.04905 3 29 1 0.02891 0.01686 0.01221 0.00611 0.00445 1 30 1 -0.09127 0.06100 0.03308 -0.02924 0.06949 2 30 1 0.04089 -0.03590 -0.03131 0.01651 -0.01839 3 30 1 0.04704 -0.04091 0.07071 0.00395 -0.04910 1 31 1 -0.03471 0.01514 0.04721 -0.14313 0.12717 2 31 1 0.00106 0.00175 -0.13037 0.01892 0.04023 3 31 1 0.03234 -0.00626 0.03861 0.03055 -0.02737 1 32 1 0.00545 0.16924 -0.04165 0.00208 0.20050 2 32 1 -0.02622 0.08520 0.03838 0.01469 0.01766 3 32 1 0.00856 -0.11698 -0.03127 -0.05924 -0.08807 1 33 8 -0.04936 0.10751 -0.06189 -0.00264 0.14501 2 33 8 -0.02651 -0.00476 -0.05917 -0.04636 0.05461 3 33 8 0.03892 -0.08615 -0.02214 -0.05744 -0.05763 1 34 8 -0.06178 0.03470 -0.06738 -0.03750 0.04419 2 34 8 -0.10227 -0.11741 0.00677 0.00704 -0.12093 3 34 8 -0.01879 -0.13927 -0.04329 -0.08164 -0.14268 1 35 8 0.07819 0.00692 -0.06595 0.04931 -0.00981 2 35 8 0.02246 0.10877 0.02708 0.00376 0.03152 3 35 8 0.00534 -0.00947 0.00453 0.01279 0.00692 1 36 1 0.05682 -0.00592 -0.08499 0.03974 -0.02897 2 36 1 0.61614 0.35877 0.24836 0.29517 0.31087 3 36 1 -0.34929 -0.20039 -0.24991 -0.15254 -0.26095 1 37 8 0.10213 -0.15880 -0.06185 0.01958 -0.11266 2 37 8 0.04689 -0.05006 0.00153 0.01040 -0.03623 3 37 8 0.03143 -0.00472 -0.01991 0.01885 -0.00436 1 38 1 0.11956 -0.17681 -0.07840 0.03223 -0.12994 2 38 1 0.06296 -0.08427 0.04368 -0.02276 -0.07209 3 38 1 0.12052 -0.09789 -0.09504 0.07590 -0.09485 1 39 6 -0.02219 0.02933 -0.01160 0.02785 0.01503 2 39 6 -0.00606 0.01443 0.02463 0.00574 0.00589 3 39 6 -0.03660 0.06758 0.03422 0.09116 -0.01361 1 40 8 -0.01092 0.01749 0.05362 0.05697 -0.04618 2 40 8 -0.00432 0.01126 0.04068 -0.01091 0.01346 3 40 8 -0.03746 0.06933 0.04051 0.12964 -0.04681 1 41 8 -0.01240 0.01322 -0.03883 -0.02404 0.05179 2 41 8 -0.01429 0.04678 0.17809 0.14109 -0.13427 3 41 8 -0.03893 0.06631 0.00240 0.07522 0.01225 1 42 6 -0.01310 0.01739 -0.00676 0.05016 -0.02311 2 42 6 0.04570 -0.09317 -0.10657 -0.20642 0.11580 3 42 6 0.02352 -0.06030 -0.08927 -0.09246 0.04645 1 43 1 -0.02939 0.05058 -0.00825 0.10096 -0.03050 2 43 1 0.09312 -0.19261 -0.19831 -0.38082 0.18958 3 43 1 0.02364 -0.06081 -0.10623 -0.09713 0.05564 1 44 1 -0.02465 0.04338 0.03532 0.10029 -0.05102 2 44 1 0.07295 -0.15519 -0.22202 -0.32758 0.18868 3 44 1 0.02495 -0.06099 -0.06274 -0.09201 0.03653 1 45 1 0.01270 -0.03818 -0.09326 -0.05747 0.03575 2 45 1 0.01487 -0.02956 -0.03806 -0.09192 0.06383 3 45 1 0.07487 -0.16700 -0.20701 -0.28535 0.13522 1 46 6 -0.02465 -0.09367 0.01534 0.02840 0.01178 2 46 6 -0.05490 -0.08089 -0.01044 0.00288 -0.04170 3 46 6 -0.01993 0.08094 -0.01141 -0.00998 -0.00275 1 47 6 0.02050 0.07004 -0.00468 -0.02293 -0.04344 2 47 6 0.04849 0.02700 0.00706 -0.00093 0.01698 3 47 6 -0.01637 -0.04257 0.02030 0.04131 0.06786 1 48 6 -0.00761 0.06598 -0.03157 -0.05950 -0.11788 2 48 6 0.03516 0.01792 0.00605 0.00915 0.03565 3 48 6 -0.02103 -0.05120 0.03521 0.06097 0.08569 1 49 6 -0.05813 0.03359 -0.02953 -0.02790 -0.06029 2 49 6 -0.02440 0.00891 -0.00327 0.01318 0.01706 3 49 6 -0.04532 -0.02121 0.01457 0.02615 0.00846 1 50 6 -0.04999 0.02668 -0.02839 -0.01660 -0.01093 2 50 6 -0.09798 -0.06626 -0.00038 0.02311 -0.05240 3 50 6 0.00327 0.00605 -0.00099 -0.00630 -0.00482 1 51 1 -0.08457 -0.19246 0.01416 0.04185 -0.01410 2 51 1 -0.05230 -0.00642 -0.02579 -0.02095 -0.06011 3 51 1 -0.09126 0.07875 -0.03980 -0.03533 -0.07045 1 52 1 -0.01531 0.03568 -0.01449 -0.04161 -0.10388 2 52 1 0.05727 0.04826 -0.00279 -0.00638 0.02420 3 52 1 0.05355 0.00904 0.02854 0.02869 0.06076 1 53 1 -0.11467 -0.01035 -0.02030 0.00239 -0.04167 2 53 1 0.01176 0.01654 -0.00326 -0.00318 0.00359 3 53 1 -0.02762 -0.05363 0.02564 0.02535 0.00434 1 54 1 -0.07088 0.02375 -0.00889 -0.00395 -0.05591 2 54 1 -0.09608 -0.06975 0.03674 0.06155 -0.03549 3 54 1 0.03807 0.00465 0.01713 0.02538 0.08935 1 55 1 0.00593 0.03865 0.00414 -0.00925 -0.02859 2 55 1 -0.00500 -0.00519 0.00849 0.00958 0.00204 3 55 1 -0.05953 -0.04823 0.01355 0.03964 0.03810 1 56 8 0.04493 0.04866 0.01483 0.00698 0.03455 2 56 8 0.04196 -0.01278 0.02563 0.03885 0.09471 3 56 8 -0.00478 -0.00775 0.02280 0.04670 0.10858 1 57 8 0.06503 0.12685 -0.00095 -0.02435 -0.02006 2 57 8 0.05930 0.01823 -0.00765 -0.03058 -0.03499 3 57 8 0.08843 0.03805 -0.02101 -0.04981 -0.04157 1 58 1 0.19849 0.15340 -0.03802 -0.12377 -0.15825 2 58 1 0.07545 0.04933 -0.03244 -0.07206 -0.09189 3 58 1 0.16959 0.04721 -0.03796 -0.10200 -0.11399 1 59 8 0.03099 0.04803 -0.02180 -0.06445 -0.13360 2 59 8 -0.05354 -0.09743 0.04701 0.08697 0.11986 3 59 8 0.05773 -0.05971 0.04718 0.05146 0.07815 1 60 1 0.10981 0.02904 0.00585 -0.05672 -0.13041 2 60 1 -0.20014 -0.21765 0.02220 0.09134 0.12890 3 60 1 0.07420 -0.01659 0.04483 0.04729 0.07441 1 61 8 -0.09373 -0.10726 -0.00384 0.01055 -0.02674 2 61 8 0.02806 0.00283 0.00359 -0.01092 -0.02022 3 61 8 -0.07071 0.04354 0.00009 0.02853 0.01659 1 62 1 -0.07718 -0.17311 -0.04581 -0.06078 -0.09603 2 62 1 -0.00097 0.10259 0.02791 0.04658 0.04115 3 62 1 -0.10593 0.12907 -0.02516 0.02048 0.01869 1 63 6 0.02377 -0.12839 0.03825 0.04995 0.05080 2 63 6 -0.01670 0.00360 -0.01531 -0.01399 -0.03645 3 63 6 -0.00849 0.09102 -0.02616 -0.03673 -0.05070 1 64 8 0.03515 -0.06928 0.02681 0.03491 0.05698 2 64 8 -0.00854 0.06084 -0.01940 -0.02840 -0.04550 3 64 8 -0.01751 0.02984 -0.02040 -0.02470 -0.05457 1 65 8 0.02473 -0.11926 0.03821 0.04958 0.05066 2 65 8 0.01260 0.16610 -0.04690 -0.06833 -0.07444 3 65 8 0.00042 0.10248 -0.04252 -0.06183 -0.06852 1 66 6 0.01525 -0.04354 0.01872 0.02874 0.04249 2 66 6 0.04771 -0.04455 0.01064 0.00347 0.00880 3 66 6 0.07034 -0.08130 0.02577 0.02275 0.04285 1 67 1 0.03147 -0.07375 0.02428 0.03315 0.04792 2 67 1 0.04546 -0.04761 0.00995 0.00282 0.00764 3 67 1 0.05613 -0.06844 0.02059 0.01792 0.03539 1 68 1 0.06025 -0.10349 0.04320 0.05443 0.09705 2 68 1 0.11173 -0.12900 0.04196 0.03574 0.06987 3 68 1 0.10900 -0.13257 0.04630 0.04432 0.08752 1 69 1 -0.07509 0.07982 -0.02814 -0.02060 -0.05673 2 69 1 0.02531 -0.02065 0.00053 -0.00660 -0.01098 3 69 1 0.11212 -0.12972 0.04532 0.04252 0.08224 1 70 19 -0.00306 0.01207 -0.00200 -0.00543 -0.00669 2 70 19 -0.00632 0.00963 0.00168 -0.00044 0.00836 3 70 19 -0.00051 0.00161 0.00432 0.00155 0.00018 46 47 48 49 50 A A A A A Frequencies --- 346.9239 360.4057 363.7980 382.3731 382.6348 Reduced masses --- 1.2087 2.2742 3.1837 3.7200 3.2360 Force constants --- 0.0857 0.1740 0.2483 0.3205 0.2791 IR Intensities --- 43.6491 65.2769 78.3000 12.1920 11.5296 Coord Atom Element: 1 1 6 -0.00507 -0.01165 -0.01184 0.04075 0.05682 2 1 6 0.00210 0.00046 -0.00322 -0.04336 -0.06083 3 1 6 -0.00412 -0.00010 0.00029 0.00756 0.01104 1 2 6 -0.00769 -0.02114 -0.03271 -0.03219 -0.04242 2 2 6 0.00340 -0.01069 -0.00836 0.00355 0.00181 3 2 6 0.00985 0.02330 0.02807 -0.02106 -0.03056 1 3 6 -0.00485 -0.01518 -0.02384 -0.02223 -0.02812 2 3 6 0.01395 -0.01910 -0.02013 0.10087 0.14835 3 3 6 -0.00056 0.04420 0.06343 -0.00241 -0.01080 1 4 6 -0.00052 0.03130 0.04472 -0.02241 -0.03638 2 4 6 0.01606 -0.01239 -0.01281 0.08146 0.12083 3 4 6 -0.00992 0.02590 0.03382 -0.03868 -0.05925 1 5 6 0.01552 0.03050 0.05008 0.03071 0.03642 2 5 6 0.01362 0.02709 0.04047 0.02218 0.02931 3 5 6 -0.01079 -0.01730 -0.02431 0.02195 0.03430 1 6 1 -0.02682 -0.03169 -0.04986 -0.06674 -0.09152 2 6 1 0.04395 -0.03744 -0.04085 0.15574 0.23140 3 6 1 0.00645 0.00576 0.01128 -0.00009 -0.00246 1 7 1 -0.02980 0.05594 0.07527 -0.06887 -0.10812 2 7 1 0.03566 -0.06953 -0.09149 0.12738 0.19720 3 7 1 -0.02345 0.01034 0.00967 -0.04469 -0.06544 1 8 1 -0.00040 0.04989 0.07790 0.08087 0.10414 2 8 1 0.00269 0.03892 0.05721 0.05143 0.06872 3 8 1 -0.01174 -0.03607 -0.04500 0.10517 0.15567 1 9 1 -0.02409 0.01427 0.01948 -0.07224 -0.11084 2 9 1 -0.00256 0.00707 0.01530 -0.03222 -0.05301 3 9 1 0.01202 0.03843 0.03896 -0.10532 -0.14798 1 10 8 0.00300 0.00479 0.01174 0.01773 0.02108 2 10 8 0.00898 0.01414 0.01759 -0.06065 -0.08833 3 10 8 0.00315 0.01302 0.01765 0.01197 0.01575 1 11 8 -0.00274 -0.08409 -0.12870 -0.03844 -0.03734 2 11 8 -0.02041 -0.00901 -0.00330 -0.00851 -0.02155 3 11 8 -0.01165 -0.07798 -0.12119 -0.03526 -0.03583 1 12 8 0.00383 0.01307 0.02141 0.03348 0.04581 2 12 8 -0.05289 0.06193 0.08442 0.02383 0.02438 3 12 8 0.04401 0.00790 0.02080 0.07293 0.10299 1 13 1 0.40682 0.00296 0.03950 -0.02555 -0.03865 2 13 1 0.65344 0.06666 0.13745 -0.22841 -0.33960 3 13 1 -0.33105 0.02069 0.00713 0.10456 0.14782 1 14 8 -0.02477 0.03998 0.05630 -0.01567 -0.02902 2 14 8 0.03642 -0.02452 -0.03740 -0.06853 -0.09273 3 14 8 0.04172 0.02205 0.03180 -0.05173 -0.07589 1 15 1 0.12771 0.00488 0.02728 0.05566 0.08185 2 15 1 -0.49348 0.12559 0.10325 -0.26957 -0.41201 3 15 1 -0.11807 0.07494 0.08500 -0.09881 -0.15302 1 16 6 -0.01088 -0.01923 -0.02636 0.02505 0.03767 2 16 6 -0.00695 -0.01186 -0.02134 -0.03003 -0.03999 3 16 6 -0.00742 -0.01357 -0.01938 0.00211 0.00543 1 17 8 -0.00390 -0.00895 -0.01383 -0.00190 -0.00108 2 17 8 -0.00310 -0.00626 -0.01271 -0.03410 -0.04557 3 17 8 -0.00378 -0.00679 -0.01364 -0.03456 -0.04668 1 18 8 -0.00446 -0.00854 -0.01182 0.00676 0.01047 2 18 8 -0.02307 -0.03719 -0.05315 0.04135 0.06359 3 18 8 -0.02372 -0.04505 -0.06441 0.01749 0.03054 1 19 6 -0.00703 -0.01358 -0.02280 -0.01580 -0.01912 2 19 6 -0.00064 -0.00265 -0.00126 0.01976 0.02759 3 19 6 0.00347 0.00348 0.00776 0.01903 0.02505 1 20 1 -0.00874 -0.01573 -0.02584 -0.01656 -0.01991 2 20 1 -0.00109 -0.00177 0.00076 0.02775 0.03840 3 20 1 0.00478 0.00598 0.01188 0.02516 0.03310 1 21 1 -0.00943 -0.01773 -0.03508 -0.07174 -0.09518 2 21 1 -0.00082 -0.00294 -0.00201 0.01725 0.02423 3 21 1 0.00545 0.00644 0.01592 0.04986 0.06659 1 22 1 -0.00044 -0.00460 -0.00421 0.02983 0.04176 2 22 1 0.00195 0.00127 0.00998 0.06592 0.08996 3 22 1 0.00513 0.00567 0.01160 0.02455 0.03226 1 23 6 0.00318 0.00094 -0.00717 -0.01926 -0.02323 2 23 6 0.00304 0.02007 0.03073 -0.01330 -0.01104 3 23 6 0.00227 0.00388 0.02079 0.00970 0.01649 1 24 6 0.01131 -0.00415 -0.00028 0.01510 0.01967 2 24 6 -0.00134 0.02460 -0.01202 -0.01306 -0.00999 3 24 6 -0.00400 -0.01466 -0.03093 0.00472 -0.01418 1 25 6 0.00382 -0.03269 -0.05059 -0.00301 -0.00193 2 25 6 0.00520 0.04041 -0.02772 -0.00854 0.00381 3 25 6 0.00263 -0.03369 -0.05168 -0.00167 -0.00477 1 26 6 0.00214 -0.03474 -0.06721 -0.01858 -0.01568 2 26 6 0.00000 0.02993 0.02309 0.00595 0.00407 3 26 6 0.00354 -0.03023 -0.04841 0.00408 0.00735 1 27 6 0.00496 -0.04931 -0.08140 -0.03283 -0.03046 2 27 6 -0.00586 0.05415 0.07367 -0.00114 -0.00734 3 27 6 0.00144 -0.00919 -0.01695 0.00771 0.01413 1 28 1 -0.00132 -0.00103 -0.04288 -0.03698 -0.04802 2 28 1 0.00361 -0.01861 -0.02492 -0.02357 -0.02425 3 28 1 -0.00243 0.03341 0.03042 0.00156 0.00376 1 29 1 0.00599 -0.08634 -0.11181 -0.02110 -0.01567 2 29 1 0.00278 0.03341 0.02215 -0.02073 -0.00464 3 29 1 0.00082 -0.01403 -0.00376 0.00308 -0.00161 1 30 1 0.00941 -0.02760 -0.09173 -0.01835 -0.00662 2 30 1 -0.00364 0.02192 0.02420 0.00841 0.00437 3 30 1 0.00024 -0.05066 -0.07089 0.01186 0.01750 1 31 1 0.01894 -0.00543 -0.02312 -0.02270 -0.01168 2 31 1 -0.00704 0.04738 0.07819 -0.00946 -0.01504 3 31 1 0.00212 -0.00542 -0.02947 0.01852 0.02304 1 32 1 0.02041 0.01633 -0.02037 -0.00243 0.04030 2 32 1 0.00498 0.04226 -0.06494 -0.01327 0.00617 3 32 1 -0.00858 -0.02723 0.00193 0.00675 -0.02557 1 33 8 0.01299 0.01166 0.05240 0.01017 0.01428 2 33 8 0.00174 0.04257 0.02804 -0.02862 -0.01897 3 33 8 -0.00498 -0.02415 -0.03666 -0.00089 -0.01160 1 34 8 0.00681 -0.01690 0.03393 0.03302 0.01359 2 34 8 -0.01122 -0.05036 0.04661 0.02041 -0.02451 3 34 8 -0.01186 -0.01356 0.00689 0.01939 -0.02959 1 35 8 0.00094 0.06939 0.01554 0.02019 0.03237 2 35 8 0.00940 0.08092 -0.11394 0.00316 0.02552 3 35 8 -0.00224 -0.03695 0.05022 -0.00562 -0.01534 1 36 1 0.00162 0.11730 -0.01954 0.02111 0.04332 2 36 1 -0.00764 -0.59726 0.63523 0.03781 -0.09879 3 36 1 0.00929 0.64086 -0.50140 -0.00139 0.13022 1 37 8 -0.01135 0.04742 0.05195 -0.01081 -0.01789 2 37 8 -0.00469 -0.01410 -0.01749 0.00690 0.00644 3 37 8 0.00259 0.04900 0.03866 0.01056 0.00860 1 38 1 -0.01392 0.04947 0.06935 0.00097 -0.00462 2 38 1 -0.00301 0.02865 -0.00184 -0.04335 -0.05996 3 38 1 -0.00887 0.07082 0.12896 0.05811 0.05983 1 39 6 0.00218 0.02150 0.02923 -0.00375 -0.00318 2 39 6 0.00240 -0.00776 -0.00102 0.00158 0.00196 3 39 6 -0.00009 0.01282 0.03300 0.00707 0.01541 1 40 8 -0.00478 0.01631 0.00146 -0.00505 -0.00077 2 40 8 0.00459 -0.02785 -0.01211 0.01267 0.01859 3 40 8 -0.00714 0.04058 0.03691 -0.00896 -0.00879 1 41 8 0.00906 -0.00463 0.03358 0.01392 0.02527 2 41 8 -0.00891 -0.00089 -0.06411 -0.01837 -0.02722 3 41 8 -0.00034 0.02158 0.05138 0.00668 0.01402 1 42 6 -0.00594 0.03194 0.02185 -0.01091 -0.01227 2 42 6 0.01325 -0.06193 -0.02488 0.02160 0.02426 3 42 6 0.00262 0.00141 0.01210 0.00175 0.00379 1 43 1 -0.00831 0.04952 0.04136 -0.01657 -0.02147 2 43 1 0.02307 -0.09984 -0.04816 0.03310 0.03852 3 43 1 0.00320 0.00363 0.01791 0.00087 0.00153 1 44 1 -0.00806 0.03899 0.02390 -0.01274 -0.01300 2 44 1 0.01817 -0.07499 -0.02427 0.02429 0.02262 3 44 1 0.00257 -0.00678 0.00161 0.00495 0.00981 1 45 1 -0.00313 0.01526 0.01552 -0.00708 -0.01118 2 45 1 0.00713 -0.03790 -0.01139 0.01495 0.01723 3 45 1 0.01244 -0.03829 -0.00993 0.01275 0.01513 1 46 6 0.00006 -0.01725 0.02183 0.03951 -0.01971 2 46 6 -0.00407 -0.04627 0.05767 -0.03852 0.03147 3 46 6 0.00075 0.00160 -0.00648 0.09098 -0.05628 1 47 6 -0.00322 0.00057 -0.00800 -0.01911 0.00454 2 47 6 0.00114 0.01512 -0.01751 -0.00841 0.00053 3 47 6 0.00444 0.00329 0.00318 -0.05693 0.03762 1 48 6 -0.00859 -0.02245 0.01986 -0.09904 0.05568 2 48 6 0.00337 0.01246 -0.01497 0.13716 -0.07640 3 48 6 0.00512 0.00541 -0.00193 -0.05844 0.03614 1 49 6 -0.00346 -0.03060 0.03812 -0.05787 0.04687 2 49 6 0.00226 -0.01301 0.01672 0.10906 -0.04815 3 49 6 -0.00089 -0.01366 0.01567 -0.12087 0.06919 1 50 6 0.00048 -0.02287 0.03469 -0.01432 0.02098 2 50 6 -0.00496 -0.06153 0.06756 0.04759 -0.01976 3 50 6 -0.00065 0.00713 -0.01097 0.01860 -0.01750 1 51 1 -0.00257 -0.04760 0.05770 0.05307 -0.01984 2 51 1 -0.00445 -0.04022 0.04855 -0.02297 0.01995 3 51 1 -0.00354 -0.02657 0.02324 0.13197 -0.07496 1 52 1 -0.00906 -0.01890 0.01602 -0.22039 0.11634 2 52 1 0.00311 0.01423 -0.01819 0.17632 -0.09782 3 52 1 0.00318 0.01973 -0.02274 -0.08852 0.04069 1 53 1 -0.00280 -0.05015 0.06659 -0.15911 0.11286 2 53 1 0.00140 0.00881 -0.01072 0.11927 -0.06002 3 53 1 -0.00163 0.01334 -0.01403 -0.20571 0.11291 1 54 1 -0.00407 -0.02830 0.03701 -0.08301 0.05009 2 54 1 -0.00447 -0.04747 0.04552 0.08631 -0.05347 3 54 1 0.00711 0.03266 -0.04041 0.17355 -0.10570 1 55 1 -0.00221 0.00636 -0.01564 0.01087 -0.01479 2 55 1 -0.00068 -0.00185 0.00300 -0.10304 0.05948 3 55 1 0.00157 -0.01965 0.03166 -0.18632 0.11878 1 56 8 0.00292 0.02591 -0.03211 0.05789 -0.04217 2 56 8 0.00665 0.01925 -0.01127 -0.05446 0.03349 3 56 8 0.00851 0.02533 -0.02224 0.05535 -0.03029 1 57 8 -0.00119 0.01815 -0.02900 0.02597 -0.02430 2 57 8 -0.00270 0.00727 -0.01056 -0.02990 0.01022 3 57 8 -0.00289 0.00679 -0.00639 -0.05391 0.02599 1 58 1 -0.01042 0.00714 -0.02378 0.01088 -0.04233 2 58 1 -0.00693 -0.00040 -0.00277 -0.06807 0.03663 3 58 1 -0.00761 0.00191 -0.00523 -0.05270 0.00725 1 59 8 -0.00972 -0.00800 -0.00184 -0.00566 -0.00432 2 59 8 0.00767 0.00631 -0.00157 0.01425 -0.00356 3 59 8 0.00510 0.03175 -0.03897 0.11457 -0.07240 1 60 1 -0.00983 0.01019 -0.03264 0.14296 -0.10182 2 60 1 0.00956 0.04814 -0.03038 -0.20551 0.10995 3 60 1 0.00458 0.01275 -0.01944 0.12717 -0.07168 1 61 8 -0.00168 -0.00762 0.00563 0.09097 -0.04613 2 61 8 -0.00163 0.01419 -0.01226 -0.11662 0.06532 3 61 8 0.00059 -0.04443 0.05368 -0.06223 0.05261 1 62 1 -0.00340 0.02499 -0.03853 0.23190 -0.19906 2 62 1 0.00093 -0.03211 0.04735 -0.19909 0.18163 3 62 1 0.00292 -0.07364 0.09095 0.01058 0.02916 1 63 6 0.00226 0.00145 0.00211 -0.00478 0.00473 2 63 6 -0.00294 -0.02466 0.02917 -0.01308 0.01147 3 63 6 -0.00276 -0.00883 0.00366 0.06386 -0.04126 1 64 8 0.00354 0.01571 -0.01240 -0.04477 0.02793 2 64 8 -0.00292 -0.00964 0.00619 0.05188 -0.03271 3 64 8 -0.00395 -0.02474 0.02430 0.05544 -0.03246 1 65 8 0.00220 0.00203 0.00032 0.01175 -0.00590 2 65 8 -0.00392 0.00142 -0.00619 0.01231 -0.01090 3 65 8 -0.00345 -0.00168 -0.00029 -0.02657 0.01491 1 66 6 0.00266 0.00534 -0.00216 -0.01442 0.00990 2 66 6 0.00036 0.01067 -0.01066 -0.03513 0.02074 3 66 6 0.00247 0.01971 -0.01738 -0.05978 0.03619 1 67 1 0.00284 0.00821 -0.00464 -0.02601 0.01729 2 67 1 0.00027 0.01123 -0.01109 -0.04665 0.02783 3 67 1 0.00204 0.01880 -0.01655 -0.07528 0.04554 1 68 1 0.00626 0.03119 -0.02607 -0.08765 0.05394 2 68 1 0.00427 0.03459 -0.03266 -0.09044 0.05392 3 68 1 0.00540 0.03978 -0.03584 -0.11479 0.06926 1 69 1 -0.00390 -0.03713 0.03666 0.10995 -0.06485 2 69 1 -0.00092 0.00305 -0.00350 -0.02515 0.01493 3 69 1 0.00503 0.03577 -0.03229 -0.09100 0.05475 1 70 19 -0.00020 -0.00223 -0.00124 -0.00076 -0.00152 2 70 19 0.00095 -0.00293 -0.00007 0.00081 0.00099 3 70 19 -0.00051 -0.00034 -0.00113 0.00127 0.00088 51 52 53 54 55 A A A A A Frequencies --- 399.0580 403.4689 422.2467 426.6519 435.6309 Reduced masses --- 3.7253 4.5659 2.1981 3.6601 2.1853 Force constants --- 0.3495 0.4379 0.2309 0.3926 0.2443 IR Intensities --- 48.1611 7.0243 54.6668 2.4413 17.5934 Coord Atom Element: 1 1 6 0.09634 0.11195 0.00073 0.00222 0.00050 2 1 6 0.01472 0.01050 -0.00295 0.00146 0.00035 3 1 6 -0.07685 -0.09538 -0.00037 0.00978 -0.00126 1 2 6 0.01952 0.00507 -0.00239 -0.00198 0.00142 2 2 6 0.02329 -0.04362 0.00753 0.01219 -0.00137 3 2 6 0.02491 0.06482 -0.00484 -0.00685 0.00065 1 3 6 -0.02484 -0.05490 -0.00951 0.02477 0.00027 2 3 6 -0.05315 0.00167 -0.00431 0.00544 0.00020 3 3 6 0.05985 0.07876 0.01998 -0.05715 0.00122 1 4 6 -0.03052 -0.11489 -0.00775 0.05017 -0.00187 2 4 6 -0.07692 -0.02943 -0.00700 0.01123 -0.00008 3 4 6 0.01531 -0.00157 0.01070 -0.02842 0.00046 1 5 6 0.03563 0.01408 0.00717 -0.00070 -0.00131 2 5 6 -0.03878 -0.00249 0.00956 -0.03782 0.00043 3 5 6 -0.04388 -0.03556 -0.00178 0.00399 -0.00007 1 6 1 0.02253 -0.02890 -0.00209 0.00255 0.00106 2 6 1 -0.11889 -0.04616 -0.01535 0.03434 -0.00035 3 6 1 0.05180 0.06735 0.01748 -0.05549 0.00173 1 7 1 0.02454 -0.07864 0.00427 0.02190 -0.00136 2 7 1 -0.16728 -0.09227 -0.02466 0.04840 -0.00022 3 7 1 0.00008 -0.01400 0.00905 -0.02681 0.00076 1 8 1 0.03385 0.10800 0.03687 -0.10830 0.00096 2 8 1 -0.04023 0.05419 0.02775 -0.10387 0.00184 3 8 1 -0.02706 0.01043 -0.00951 0.02879 -0.00020 1 9 1 0.06972 -0.04902 0.01568 -0.00538 -0.00100 2 9 1 0.03539 -0.07379 0.01205 0.01309 -0.00203 3 9 1 -0.00089 0.03144 -0.01497 0.00371 0.00173 1 10 8 0.14177 0.05843 -0.01632 0.08520 -0.00194 2 10 8 0.06556 -0.01354 -0.01470 0.06350 -0.00105 3 10 8 -0.00385 0.03397 0.00358 -0.01979 0.00073 1 11 8 -0.01483 0.05460 -0.02000 -0.00319 0.00318 2 11 8 0.08720 -0.04445 0.01416 0.02427 -0.00293 3 11 8 0.06603 0.11604 -0.03154 0.05040 0.00224 1 12 8 -0.01936 0.00661 0.00990 -0.02695 0.00038 2 12 8 0.06693 0.08180 0.01450 -0.03457 0.00072 3 12 8 -0.00788 0.06475 0.01801 -0.06154 0.00137 1 13 1 0.06599 0.12569 0.04221 -0.13161 0.00143 2 13 1 0.31885 0.26911 0.05969 -0.17148 0.00207 3 13 1 -0.07147 -0.04904 -0.01381 0.04282 0.00036 1 14 8 -0.01875 -0.09347 0.00128 0.02448 -0.00162 2 14 8 0.01212 0.01132 -0.00968 0.01172 0.00049 3 14 8 -0.02647 -0.10174 -0.00876 0.04273 -0.00138 1 15 1 -0.17682 -0.23447 -0.03651 0.12677 -0.00421 2 15 1 0.45546 0.27183 0.09619 -0.21513 0.00655 3 15 1 0.07765 -0.08663 0.01596 0.01026 -0.00037 1 16 6 0.01637 0.04608 0.00350 -0.01575 0.00079 2 16 6 -0.03268 -0.03415 -0.00438 0.00496 -0.00010 3 16 6 -0.07214 -0.07972 -0.00295 0.00940 -0.00114 1 17 8 -0.01413 -0.01116 -0.00040 -0.00067 0.00022 2 17 8 -0.10181 -0.13071 -0.00661 0.02104 -0.00140 3 17 8 -0.07093 -0.09287 -0.00598 0.01706 -0.00091 1 18 8 0.00749 0.01801 0.00107 -0.00536 0.00028 2 18 8 -0.02592 0.02594 0.00146 -0.02137 0.00090 3 18 8 -0.01012 0.04292 0.00010 -0.02067 0.00130 1 19 6 -0.05651 -0.06278 -0.00253 0.00614 -0.00015 2 19 6 0.03389 0.04653 0.00219 -0.00676 0.00051 3 19 6 0.05780 0.07041 0.00267 -0.00782 0.00057 1 20 1 -0.06247 -0.07014 -0.00340 0.00802 -0.00026 2 20 1 0.05447 0.07631 0.00453 -0.01479 0.00087 3 20 1 0.07646 0.09666 0.00493 -0.01494 0.00089 1 21 1 -0.19207 -0.24231 -0.01241 0.03684 -0.00210 2 21 1 0.02617 0.03778 0.00201 -0.00635 0.00045 3 21 1 0.14014 0.17172 0.00638 -0.01911 0.00145 1 22 1 0.06413 0.09318 0.00558 -0.01952 0.00137 2 22 1 0.15064 0.19408 0.00824 -0.02573 0.00190 3 22 1 0.07323 0.09143 0.00421 -0.01269 0.00080 1 23 6 -0.06584 0.04092 0.00918 -0.08937 0.00524 2 23 6 -0.07461 0.06987 -0.00468 -0.05299 -0.00130 3 23 6 0.02464 -0.00278 -0.00630 0.03858 -0.00553 1 24 6 0.05442 -0.06983 0.07030 -0.07044 -0.00711 2 24 6 -0.05897 0.08279 -0.03080 0.03520 -0.00470 3 24 6 0.01289 -0.02663 0.01074 -0.07494 -0.00736 1 25 6 0.01702 -0.01191 0.02946 -0.02202 -0.00473 2 25 6 -0.02266 0.04513 -0.00718 0.02044 0.00084 3 25 6 0.03734 -0.03441 0.01723 -0.04833 0.00003 1 26 6 -0.02529 0.04459 0.00581 -0.01895 -0.00262 2 26 6 -0.00183 -0.03345 0.03574 -0.04792 0.00004 3 26 6 0.04355 -0.04595 0.00665 0.01787 0.00238 1 27 6 -0.07386 0.06257 -0.00707 -0.06033 0.00456 2 27 6 -0.02001 0.00638 0.01529 -0.04913 -0.00036 3 27 6 0.04371 -0.01778 -0.00939 0.04954 0.00106 1 28 1 -0.12449 0.07666 0.05185 -0.17258 -0.00100 2 28 1 -0.09431 0.07817 0.00238 -0.05829 0.00287 3 28 1 -0.01416 0.02310 0.03004 -0.03649 -0.01448 1 29 1 -0.00529 0.04020 0.00757 0.01556 -0.00115 2 29 1 -0.08553 0.13041 -0.05239 0.08732 0.00394 3 29 1 0.02711 -0.03054 0.01323 -0.04452 -0.00047 1 30 1 -0.00165 0.05796 0.00933 0.02399 -0.00576 2 30 1 -0.00187 -0.04454 0.03068 -0.04660 0.00116 3 30 1 0.07040 -0.06497 -0.00560 0.06846 0.00268 1 31 1 -0.16470 0.07469 -0.01122 -0.10176 0.00605 2 31 1 -0.03313 0.05654 -0.00147 -0.04148 -0.00166 3 31 1 0.06937 -0.09119 0.01609 0.04013 0.00301 1 32 1 0.07380 -0.09493 0.11618 -0.11308 -0.00826 2 32 1 -0.00689 0.03721 -0.02336 0.03895 -0.00138 3 32 1 -0.01947 0.00226 0.00273 -0.07381 -0.00884 1 33 8 -0.00241 0.01082 -0.03012 -0.01218 0.01156 2 33 8 -0.13575 0.15404 -0.04116 -0.01340 -0.00255 3 33 8 0.01934 -0.05473 0.09271 -0.12454 -0.01780 1 34 8 0.05295 -0.06343 0.05104 -0.04518 -0.00895 2 34 8 -0.01825 0.02182 -0.01531 0.03945 -0.00548 3 34 8 -0.03222 0.03485 -0.04879 -0.01122 -0.00643 1 35 8 0.05952 -0.08926 0.01276 0.01916 0.00552 2 35 8 0.07011 -0.06781 0.01357 -0.01861 0.00843 3 35 8 -0.03647 0.04871 -0.01129 -0.00491 -0.00249 1 36 1 0.07434 -0.10702 0.00965 0.02593 0.00442 2 36 1 -0.08489 0.05775 0.05547 -0.06431 0.04452 3 36 1 0.15841 -0.17054 -0.05102 0.08341 -0.01332 1 37 8 -0.09722 0.05309 -0.03642 -0.00353 -0.00090 2 37 8 0.02312 -0.03567 0.01257 -0.00287 0.00069 3 37 8 -0.00015 -0.06377 0.02234 -0.02600 0.00413 1 38 1 -0.11091 0.05161 -0.03181 -0.01907 -0.00226 2 38 1 0.02357 -0.00009 -0.04670 0.07422 0.00582 3 38 1 -0.06715 -0.07317 0.03294 -0.08450 -0.00124 1 39 6 -0.02781 0.02531 -0.00879 -0.00929 0.00488 2 39 6 0.00338 -0.00113 -0.00939 0.01037 0.00315 3 39 6 0.01791 0.00857 -0.05178 0.11716 0.00846 1 40 8 -0.01715 0.02323 -0.00881 0.01795 -0.00329 2 40 8 0.04526 -0.02108 -0.03692 0.09628 0.00885 3 40 8 -0.03893 0.03496 -0.01519 0.01088 0.00205 1 41 8 0.03306 0.00884 -0.06630 0.14722 0.01234 2 41 8 -0.02266 -0.00390 0.05577 -0.11052 -0.01292 3 41 8 0.00258 0.01641 -0.05289 0.10180 0.01118 1 42 6 -0.04282 0.03280 0.00860 -0.03708 -0.00395 2 42 6 0.07531 -0.05399 -0.01958 0.06789 0.00886 3 42 6 -0.00555 0.01056 -0.00429 0.00519 -0.00023 1 43 1 -0.06402 0.04376 0.01202 -0.06101 -0.00308 2 43 1 0.11635 -0.08124 -0.01929 0.08821 0.00905 3 43 1 -0.00900 0.01107 -0.00235 -0.00379 0.00020 1 44 1 -0.04773 0.03987 0.00216 -0.02474 -0.00401 2 44 1 0.07995 -0.06880 0.00025 0.02303 0.00899 3 44 1 0.00839 0.00513 -0.01156 0.03114 -0.00054 1 45 1 -0.03060 0.01528 0.02418 -0.06797 -0.00474 2 45 1 0.05140 -0.03458 -0.02439 0.06760 0.00918 3 45 1 0.03381 -0.02196 0.00485 0.00311 -0.00059 1 46 6 0.00412 -0.00498 0.03621 0.02598 -0.05023 2 46 6 0.01981 -0.02869 0.03957 0.01205 -0.03358 3 46 6 -0.01032 0.01376 0.02022 0.02320 -0.02506 1 47 6 -0.00714 0.00836 -0.03037 -0.00866 0.01809 2 47 6 -0.01087 0.01407 -0.01051 0.00038 0.02078 3 47 6 -0.00100 0.00418 0.02534 0.01302 -0.01897 1 48 6 0.00280 -0.00599 -0.00241 -0.00185 0.01858 2 48 6 0.01621 -0.02270 -0.03086 -0.04000 0.06824 3 48 6 0.00034 0.00189 -0.01888 -0.01162 0.00636 1 49 6 0.02902 -0.03589 0.01749 -0.01426 -0.00889 2 49 6 0.04678 -0.06267 -0.02952 -0.06566 0.09042 3 49 6 0.00171 -0.00473 -0.02716 -0.02195 0.03629 1 50 6 0.01285 -0.01294 0.05985 0.01793 -0.05945 2 50 6 0.02678 -0.03715 0.00318 -0.00364 0.01322 3 50 6 -0.01393 0.01491 0.00289 0.00752 0.00001 1 51 1 0.02719 -0.03588 0.01903 0.00244 -0.02537 2 51 1 0.01195 -0.01696 0.04203 0.01959 -0.03785 3 51 1 0.00429 -0.00391 0.00502 0.00880 -0.00505 1 52 1 -0.02843 0.03636 0.00382 0.03519 -0.06227 2 52 1 0.02321 -0.03251 -0.04044 -0.05447 0.10174 3 52 1 -0.02892 0.03848 -0.03315 0.00205 0.01314 1 53 1 0.03560 -0.03938 0.03338 0.00363 -0.09273 2 53 1 0.03864 -0.05367 -0.05336 -0.07533 0.11385 3 53 1 -0.01019 0.01246 -0.06040 -0.02363 -0.00531 1 54 1 -0.01001 0.01765 0.06278 0.06346 -0.06814 2 54 1 0.00238 -0.00282 0.01000 0.04465 -0.01739 3 54 1 -0.01175 0.01344 0.00790 0.00007 -0.02313 1 55 1 -0.01467 0.01969 -0.02084 0.00792 0.00409 2 55 1 -0.00153 0.00246 -0.02075 -0.01032 0.02971 3 55 1 0.01535 -0.01792 0.00914 -0.01084 0.00230 1 56 8 -0.02799 0.03891 0.04514 0.05492 -0.07179 2 56 8 -0.01590 0.02401 0.07993 0.05700 -0.09461 3 56 8 -0.01652 0.02761 0.06311 0.05025 -0.08092 1 57 8 -0.00876 0.00979 -0.06708 -0.03350 0.05808 2 57 8 -0.01709 0.02211 0.00570 0.02099 -0.01027 3 57 8 -0.01706 0.02290 0.02143 0.02818 -0.05327 1 58 1 -0.08781 0.10133 0.21698 0.20608 -0.04943 2 58 1 0.00433 -0.00240 -0.10576 -0.06068 -0.07362 3 58 1 -0.07241 0.08693 0.22876 0.19994 -0.10667 1 59 8 -0.00463 0.00159 0.00284 0.01163 0.04181 2 59 8 0.00749 -0.00573 -0.03554 -0.02526 -0.06773 3 59 8 -0.00798 0.00878 -0.02544 -0.00942 0.06354 1 60 1 -0.01110 0.00600 -0.06323 -0.02302 0.02396 2 60 1 -0.13693 0.17490 0.63618 0.49718 0.56277 3 60 1 0.03704 -0.04625 -0.20205 -0.15267 -0.11822 1 61 8 0.02890 -0.03591 -0.05833 -0.04135 -0.03544 2 61 8 -0.00599 0.00555 -0.00774 -0.00829 0.04051 3 61 8 0.04600 -0.06281 -0.01757 -0.06375 0.11180 1 62 1 -0.18195 0.18779 0.37529 0.24323 0.53623 2 62 1 0.19126 -0.20995 -0.34652 -0.26147 -0.38106 3 62 1 0.08776 -0.11914 0.03375 -0.08942 0.22959 1 63 6 0.00661 -0.00940 0.00227 0.00092 0.00306 2 63 6 0.00958 -0.01540 0.02438 0.00909 -0.02898 3 63 6 -0.00660 0.00701 0.01393 0.02075 -0.02328 1 64 8 0.00234 -0.00159 -0.01883 -0.01796 0.03086 2 64 8 -0.00315 0.00244 0.01605 0.02023 -0.02529 3 64 8 0.00338 -0.00782 0.03366 0.02916 -0.04530 1 65 8 0.00461 -0.00726 0.00449 0.00427 0.00254 2 65 8 -0.00799 0.01026 -0.01613 -0.00270 -0.00033 3 65 8 -0.00262 0.00560 -0.00852 -0.00395 -0.01064 1 66 6 0.00175 -0.00234 0.00110 -0.00174 0.00756 2 66 6 0.00406 -0.00454 -0.02885 -0.02207 0.03445 3 66 6 0.00453 -0.00473 -0.03071 -0.02579 0.03833 1 67 1 0.00435 -0.00525 -0.00849 -0.00989 0.01937 2 67 1 0.00533 -0.00582 -0.03749 -0.03018 0.04646 3 67 1 0.00561 -0.00578 -0.04237 -0.03700 0.05535 1 68 1 0.00257 -0.00027 -0.03788 -0.03609 0.05959 2 68 1 0.00517 -0.00384 -0.05736 -0.04682 0.07174 3 68 1 0.00504 -0.00307 -0.05863 -0.05048 0.07541 1 69 1 -0.00139 -0.00295 0.06754 0.05732 -0.08021 2 69 1 0.00487 -0.00609 -0.02650 -0.02057 0.03199 3 69 1 0.00400 -0.00265 -0.04342 -0.03622 0.05417 1 70 19 -0.00421 0.00287 0.00099 -0.00241 -0.00061 2 70 19 0.00497 -0.00367 0.00152 0.00070 0.00062 3 70 19 0.00392 -0.00377 -0.00048 0.00255 0.00081 56 57 58 59 60 A A A A A Frequencies --- 450.3994 468.6726 468.9905 479.6255 486.0446 Reduced masses --- 1.5231 1.5031 6.1784 6.6138 4.8213 Force constants --- 0.1820 0.1945 0.8007 0.8964 0.6711 IR Intensities --- 113.5287 59.6973 6.0347 1.6346 7.6555 Coord Atom Element: 1 1 6 -0.02571 0.00063 0.01487 -0.00109 0.02179 2 1 6 -0.04634 -0.00724 -0.09066 -0.02008 0.04402 3 1 6 0.03698 0.00467 0.07372 0.01094 -0.03449 1 2 6 0.00095 -0.00166 -0.05313 0.01534 -0.04774 2 2 6 0.01686 -0.00631 -0.02207 -0.01441 -0.05404 3 2 6 -0.03913 0.00914 0.07939 0.02955 -0.01085 1 3 6 0.00291 -0.00229 -0.06200 -0.00881 0.03026 2 3 6 0.04628 0.00629 0.04941 0.00188 0.04687 3 3 6 -0.01867 -0.00720 -0.06634 0.00958 -0.08210 1 4 6 -0.01082 -0.00314 -0.01574 -0.03141 0.07630 2 4 6 0.03508 0.00278 0.00290 -0.01649 0.09550 3 4 6 -0.03515 -0.01603 -0.17574 -0.03239 0.00355 1 5 6 0.00603 0.00986 0.16988 0.04420 -0.12568 2 5 6 -0.00399 -0.00893 -0.10665 -0.01500 -0.00747 3 5 6 0.00881 -0.00595 -0.07866 -0.02991 0.06931 1 6 1 -0.02145 -0.01088 -0.15087 0.00085 -0.07929 2 6 1 0.09559 0.01329 0.10200 -0.00975 0.15224 3 6 1 -0.00807 -0.01046 -0.11918 0.01245 -0.11687 1 7 1 -0.05064 -0.01232 -0.09515 -0.03808 0.02662 2 7 1 0.07363 0.00495 -0.02592 -0.04556 0.24032 3 7 1 -0.04592 -0.02199 -0.25564 -0.05580 0.05414 1 8 1 0.04645 0.00334 0.08267 0.06422 -0.25621 2 8 1 0.02169 -0.01285 -0.15994 -0.00260 -0.08726 3 8 1 0.04167 0.00575 0.04873 -0.01770 0.12238 1 9 1 -0.01669 -0.01590 -0.13501 -0.01744 -0.09812 2 9 1 0.00335 -0.01201 -0.06662 -0.02773 -0.06165 3 9 1 -0.06860 0.00801 0.02662 0.02500 0.04099 1 10 8 -0.01049 0.01935 0.27167 0.03370 0.00323 2 10 8 -0.03364 0.00462 0.07223 -0.00709 0.05994 3 10 8 0.00482 0.01264 0.14227 0.05003 -0.07795 1 11 8 0.01326 0.00552 -0.05072 0.03252 -0.02505 2 11 8 -0.00102 -0.01042 -0.02935 -0.03297 -0.04368 3 11 8 -0.03435 0.01663 0.09927 0.02706 0.07904 1 12 8 0.01092 -0.00482 -0.04690 -0.01043 0.00310 2 12 8 -0.03883 0.00009 0.03329 0.02688 -0.09709 3 12 8 0.03797 -0.00527 -0.06597 -0.00246 -0.01826 1 13 1 0.25956 -0.00585 -0.10852 -0.04074 0.11148 2 13 1 0.38143 0.00285 -0.04308 -0.00975 0.07094 3 13 1 -0.19694 -0.00367 -0.00469 0.02872 -0.12438 1 14 8 -0.01664 -0.01164 -0.10632 -0.05006 0.07991 2 14 8 -0.08773 -0.00275 -0.03528 0.01391 -0.05271 3 14 8 -0.03483 -0.00804 -0.08056 -0.03895 0.07939 1 15 1 -0.19121 -0.00770 -0.02687 -0.04132 0.08035 2 15 1 0.73401 0.00663 -0.08765 -0.07670 0.30894 3 15 1 0.27374 0.00149 -0.03120 -0.08224 0.28902 1 16 6 -0.00759 -0.00668 -0.08918 -0.02309 0.04845 2 16 6 0.00027 0.00303 0.02805 0.01137 -0.01592 3 16 6 0.04057 0.00541 0.07279 0.01293 -0.02868 1 17 8 0.00948 0.00057 0.00011 0.00103 0.00394 2 17 8 0.04661 0.01146 0.14549 0.03566 -0.07456 3 17 8 0.03263 0.01034 0.12702 0.03362 -0.06718 1 18 8 -0.01112 -0.00443 -0.05488 -0.01566 0.03437 2 18 8 0.01929 -0.00368 -0.07303 -0.01420 0.02884 3 18 8 0.00997 -0.00265 -0.06474 -0.00782 0.02951 1 19 6 0.03074 0.00472 0.04921 0.01304 -0.01910 2 19 6 -0.00650 -0.00177 -0.02291 -0.00495 0.01015 3 19 6 -0.02044 -0.00279 -0.03310 -0.00679 0.01137 1 20 1 0.03544 0.00580 0.06158 0.01611 -0.02300 2 20 1 -0.01686 -0.00530 -0.06757 -0.01562 0.03177 3 20 1 -0.03179 -0.00616 -0.07468 -0.01671 0.02951 1 21 1 0.08684 0.01982 0.23904 0.06003 -0.11386 2 21 1 -0.00426 -0.00137 -0.01794 -0.00345 0.00627 3 21 1 -0.04981 -0.00958 -0.11883 -0.02927 0.06177 1 22 1 -0.02587 -0.00885 -0.11854 -0.02783 0.06156 2 22 1 -0.05218 -0.01269 -0.16084 -0.04031 0.08635 3 22 1 -0.02990 -0.00509 -0.06076 -0.01308 0.02198 1 23 6 -0.00105 0.00401 -0.02668 0.05732 -0.04225 2 23 6 -0.01643 0.01052 0.05290 0.03379 0.07333 3 23 6 -0.00777 0.00035 0.06078 -0.02267 0.09619 1 24 6 -0.01513 -0.01418 0.04194 -0.02113 -0.01208 2 24 6 0.00531 0.00141 0.00783 -0.05151 -0.02062 3 24 6 -0.00658 0.00151 0.00155 -0.00007 -0.04141 1 25 6 0.00137 -0.01639 0.00822 -0.04668 -0.00131 2 25 6 0.00219 0.00229 0.00105 -0.03324 -0.06409 3 25 6 0.00184 0.00352 -0.03248 0.01794 -0.11318 1 26 6 0.00395 -0.00659 -0.00236 -0.03243 -0.03804 2 26 6 -0.00812 -0.00787 0.00209 -0.00021 0.01207 3 26 6 0.00649 -0.00566 -0.00458 0.01317 0.07561 1 27 6 0.00921 0.00548 -0.03772 0.05206 -0.01565 2 27 6 -0.02164 0.00109 0.04127 0.02087 0.05919 3 27 6 -0.00451 -0.00178 0.04817 0.00399 0.13508 1 28 1 -0.01238 0.00697 0.00643 0.04263 -0.02743 2 28 1 0.00044 0.00864 -0.00392 0.02041 -0.00658 3 28 1 -0.03207 0.00453 0.13781 -0.02769 0.17220 1 29 1 0.01226 -0.01915 0.00624 -0.05123 0.06587 2 29 1 0.00976 0.00850 0.00633 -0.04629 -0.02709 3 29 1 -0.00092 0.00689 -0.02931 0.01526 -0.13408 1 30 1 0.00528 -0.01507 0.01813 -0.09714 -0.06379 2 30 1 -0.00451 -0.00597 -0.01219 0.01594 0.02791 3 30 1 0.01710 -0.00787 -0.01994 -0.00311 0.09949 1 31 1 0.00788 0.01146 -0.01963 0.08872 0.07211 2 31 1 -0.02967 0.00817 0.07549 0.02278 0.07465 3 31 1 0.00762 -0.01298 -0.00483 -0.00247 0.10150 1 32 1 -0.02669 -0.00242 0.05851 0.04630 -0.02762 2 32 1 0.01247 0.00478 -0.03838 -0.03354 -0.13598 3 32 1 -0.00990 -0.00206 0.02827 -0.01632 0.03265 1 33 8 -0.00444 0.00508 0.01572 0.07088 0.03937 2 33 8 -0.01468 0.01908 0.08709 0.02707 0.15116 3 33 8 -0.02246 -0.00706 0.05372 -0.04606 0.00008 1 34 8 -0.01537 -0.01245 0.06260 -0.09004 0.00776 2 34 8 0.01079 -0.02448 -0.01012 -0.10216 -0.01538 3 34 8 -0.00017 -0.00042 0.02275 -0.08994 0.01904 1 35 8 -0.00449 -0.00300 0.01351 0.03738 0.13030 2 35 8 0.00243 0.01270 -0.04224 0.04467 -0.12376 3 35 8 0.00125 0.00441 -0.00504 -0.02482 -0.08543 1 36 1 -0.00423 -0.00083 0.00863 0.05276 0.14224 2 36 1 -0.01627 -0.01032 0.06153 -0.04211 0.01793 3 36 1 0.00849 0.03370 -0.08360 0.17018 0.00295 1 37 8 0.00841 0.01359 -0.04759 -0.01000 -0.13701 2 37 8 0.00227 -0.00502 -0.01030 0.00626 0.05251 3 37 8 -0.00084 -0.00439 -0.01799 0.02818 0.04507 1 38 1 0.02271 0.00921 -0.09645 -0.02803 -0.19269 2 38 1 -0.05071 0.03028 0.12463 0.08139 0.13073 3 38 1 0.05715 -0.01869 -0.22143 -0.03911 -0.20043 1 39 6 0.00024 0.00237 -0.01384 0.02309 -0.03072 2 39 6 0.00395 0.00030 -0.01969 0.00799 -0.02830 3 39 6 0.02159 -0.00205 -0.05124 -0.01688 -0.03717 1 40 8 -0.00226 0.00211 0.01715 -0.00938 0.03159 2 40 8 0.02105 -0.00311 -0.05425 -0.00905 -0.04626 3 40 8 0.00152 0.00208 -0.01392 0.00328 -0.01757 1 41 8 0.02569 -0.00069 -0.05738 -0.01332 -0.04161 2 41 8 -0.01932 0.00018 0.05575 -0.00004 0.05470 3 41 8 0.02039 -0.00094 -0.06209 -0.00174 -0.06096 1 42 6 -0.01052 0.00325 0.02796 0.00393 0.02818 2 42 6 0.01868 -0.00548 -0.05261 -0.00309 -0.05485 3 42 6 -0.00225 0.00165 0.01138 -0.00009 0.01642 1 43 1 -0.01274 0.00389 0.02104 0.01327 0.00864 2 43 1 0.02229 -0.00721 -0.04747 -0.00934 -0.04213 3 43 1 -0.00276 0.00166 0.00869 0.00361 0.00847 1 44 1 -0.00898 0.00368 0.02514 0.00098 0.02834 2 44 1 0.01312 -0.00635 -0.04511 0.00836 -0.05999 3 44 1 0.00051 0.00117 0.01025 -0.00787 0.02324 1 45 1 -0.01516 0.00208 0.03378 0.00993 0.02643 2 45 1 0.01825 -0.00419 -0.05655 -0.00135 -0.05960 3 45 1 -0.00183 -0.00056 0.01768 -0.00204 0.02325 1 46 6 0.00108 -0.02218 0.00120 0.00452 -0.00829 2 46 6 -0.00139 -0.00765 -0.01514 0.11200 0.00507 3 46 6 0.00126 -0.00587 0.00626 -0.05041 -0.00423 1 47 6 0.00342 -0.02927 0.00219 -0.00922 -0.00317 2 47 6 0.00164 -0.04149 0.00949 0.01382 0.00057 3 47 6 0.00009 -0.03122 0.01539 -0.03157 -0.00681 1 48 6 0.00062 -0.00872 -0.00299 0.02023 0.00002 2 48 6 -0.00574 0.01952 0.01634 -0.03995 0.00159 3 48 6 0.00230 -0.03315 0.00208 0.02147 -0.00016 1 49 6 -0.00468 0.01689 0.01194 -0.04983 -0.00728 2 49 6 -0.01021 0.06058 0.01138 -0.04464 0.00010 3 49 6 0.00075 0.03229 -0.02410 0.07502 0.01248 1 50 6 -0.00454 -0.01603 0.03725 -0.12638 -0.01162 2 50 6 0.00139 -0.01089 -0.00288 -0.03944 -0.01054 3 50 6 -0.00022 0.02004 -0.00525 0.00813 0.00930 1 51 1 0.00033 -0.07843 0.01885 0.01237 -0.01259 2 51 1 -0.00116 0.01644 -0.00862 0.01483 0.00102 3 51 1 0.00079 -0.03005 0.03659 -0.20277 -0.01590 1 52 1 0.00919 -0.05074 -0.01871 0.07649 0.00461 2 52 1 -0.00779 0.01431 0.02577 -0.05234 0.00000 3 52 1 0.00800 -0.10224 0.00850 0.05830 0.00315 1 53 1 -0.00016 0.00201 0.00029 -0.04851 -0.01427 2 53 1 -0.01069 0.07471 0.00715 -0.02329 0.00608 3 53 1 0.00445 0.05283 -0.04736 0.12366 0.01924 1 54 1 0.00508 -0.02581 0.01156 -0.12514 -0.02382 2 54 1 0.01064 -0.01879 -0.01911 -0.10783 -0.03243 3 54 1 -0.00331 0.02542 0.01313 -0.07338 0.00297 1 55 1 0.00532 -0.02210 0.00056 -0.05554 -0.00838 2 55 1 0.00273 -0.05786 0.00503 0.05063 0.00129 3 55 1 -0.00050 -0.04819 0.00942 0.05024 -0.00109 1 56 8 0.00346 0.02941 -0.00571 -0.09206 -0.01121 2 56 8 -0.00027 0.02531 -0.00573 -0.01154 -0.00508 3 56 8 0.00043 -0.02787 0.03572 -0.17134 -0.02018 1 57 8 0.00294 -0.07387 0.01815 0.01573 0.00214 2 57 8 0.00347 -0.01346 -0.00698 0.01481 -0.00090 3 57 8 0.00252 -0.03890 0.00560 0.01815 -0.00252 1 58 1 0.00579 0.69883 -0.28019 0.01814 0.03028 2 58 1 0.00468 -0.31542 0.10049 0.04569 -0.00873 3 58 1 0.00396 0.52800 -0.21071 0.01172 0.01753 1 59 8 0.00081 0.00471 -0.00963 0.02405 -0.00062 2 59 8 0.00075 0.01543 -0.00517 -0.00307 0.00473 3 59 8 0.00104 -0.01445 -0.00047 0.02164 0.00199 1 60 1 0.00193 0.03094 -0.02268 0.05235 0.01165 2 60 1 0.00999 -0.12027 -0.00589 -0.06953 -0.09157 3 60 1 -0.00210 0.01774 0.00397 0.03140 0.02644 1 61 8 -0.00174 0.05114 -0.01687 0.00621 0.00284 2 61 8 0.00019 -0.00191 -0.00150 0.02772 0.00604 3 61 8 -0.00927 0.08007 -0.00680 0.01482 0.00764 1 62 1 0.00111 -0.06985 0.04202 0.04973 0.04605 2 62 1 -0.00841 0.12128 -0.03645 -0.05021 -0.03498 3 62 1 -0.02140 0.12122 0.02213 -0.06798 -0.00188 1 63 6 0.00073 -0.00482 -0.02136 0.13523 0.00523 2 63 6 -0.00028 -0.02081 -0.01540 0.13953 0.00646 3 63 6 0.00232 -0.00217 -0.02348 0.11363 0.00718 1 64 8 -0.00176 0.01178 0.01804 -0.10547 -0.00156 2 64 8 0.00219 -0.00764 -0.02750 0.15396 0.00854 3 64 8 0.00256 -0.02197 -0.04670 0.29618 0.01523 1 65 8 0.00092 -0.00264 -0.02759 0.16602 0.00874 2 65 8 0.00049 0.00252 0.02016 -0.14000 -0.00290 3 65 8 -0.00003 -0.01086 0.02269 -0.12390 -0.01113 1 66 6 -0.00068 0.00632 0.00050 0.00156 0.00439 2 66 6 -0.00088 0.00761 0.00756 -0.04284 0.00092 3 66 6 -0.00145 0.00886 0.01121 -0.05723 0.00088 1 67 1 -0.00114 0.00746 0.00339 -0.01151 0.00457 2 67 1 -0.00150 0.00931 0.01598 -0.09019 -0.00095 3 67 1 -0.00234 0.01138 0.02485 -0.13547 -0.00238 1 68 1 -0.00355 0.02621 0.04184 -0.25194 -0.00640 2 68 1 -0.00272 0.02042 0.03145 -0.18509 -0.00453 3 68 1 -0.00351 0.02341 0.04082 -0.23857 -0.00689 1 69 1 0.00390 -0.02705 -0.06290 0.38670 0.02005 2 69 1 -0.00074 0.00381 0.00619 -0.03019 0.00137 3 69 1 -0.00231 0.01843 0.02215 -0.12893 -0.00187 1 70 19 -0.00018 0.00008 0.00215 -0.00671 -0.00244 2 70 19 0.00097 -0.00058 -0.00113 0.00104 -0.00450 3 70 19 0.00100 -0.00008 -0.00358 0.00103 -0.00371 61 62 63 64 65 A A A A A Frequencies --- 499.8352 508.2043 520.0238 541.5379 550.2887 Reduced masses --- 4.3435 1.2165 3.5797 1.8891 1.9914 Force constants --- 0.6394 0.1851 0.5704 0.3264 0.3553 IR Intensities --- 11.2649 204.0056 43.9913 54.1630 66.8506 Coord Atom Element: 1 1 6 0.01717 0.00153 -0.01081 0.00114 0.00764 2 1 6 0.02343 0.00253 -0.00860 0.00175 0.01146 3 1 6 -0.01557 -0.00120 -0.00108 0.00428 -0.02485 1 2 6 -0.06855 -0.00807 0.05262 -0.02330 0.01677 2 2 6 -0.04821 -0.00824 0.01414 -0.04174 -0.01682 3 2 6 0.03061 0.00553 -0.01294 0.00827 0.07426 1 3 6 0.00344 -0.00064 0.02186 -0.01723 0.03968 2 3 6 0.03890 0.00405 -0.01039 0.00120 0.03047 3 3 6 -0.08245 -0.00874 0.03318 -0.00861 -0.02834 1 4 6 0.06619 0.00561 -0.03186 -0.00093 0.02044 2 4 6 0.07672 0.00826 -0.02728 0.01498 0.02397 3 4 6 -0.02772 -0.00367 0.01308 0.00037 -0.05131 1 5 6 -0.07691 -0.00726 0.01551 -0.00083 -0.04361 2 5 6 -0.02493 -0.00211 0.01228 0.01320 -0.05852 3 5 6 0.04234 0.00396 -0.01590 0.00906 -0.01261 1 6 1 -0.11861 -0.01457 0.08400 -0.04553 -0.01126 2 6 1 0.13231 0.01434 -0.04547 0.01342 0.07908 3 6 1 -0.14151 -0.01580 0.07478 -0.03020 -0.04210 1 7 1 0.01768 0.00000 -0.01992 -0.00354 -0.01954 2 7 1 0.18723 0.01974 -0.05834 0.02262 0.08427 3 7 1 0.00347 -0.00094 0.00211 0.00358 -0.04520 1 8 1 -0.19731 -0.01919 0.06932 -0.00032 -0.10684 2 8 1 -0.09847 -0.00937 0.04530 0.01353 -0.09643 3 8 1 0.09727 0.01017 -0.04031 0.01954 0.01400 1 9 1 -0.11329 -0.01605 0.05296 -0.04248 -0.03397 2 9 1 -0.05726 -0.01010 0.01346 -0.04464 -0.02974 3 9 1 0.06596 0.00996 -0.01798 0.02045 0.10422 1 10 8 0.03286 0.00319 -0.02740 0.00367 0.00604 2 10 8 0.06267 0.00575 -0.03298 0.00020 0.01977 3 10 8 -0.02541 -0.00074 0.00365 -0.00099 0.06576 1 11 8 -0.04704 -0.00292 0.06253 0.00050 0.01619 2 11 8 -0.02690 -0.00678 -0.00900 -0.01876 -0.05002 3 11 8 0.09082 0.01075 -0.01619 0.03545 0.04388 1 12 8 -0.00874 -0.00125 -0.00019 0.00391 -0.02329 2 12 8 -0.07313 -0.00762 0.02125 -0.00670 -0.01393 3 12 8 -0.04000 -0.00393 0.01858 0.00104 -0.02731 1 13 1 0.03759 0.00676 -0.01138 0.02300 -0.05503 2 13 1 -0.00325 0.00436 0.02904 -0.00722 0.01686 3 13 1 -0.08666 -0.01195 0.03416 -0.02240 0.01567 1 14 8 0.05228 0.00409 -0.02791 0.00172 -0.01699 2 14 8 -0.04348 -0.00478 0.02309 -0.01205 0.01288 3 14 8 0.05739 0.00477 -0.02457 -0.00145 0.01114 1 15 1 0.09284 0.00725 -0.05517 -0.00144 0.03226 2 15 1 0.16161 0.01795 -0.03055 0.01722 0.02069 3 15 1 0.21545 0.02103 -0.08182 0.01247 0.06423 1 16 6 0.02623 0.00228 -0.00905 0.00533 0.00160 2 16 6 -0.00734 -0.00004 0.00400 -0.00333 0.01946 3 16 6 -0.01783 -0.00096 0.00401 0.01168 -0.04323 1 17 8 0.00163 0.00012 0.00184 -0.00073 0.00809 2 17 8 -0.04399 -0.00377 0.01535 -0.00299 -0.02233 3 17 8 -0.03863 -0.00339 0.01442 -0.00614 -0.00600 1 18 8 0.02130 0.00238 -0.00973 0.00624 -0.00111 2 18 8 0.01442 0.00166 0.00228 0.01182 -0.00913 3 18 8 0.01428 0.00176 0.00310 0.00721 0.01419 1 19 6 -0.01248 -0.00159 0.00811 -0.00482 0.00931 2 19 6 0.00449 0.00009 -0.00080 -0.00039 0.00255 3 19 6 0.00657 0.00039 -0.00274 -0.00046 0.00356 1 20 1 -0.01439 -0.00140 0.00907 -0.00259 0.00579 2 20 1 0.01666 0.00137 -0.00512 0.00279 0.00652 3 20 1 0.01660 0.00121 -0.00652 0.00045 0.00843 1 21 1 -0.06682 -0.00590 0.02750 -0.00849 -0.01409 2 21 1 0.00203 -0.00012 0.00013 -0.00043 0.00139 3 21 1 0.03683 0.00313 -0.01362 0.00290 0.01386 1 22 1 0.03457 0.00271 -0.00958 0.00249 0.02335 2 22 1 0.05036 0.00423 -0.01748 0.00517 0.01727 3 22 1 0.01236 0.00089 -0.00508 0.00059 0.00523 1 23 6 -0.03387 0.00780 0.01040 0.07659 0.05997 2 23 6 0.00473 0.00817 0.01396 -0.00046 0.00980 3 23 6 0.00917 0.00415 -0.00264 -0.05413 -0.04882 1 24 6 0.04159 -0.00342 -0.08888 -0.01323 -0.01228 2 24 6 0.03109 -0.00436 -0.00924 -0.03977 -0.03589 3 24 6 0.01688 0.02793 -0.02026 0.05371 0.03142 1 25 6 -0.05908 -0.01530 -0.05160 -0.04819 -0.06169 2 25 6 0.09034 -0.01388 -0.04304 -0.06085 -0.04983 3 25 6 0.07186 0.01808 -0.02856 0.04283 0.01559 1 26 6 -0.00620 -0.01269 -0.04432 -0.05331 -0.06642 2 26 6 -0.03637 -0.01220 -0.02119 0.01156 0.03145 3 26 6 -0.11122 -0.00681 0.04547 -0.00740 -0.02371 1 27 6 -0.07538 -0.00170 0.05261 0.02215 0.00731 2 27 6 -0.01398 0.00505 -0.01581 0.02394 0.02084 3 27 6 -0.07037 -0.00247 0.02500 -0.03041 -0.03463 1 28 1 -0.01691 -0.00130 0.02401 0.05061 0.04351 2 28 1 -0.00216 -0.00844 0.04112 -0.02476 -0.00560 3 28 1 0.03403 0.00821 -0.01242 -0.06181 -0.05381 1 29 1 -0.16615 -0.03208 -0.00521 -0.09897 -0.12740 2 29 1 0.08567 -0.02402 -0.00741 -0.11686 -0.09299 3 29 1 0.12305 0.02288 -0.04012 0.04852 0.03127 1 30 1 0.03853 -0.03061 -0.10234 -0.15414 -0.14077 2 30 1 -0.06063 -0.00779 0.00758 0.02857 0.05780 3 30 1 -0.13277 -0.01088 0.07061 -0.04737 -0.03163 1 31 1 -0.11720 0.00349 0.09032 0.02510 0.03953 2 31 1 0.03347 0.01464 -0.02380 0.01172 0.01207 3 31 1 -0.13704 -0.01729 0.03146 -0.01072 -0.02828 1 32 1 0.14787 -0.00069 -0.08479 -0.03373 -0.02830 2 32 1 0.11873 -0.00350 -0.04108 -0.03621 -0.04328 3 32 1 -0.05088 0.02673 -0.00288 0.05417 0.03963 1 33 8 -0.01791 0.02692 -0.01553 0.05655 0.04789 2 33 8 -0.00380 0.00655 0.05460 -0.05745 -0.03822 3 33 8 0.03987 -0.00240 -0.03512 -0.02168 -0.01817 1 34 8 0.06143 -0.00417 -0.05366 -0.06276 -0.04451 2 34 8 -0.09801 0.00329 -0.03783 0.06326 0.04640 3 34 8 -0.02426 0.01058 0.00422 -0.03959 -0.02981 1 35 8 -0.11937 -0.00845 0.05123 0.01067 0.02213 2 35 8 0.12587 0.00954 -0.02293 0.02636 0.01317 3 35 8 0.10045 0.00924 -0.03351 -0.01028 -0.01454 1 36 1 -0.12928 -0.00888 0.06232 0.01764 0.03303 2 36 1 0.06106 0.02090 0.02235 0.04161 0.01870 3 36 1 0.02677 -0.00818 0.07588 0.06695 0.10398 1 37 8 0.15784 0.01607 -0.02466 0.03048 -0.02447 2 37 8 -0.07393 -0.00620 0.02919 -0.01896 0.03589 3 37 8 -0.08026 -0.00807 0.02929 0.06408 0.02038 1 38 1 0.16775 0.01490 -0.01986 -0.13715 0.13684 2 38 1 0.07504 0.02733 0.01782 0.64633 -0.51893 3 38 1 -0.02075 -0.00758 0.05794 -0.60728 0.68711 1 39 6 0.00534 0.00279 -0.01211 0.06012 0.04998 2 39 6 0.00004 0.00031 -0.00300 0.02509 0.02405 3 39 6 -0.00794 -0.01004 0.01372 -0.02362 -0.02012 1 40 8 0.00368 -0.00174 0.00929 -0.02693 -0.02107 2 40 8 -0.01185 -0.00842 0.00901 -0.00099 -0.00369 3 40 8 0.00286 -0.00292 0.00451 0.00745 0.00900 1 41 8 -0.00376 -0.01130 0.01472 -0.01816 -0.01330 2 41 8 -0.00288 0.00724 -0.00369 -0.00884 -0.01014 3 41 8 -0.00566 -0.00787 0.00602 0.01500 0.01230 1 42 6 0.00861 0.00224 0.00097 -0.00837 -0.00259 2 42 6 -0.01533 -0.00380 -0.00107 0.01575 0.00680 3 42 6 0.00566 0.00000 0.00129 -0.00820 -0.00439 1 43 1 0.00883 0.00363 -0.00241 0.01114 0.01479 2 43 1 -0.01801 -0.00350 -0.00226 0.00366 -0.00560 3 43 1 0.00529 0.00084 -0.00076 0.00000 0.00245 1 44 1 0.00830 0.00088 0.00489 -0.01401 -0.00683 2 44 1 -0.01412 0.00082 -0.01279 0.03728 0.02415 3 44 1 0.00409 -0.00178 0.00532 -0.02222 -0.01689 1 45 1 0.00753 0.00626 -0.00752 0.00557 0.00675 2 45 1 -0.01333 -0.00545 0.00182 0.01766 0.00991 3 45 1 0.00227 0.00278 -0.00422 -0.00960 -0.00832 1 46 6 0.00298 0.00609 -0.02662 0.01718 0.01949 2 46 6 0.03682 -0.00835 0.02421 0.00585 0.00674 3 46 6 -0.00489 0.00258 0.03513 0.00859 0.00303 1 47 6 -0.04249 0.00710 -0.07339 0.01072 0.01172 2 47 6 -0.01740 0.01926 -0.04097 -0.00973 -0.00763 3 47 6 0.00691 -0.00451 -0.00251 0.00638 0.00520 1 48 6 0.01344 -0.00894 0.04086 0.00772 0.00441 2 48 6 0.03650 0.01651 0.05942 -0.01449 -0.01096 3 48 6 -0.04757 0.00495 -0.12873 -0.00225 0.00178 1 49 6 0.03602 -0.00486 0.02924 0.00026 0.00005 2 49 6 0.06645 0.00475 0.10341 -0.00779 -0.00607 3 49 6 -0.01636 -0.02876 -0.03287 -0.00421 -0.00381 1 50 6 0.02890 -0.00364 0.00048 -0.00110 0.00136 2 50 6 -0.03976 0.00720 -0.02950 0.05302 0.04350 3 50 6 0.01384 -0.01104 0.06186 -0.00751 -0.00747 1 51 1 -0.00312 0.02126 -0.09095 0.02940 0.03750 2 51 1 0.01593 -0.01145 0.03992 0.01086 0.00475 3 51 1 -0.05106 0.01579 -0.02483 0.03201 0.02238 1 52 1 -0.05424 -0.03994 -0.08182 0.02028 0.01424 2 52 1 0.05051 0.03257 0.07700 -0.02101 -0.01562 3 52 1 -0.10094 0.00422 -0.25318 -0.00572 0.00092 1 53 1 -0.03279 -0.01684 -0.13008 0.02416 0.02224 2 53 1 0.08817 0.01457 0.17381 -0.02342 -0.02017 3 53 1 -0.04449 -0.02954 -0.06054 -0.01281 -0.01083 1 54 1 -0.02090 -0.01646 -0.00910 0.04677 0.03522 2 54 1 -0.09522 0.01091 -0.02071 0.11171 0.08671 3 54 1 0.01938 0.01189 0.08799 -0.00493 -0.00314 1 55 1 -0.07985 0.01225 -0.13685 0.02106 0.02316 2 55 1 -0.03378 0.01662 -0.08933 -0.00641 -0.00389 3 55 1 0.02219 -0.01233 0.00313 0.00059 -0.00108 1 56 8 -0.01818 -0.01162 0.02126 0.02373 0.01839 2 56 8 0.05978 -0.02701 0.14337 0.00715 -0.00109 3 56 8 0.02114 -0.00636 0.08228 0.02483 0.01815 1 57 8 -0.03995 0.02429 -0.08294 -0.00850 -0.00515 2 57 8 -0.03551 0.01521 -0.06158 0.00054 0.00189 3 57 8 0.02180 -0.00940 0.05347 0.00561 0.00203 1 58 1 -0.34065 0.04287 -0.53762 -0.01811 0.00072 2 58 1 0.12401 -0.05923 0.21571 0.02562 0.01305 3 58 1 -0.20855 0.01937 -0.30441 -0.00670 0.00295 1 59 8 0.02878 0.00691 0.11837 0.01096 0.00465 2 59 8 -0.03432 -0.03573 -0.11088 -0.00032 0.00233 3 59 8 -0.03668 0.03514 -0.08134 -0.01290 -0.00660 1 60 1 0.01285 -0.03392 0.08430 0.01104 0.00507 2 60 1 -0.12080 0.66283 0.09732 -0.05528 -0.03658 3 60 1 -0.00640 -0.15881 -0.13432 0.00330 0.00478 1 61 8 0.00396 0.02931 0.05567 -0.00461 -0.00419 2 61 8 0.00572 -0.04748 -0.02738 0.00161 0.00177 3 61 8 0.05423 -0.02305 0.06203 -0.01134 -0.00914 1 62 1 0.11640 -0.55737 -0.11774 0.09109 0.06563 2 62 1 -0.03900 0.42835 0.16626 -0.07809 -0.05711 3 62 1 0.15341 -0.05810 0.15797 -0.00900 -0.00847 1 63 6 0.02087 0.00212 -0.01284 -0.01156 -0.00747 2 63 6 0.03612 -0.00062 0.00633 -0.00469 0.00135 3 63 6 0.00098 0.00711 -0.00396 -0.01486 -0.01672 1 64 8 -0.00839 -0.00563 0.02690 0.00738 0.00315 2 64 8 0.01063 0.00607 -0.01463 -0.01667 -0.01448 3 64 8 0.03794 0.00854 -0.01310 -0.02851 -0.02320 1 65 8 0.02063 0.00312 -0.01290 -0.01737 -0.01312 2 65 8 -0.04307 0.00398 -0.03020 0.01316 0.01375 3 65 8 -0.02561 0.00385 -0.04852 0.01510 0.01957 1 66 6 0.01165 -0.00395 0.04820 -0.00435 -0.01031 2 66 6 -0.00962 0.00044 -0.00052 -0.00007 -0.00158 3 66 6 -0.00553 -0.00189 0.01290 -0.00054 -0.00259 1 67 1 0.00773 -0.00342 0.04099 -0.00375 -0.00902 2 67 1 -0.01683 -0.00077 -0.00154 0.00487 0.00262 3 67 1 -0.01740 -0.00441 0.01269 0.00791 0.00443 1 68 1 -0.02064 -0.01192 0.06155 0.01901 0.00888 2 68 1 -0.02622 -0.00312 0.01039 0.01050 0.00606 3 68 1 -0.02764 -0.00771 0.02459 0.01593 0.01070 1 69 1 0.05470 0.00790 0.00729 -0.03700 -0.03330 2 69 1 -0.00916 0.00119 -0.00449 -0.00034 -0.00156 3 69 1 -0.01246 -0.00467 0.02333 0.00452 0.00081 1 70 19 -0.00208 -0.00023 0.00174 -0.00594 0.00370 2 70 19 -0.00011 -0.00040 -0.00185 -0.00251 0.00439 3 70 19 0.00016 -0.00017 -0.00115 0.00205 0.00136 66 67 68 69 70 A A A A A Frequencies --- 572.2332 578.8416 589.0689 600.5376 619.3889 Reduced masses --- 6.2805 5.8378 5.5205 4.3134 5.4874 Force constants --- 1.2117 1.1524 1.1287 0.9165 1.2404 IR Intensities --- 39.4453 60.1649 19.3063 26.4474 15.3206 Coord Atom Element: 1 1 6 0.00720 -0.01936 -0.08853 0.00816 -0.09445 2 1 6 0.01219 -0.01739 -0.09884 0.01279 0.00154 3 1 6 -0.01836 -0.03775 -0.13157 0.01636 0.07847 1 2 6 -0.01300 0.06135 0.01829 0.06588 0.06707 2 2 6 -0.05832 -0.03527 -0.03258 0.00443 0.16238 3 2 6 0.06950 0.01929 -0.01969 0.00587 0.13269 1 3 6 0.00790 0.05153 0.00009 0.06188 0.13090 2 3 6 0.02509 0.01808 0.04242 -0.00270 0.05731 3 3 6 -0.02539 0.02459 0.09701 -0.00436 -0.04081 1 4 6 0.01828 -0.00125 0.09335 -0.03797 0.03629 2 4 6 0.03644 0.00056 -0.04521 0.00550 -0.01426 3 4 6 -0.04537 -0.02693 -0.10704 0.02435 -0.11690 1 5 6 -0.03424 -0.03206 -0.09125 0.00948 -0.02338 2 5 6 -0.03538 -0.02596 -0.16178 0.03996 -0.14164 3 5 6 -0.00576 -0.03509 -0.15424 0.02225 -0.03838 1 6 1 -0.07076 0.06530 -0.01848 0.11155 0.11960 2 6 1 0.08124 0.03678 0.11526 -0.02766 0.11088 3 6 1 -0.06486 0.06082 0.15177 0.02979 -0.00855 1 7 1 -0.01651 -0.01922 0.12390 -0.06090 -0.04985 2 7 1 0.08675 0.00745 -0.13197 0.03539 0.10905 3 7 1 -0.04058 -0.03798 -0.13749 0.02349 -0.10898 1 8 1 -0.09703 -0.06205 -0.35396 0.09795 0.02054 2 8 1 -0.07311 -0.04386 -0.32235 0.09433 -0.11123 3 8 1 0.03310 -0.02291 -0.11982 0.00677 -0.13286 1 9 1 -0.04082 0.03627 0.01555 0.05167 0.11731 2 9 1 -0.06234 -0.04313 -0.05698 0.00796 0.20866 3 9 1 0.10022 0.02752 -0.10811 0.03880 0.21359 1 10 8 0.00978 -0.01581 -0.00523 -0.01709 -0.09963 2 10 8 0.01208 -0.03132 -0.06461 -0.00934 0.02264 3 10 8 0.05209 0.00080 -0.08824 0.02224 0.28662 1 11 8 -0.01325 0.06854 -0.00637 0.07170 -0.03024 2 11 8 -0.03928 -0.04101 0.00796 -0.03061 0.00994 3 11 8 0.04819 0.03701 0.00421 0.01369 -0.19656 1 12 8 -0.01277 -0.01111 -0.01140 -0.00496 -0.04860 2 12 8 -0.01027 0.02351 0.15195 -0.03109 -0.02320 3 12 8 -0.01436 0.02536 0.13133 -0.02257 -0.06742 1 13 1 -0.01462 -0.02299 -0.01249 -0.02600 -0.14927 2 13 1 0.01354 0.06750 0.13132 0.01759 0.09663 3 13 1 -0.00878 0.04770 0.13299 0.01038 0.07241 1 14 8 -0.01118 -0.02617 0.02815 -0.03298 -0.04782 2 14 8 -0.00119 0.02677 0.05561 0.00802 0.02978 3 14 8 0.00833 -0.00114 0.08447 -0.03297 -0.00294 1 15 1 0.03336 -0.00883 0.17426 -0.08147 0.01876 2 15 1 0.02046 -0.00073 -0.07572 0.02452 0.06326 3 15 1 0.06479 0.00069 0.15090 -0.06994 0.08323 1 16 6 0.00503 -0.01574 -0.07268 0.00911 0.06503 2 16 6 0.01188 -0.00080 -0.04114 0.01063 0.04617 3 16 6 -0.02154 -0.02027 -0.08637 0.01267 -0.06715 1 17 8 0.00584 0.02071 0.09181 -0.01313 0.01612 2 17 8 -0.01690 0.00168 -0.00674 0.00529 -0.11851 3 17 8 -0.00792 0.00890 0.01938 0.00185 -0.08903 1 18 8 0.00241 -0.03480 -0.16587 0.02425 0.07292 2 18 8 -0.00210 0.02401 0.10255 -0.01161 0.02042 3 18 8 0.01743 0.04208 0.16210 -0.02059 0.06084 1 19 6 0.00617 0.04586 0.21407 -0.03263 -0.01851 2 19 6 0.00210 0.00747 0.03706 -0.00634 -0.00353 3 19 6 0.00107 -0.00597 -0.02477 0.00323 0.00915 1 20 1 0.00468 0.04402 0.19932 -0.02907 -0.02329 2 20 1 0.00726 0.00445 0.02314 -0.00494 0.04772 3 20 1 0.00540 -0.00782 -0.02896 0.00258 0.04998 1 21 1 -0.01242 0.05197 0.22050 -0.02746 -0.16462 2 21 1 0.00113 0.00755 0.03666 -0.00588 -0.00591 3 21 1 0.01066 -0.01113 -0.04156 0.00275 0.06609 1 22 1 0.01914 0.02644 0.13739 -0.02469 0.12156 2 22 1 0.01468 -0.00550 -0.01004 -0.00323 0.09610 3 22 1 0.00265 -0.00978 -0.04024 0.00515 0.03504 1 23 6 0.01227 -0.03068 -0.02293 -0.01621 -0.00768 2 23 6 0.01439 0.02091 -0.00518 0.00335 -0.02461 3 23 6 -0.17135 -0.06664 0.04082 0.01223 0.03972 1 24 6 0.00264 -0.04869 0.01509 -0.02360 0.00902 2 24 6 -0.00190 -0.01107 0.00236 -0.00789 0.01975 3 24 6 -0.08694 -0.10445 0.01062 -0.04228 -0.01254 1 25 6 0.10665 -0.07216 -0.02454 -0.13752 -0.00139 2 25 6 0.09540 0.03325 -0.00644 -0.01635 0.00529 3 25 6 -0.08705 -0.07549 0.00816 -0.02741 -0.00490 1 26 6 0.10863 -0.04595 -0.02725 -0.12100 -0.01657 2 26 6 0.25096 0.08668 -0.03565 -0.02943 -0.06209 3 26 6 -0.09361 -0.03790 0.00220 -0.00547 0.03781 1 27 6 0.01798 0.03285 -0.02497 0.01754 0.02306 2 27 6 0.08559 -0.00156 -0.00670 -0.05013 -0.05073 3 27 6 -0.12739 -0.06009 0.01947 -0.01261 0.01759 1 28 1 0.04269 0.02374 -0.03322 0.01808 0.00940 2 28 1 0.06805 0.10549 -0.02349 0.05767 0.01198 3 28 1 -0.18703 -0.08138 0.04649 0.00322 0.02811 1 29 1 0.09989 -0.08909 -0.04473 -0.19062 0.02811 2 29 1 0.11844 0.09073 -0.01255 0.00600 0.02545 3 29 1 -0.07986 -0.05193 0.01643 0.00395 -0.01148 1 30 1 0.14964 -0.07950 -0.02726 -0.17937 0.01417 2 30 1 0.19860 0.08889 -0.03196 0.00047 -0.06519 3 30 1 -0.22428 -0.07016 0.01865 0.02702 0.06735 1 31 1 0.02436 0.07371 -0.02824 0.05370 0.03655 2 31 1 -0.00622 -0.04408 0.00946 -0.05044 -0.05644 3 31 1 0.01326 -0.00268 -0.00558 -0.02055 0.02614 1 32 1 -0.09255 -0.00729 0.02178 0.00791 0.02546 2 32 1 0.01054 0.01315 -0.00391 -0.02376 0.01608 3 32 1 -0.08900 -0.12561 0.01298 -0.03994 -0.01328 1 33 8 -0.19492 -0.15624 0.02551 -0.04041 -0.00402 2 33 8 -0.13287 -0.00020 0.01516 0.03970 0.03170 3 33 8 0.05630 0.02789 -0.00144 0.00858 0.00360 1 34 8 0.05906 0.07406 0.01741 0.07792 0.03223 2 34 8 -0.00320 -0.12795 0.01370 -0.03856 -0.00693 3 34 8 0.08519 0.02739 -0.00218 0.01576 0.00478 1 35 8 0.02098 0.03807 -0.00610 0.01923 -0.00245 2 35 8 -0.07384 -0.02263 0.01485 0.02117 0.00044 3 35 8 -0.01058 -0.01333 0.00778 -0.00134 0.00153 1 36 1 0.01012 0.04715 -0.00446 0.03582 -0.00363 2 36 1 -0.01217 0.08849 0.01422 0.09062 0.00633 3 36 1 -0.15941 0.06123 0.02820 0.17005 -0.01146 1 37 8 -0.07391 -0.00800 0.02345 0.02956 0.02024 2 37 8 0.01550 0.01230 -0.01258 0.00534 -0.02401 3 37 8 0.14467 0.09741 -0.01558 0.03080 -0.01237 1 38 1 -0.15120 -0.07294 -0.00309 0.02271 -0.07290 2 38 1 0.06566 0.24984 0.14046 0.17035 0.41315 3 38 1 -0.21480 -0.16261 -0.11500 0.03456 -0.37189 1 39 6 0.08165 -0.00995 -0.02006 -0.03796 -0.04521 2 39 6 0.06964 0.01676 -0.01477 -0.01587 -0.03059 3 39 6 -0.00293 0.02220 0.00393 0.01847 0.02243 1 40 8 -0.01455 0.01652 0.00620 0.01492 0.01115 2 40 8 0.02407 0.02029 -0.00542 0.00648 0.00400 3 40 8 0.07200 0.03611 -0.01321 -0.00340 -0.01734 1 41 8 0.03569 0.04108 -0.00282 0.01512 0.00586 2 41 8 -0.08978 -0.04497 0.01526 0.00321 0.01979 3 41 8 0.06330 0.02401 -0.01226 -0.00569 -0.00861 1 42 6 0.01047 0.01155 -0.00068 0.00193 -0.00683 2 42 6 -0.01142 -0.01681 -0.00136 -0.00344 0.00842 3 42 6 0.00416 0.00839 0.00035 0.00280 -0.00329 1 43 1 0.05526 0.01991 -0.01080 -0.00922 -0.02423 2 43 1 -0.07647 -0.04535 0.01110 0.00261 0.02795 3 43 1 0.01566 0.00740 -0.00252 -0.00200 -0.00869 1 44 1 0.02269 0.02477 -0.00216 0.00568 -0.00726 2 44 1 -0.02936 -0.04954 -0.00082 -0.01748 0.00363 3 44 1 -0.01768 0.00886 0.00609 0.01134 0.00733 1 45 1 -0.01733 -0.01932 0.00159 -0.00689 -0.00569 2 45 1 0.02804 0.00556 -0.00873 -0.00383 -0.00205 3 45 1 -0.06182 -0.03075 0.01202 0.00252 0.01351 1 46 6 -0.11944 0.17915 -0.03808 -0.02371 -0.00940 2 46 6 -0.03479 0.04858 -0.00490 0.02105 -0.00699 3 46 6 0.06397 -0.12408 0.03271 0.04773 -0.00096 1 47 6 -0.04150 0.04625 -0.01297 -0.02918 -0.00219 2 47 6 0.03753 -0.04676 0.03006 0.11214 -0.01372 3 47 6 -0.00833 -0.00490 0.02104 0.12913 -0.03200 1 48 6 0.00964 -0.03298 0.01148 0.05972 -0.02417 2 48 6 -0.00625 0.04464 0.00022 0.06977 -0.01956 3 48 6 -0.01320 0.01325 0.01007 0.03867 0.00225 1 49 6 -0.00846 0.01098 0.01857 0.07723 0.01733 2 49 6 -0.02191 0.05270 -0.01101 0.00751 -0.00531 3 49 6 0.00849 -0.01165 -0.01649 -0.08908 0.00333 1 50 6 -0.02707 0.06096 0.01539 0.09067 0.02062 2 50 6 -0.03622 -0.07821 0.02032 0.00603 0.00054 3 50 6 0.02415 0.01005 -0.01796 -0.04828 -0.01385 1 51 1 -0.23255 0.34760 -0.04594 0.13064 -0.06343 2 51 1 0.06791 -0.14300 0.03088 -0.03693 0.04584 3 51 1 0.09167 -0.22819 0.08051 0.13679 0.02097 1 52 1 0.03374 -0.11184 0.02887 0.06261 -0.02616 2 52 1 -0.01108 0.07003 -0.00157 0.08178 -0.01728 3 52 1 -0.00252 -0.00665 0.02664 0.07703 0.00929 1 53 1 -0.02497 -0.03865 0.04349 0.08706 0.04849 2 53 1 -0.00435 0.07444 -0.02945 -0.02841 -0.01792 3 53 1 0.02818 -0.01771 -0.02928 -0.15491 0.00926 1 54 1 -0.05484 -0.02810 0.02280 0.06197 0.01736 2 54 1 -0.08484 -0.13582 0.01399 -0.04403 -0.01783 3 54 1 -0.00062 0.06979 -0.03613 -0.06669 -0.03146 1 55 1 -0.08565 0.09723 -0.02128 -0.02726 -0.00678 2 55 1 0.03775 -0.06407 0.04329 0.16800 -0.02784 3 55 1 0.03195 -0.07097 0.04224 0.18306 -0.04217 1 56 8 -0.05240 0.04707 -0.03873 -0.16442 0.02397 2 56 8 0.03365 -0.06778 -0.00482 -0.07532 0.01244 3 56 8 -0.02410 -0.00147 0.01646 0.13587 -0.04636 1 57 8 0.02829 -0.03349 0.02428 0.08343 -0.00758 2 57 8 -0.00228 0.00245 0.00372 0.01305 -0.00012 3 57 8 -0.00083 -0.00132 -0.02005 -0.11537 0.02333 1 58 1 0.01145 -0.04435 0.06508 0.28803 -0.05147 2 58 1 -0.04281 0.05482 -0.08623 -0.44003 0.08625 3 58 1 -0.00129 -0.02191 0.02847 0.12794 -0.02601 1 59 8 0.02037 -0.04937 -0.00335 -0.01286 -0.02443 2 59 8 -0.01819 0.01824 0.00324 -0.00131 0.01665 3 59 8 -0.01657 0.05528 -0.01778 -0.07798 0.02795 1 60 1 0.00954 -0.02891 -0.02967 -0.15897 0.00936 2 60 1 0.05586 0.12263 -0.05007 -0.19750 0.05188 3 60 1 -0.03506 0.01761 0.00756 0.03270 0.00581 1 61 8 0.01710 0.00246 -0.01427 -0.05818 0.00150 2 61 8 -0.02172 0.01526 -0.00405 -0.00921 0.00319 3 61 8 -0.01908 0.04255 -0.02099 -0.06750 0.01227 1 62 1 -0.21281 -0.05136 0.01876 0.02101 0.00868 2 62 1 0.14788 0.08766 -0.02657 -0.03265 0.00321 3 62 1 -0.06754 0.09680 -0.00948 0.02417 0.02391 1 63 6 -0.04332 0.08990 -0.02510 -0.02961 -0.00743 2 63 6 -0.08899 0.16531 -0.03014 0.04925 -0.04335 3 63 6 0.10131 -0.15359 0.03591 0.00158 0.02992 1 64 8 0.03580 -0.06751 0.01659 0.02094 0.00051 2 64 8 0.04001 -0.04802 0.01218 0.00286 0.01277 3 64 8 0.03033 -0.01363 0.00988 0.03706 0.00009 1 65 8 -0.00940 0.03685 -0.01382 -0.03159 0.00274 2 65 8 -0.03413 0.04813 -0.01598 -0.05040 0.01071 3 65 8 -0.13137 0.21002 -0.05247 -0.05854 -0.01208 1 66 6 0.10927 -0.17657 0.04945 0.07597 0.00616 2 66 6 0.02400 -0.03761 0.00961 0.00824 0.00389 3 66 6 0.03773 -0.06054 0.01661 0.02538 0.00182 1 67 1 0.09680 -0.15655 0.04393 0.06934 0.00505 2 67 1 0.01708 -0.03242 0.00805 0.00597 0.00276 3 67 1 0.03065 -0.05982 0.01616 0.02347 0.00057 1 68 1 0.09053 -0.17611 0.04556 0.06022 0.00339 2 68 1 0.02711 -0.05459 0.01321 0.01222 0.00219 3 68 1 0.02645 -0.06310 0.01462 0.01551 -0.00021 1 69 1 0.08990 -0.10503 0.03558 0.07411 0.00675 2 69 1 0.02233 -0.03479 0.00995 0.01219 0.00331 3 69 1 0.04119 -0.07222 0.01753 0.02003 0.00228 1 70 19 0.00216 -0.00206 0.00372 -0.00009 -0.00361 2 70 19 -0.00021 -0.00271 0.00018 -0.00142 -0.00343 3 70 19 -0.00306 -0.00425 -0.00225 0.00005 0.00018 71 72 73 74 75 A A A A A Frequencies --- 623.0292 641.3590 665.9836 676.5035 691.1433 Reduced masses --- 4.8277 7.5304 5.4044 6.7717 5.2819 Force constants --- 1.1041 1.8250 1.4123 1.8260 1.4865 IR Intensities --- 6.2651 9.2022 5.7828 43.9404 25.1328 Coord Atom Element: 1 1 6 -0.02382 0.33633 0.00279 0.00390 -0.08824 2 1 6 -0.00252 0.16373 0.00206 0.00131 -0.01769 3 1 6 0.02241 -0.19806 0.02829 -0.01385 0.09535 1 2 6 -0.07159 0.02811 -0.11566 0.03366 -0.11704 2 2 6 0.04516 -0.04256 0.06115 -0.02527 0.07539 3 2 6 0.02377 -0.07085 -0.03002 0.01301 -0.04184 1 3 6 -0.05533 0.02627 -0.12438 0.03759 -0.14065 2 3 6 0.00944 0.08444 0.00380 -0.00253 0.01654 3 3 6 -0.01686 0.00285 -0.01022 0.00211 0.00579 1 4 6 0.04087 0.02528 0.03931 -0.01344 0.07702 2 4 6 -0.01067 0.00996 -0.05098 0.02082 -0.10954 3 4 6 -0.04313 -0.01553 -0.02601 0.01146 -0.11311 1 5 6 -0.00001 -0.07745 0.02841 -0.01101 0.04155 2 5 6 -0.06336 -0.20964 -0.08034 0.02957 -0.14858 3 5 6 -0.01655 0.02901 -0.01316 0.00650 -0.07085 1 6 1 -0.11267 0.00950 -0.15017 0.04020 -0.15679 2 6 1 0.03862 0.16135 0.00764 -0.00300 0.05279 3 6 1 -0.05783 0.05741 -0.03457 0.00369 0.02790 1 7 1 0.05115 0.00518 0.09914 -0.03254 0.13337 2 7 1 -0.01456 0.15262 -0.10943 0.04266 -0.23642 3 7 1 -0.03586 0.05772 -0.01378 0.00966 -0.14751 1 8 1 -0.05885 -0.22306 -0.05061 0.01441 -0.18018 2 8 1 -0.09884 -0.29653 -0.12899 0.04520 -0.28296 3 8 1 -0.03246 0.09649 -0.05403 0.02602 -0.17481 1 9 1 -0.04756 0.02004 -0.15517 0.05011 -0.21893 2 9 1 0.05295 -0.08598 0.03337 -0.01548 0.02895 3 9 1 0.01288 -0.23447 -0.09008 0.02983 -0.08017 1 10 8 -0.00715 -0.06864 -0.00936 0.00618 -0.04619 2 10 8 0.02617 -0.21097 0.01458 -0.00665 0.04488 3 10 8 0.05465 0.05704 -0.02358 0.01085 -0.08752 1 11 8 -0.08287 -0.01905 0.00857 -0.00932 0.06855 2 11 8 0.03967 0.01860 0.03963 -0.00952 -0.00559 3 11 8 -0.06273 -0.04909 0.01942 -0.00710 0.04151 1 12 8 -0.00366 -0.00418 0.00415 -0.00088 -0.00483 2 12 8 0.01498 0.04551 0.03990 -0.01521 0.09575 3 12 8 -0.00382 0.07475 0.02868 -0.01145 0.07847 1 13 1 0.00322 0.02092 0.05238 -0.01531 0.06430 2 13 1 -0.02141 0.03552 -0.06183 0.01722 -0.01205 3 13 1 -0.01827 0.04553 -0.04526 0.01078 -0.01967 1 14 8 0.02536 0.03283 0.04555 -0.01225 0.02222 2 14 8 -0.00992 0.01037 -0.01702 0.00406 -0.00251 3 14 8 0.02719 0.03599 0.03302 -0.00939 0.03244 1 15 1 0.07966 0.05117 0.08543 -0.02677 0.12567 2 15 1 -0.00625 0.07692 -0.01846 0.00579 -0.02905 3 15 1 0.08169 0.09170 0.06969 -0.02217 0.11775 1 16 6 0.01727 -0.03850 0.02961 -0.01561 0.13564 2 16 6 0.00396 0.29256 0.01672 -0.00422 -0.00143 3 16 6 -0.01654 -0.14397 0.02076 -0.01280 0.15035 1 17 8 0.00632 -0.07260 -0.01272 0.00581 -0.03916 2 17 8 -0.03404 0.11834 0.00183 -0.00139 0.02331 3 17 8 -0.02723 0.18009 -0.00246 0.00181 -0.02132 1 18 8 0.01469 0.06845 0.04894 -0.02348 0.19611 2 18 8 0.00590 -0.15578 -0.00242 -0.00073 0.03001 3 18 8 0.01680 -0.05494 -0.01262 0.00571 -0.03545 1 19 6 0.00310 -0.16913 -0.04349 0.01996 -0.15739 2 19 6 0.00116 -0.03211 -0.00853 0.00382 -0.03205 3 19 6 0.00191 0.03325 0.00693 -0.00298 0.01825 1 20 1 -0.00012 -0.14560 -0.03840 0.01792 -0.13613 2 20 1 0.01430 -0.07213 -0.00367 0.00183 -0.01530 3 20 1 0.01342 -0.01126 0.00742 -0.00322 0.01781 1 21 1 -0.04009 0.01418 -0.04457 0.02094 -0.15377 2 21 1 0.00015 -0.03343 -0.00884 0.00387 -0.03203 3 21 1 0.01861 -0.00786 0.01112 -0.00454 0.02874 1 22 1 0.03953 -0.26867 -0.02525 0.01178 -0.09634 2 22 1 0.02872 -0.10568 0.00327 -0.00126 0.00536 3 22 1 0.00840 0.01412 0.01047 -0.00469 0.03049 1 23 6 0.03507 -0.02382 0.21771 -0.05962 -0.05201 2 23 6 -0.00346 -0.00461 -0.10778 0.02836 0.09612 3 23 6 -0.02712 0.02139 -0.05591 0.00502 -0.05425 1 24 6 -0.02048 0.00437 -0.07270 -0.00456 -0.00740 2 24 6 0.01366 0.00015 0.08796 -0.00127 -0.05235 3 24 6 0.04685 0.00726 -0.05312 0.05423 0.01191 1 25 6 0.15878 0.01213 -0.04122 0.02366 -0.01056 2 25 6 0.00865 -0.00307 0.03614 -0.03333 -0.06762 3 25 6 0.03595 0.01113 -0.06556 0.02914 0.06072 1 26 6 0.14575 0.01021 -0.04407 0.01335 -0.00090 2 26 6 0.00895 -0.01283 -0.10465 0.02826 0.03325 3 26 6 0.03476 0.00697 0.10443 -0.02607 -0.01972 1 27 6 0.00536 -0.00079 -0.03269 0.00839 0.09970 2 27 6 0.04556 0.01283 -0.14216 0.05157 0.00965 3 27 6 0.02043 0.01345 0.01062 -0.00503 -0.05501 1 28 1 0.01138 -0.03826 0.37114 -0.10806 -0.07993 2 28 1 -0.05151 -0.00689 -0.16947 0.04107 0.25186 3 28 1 -0.01407 0.01006 0.13432 -0.04950 -0.20288 1 29 1 0.26825 0.01573 0.09900 -0.01146 -0.03473 2 29 1 0.00342 -0.00571 0.13304 -0.07966 -0.10757 3 29 1 -0.01641 0.00921 -0.10174 0.03065 0.05995 1 30 1 0.20017 0.00822 0.00823 -0.02561 -0.12904 2 30 1 -0.01855 -0.01521 -0.07747 0.02706 0.06090 3 30 1 0.00650 0.00204 0.24269 -0.07132 -0.06992 1 31 1 -0.03506 -0.00880 -0.11999 0.03216 0.14043 2 31 1 0.04248 0.01590 -0.14791 0.05212 0.00747 3 31 1 0.03566 0.01107 0.02258 -0.00642 -0.05262 1 32 1 -0.05035 0.00500 -0.04123 -0.05781 -0.02573 2 32 1 0.03307 0.00726 0.05016 0.01148 -0.03034 3 32 1 0.04160 0.00267 -0.03603 0.05445 -0.00032 1 33 8 0.02375 0.00521 -0.06114 0.02239 -0.00713 2 33 8 -0.02336 -0.00112 0.06106 -0.02428 0.00712 3 33 8 -0.02456 -0.00468 0.02075 -0.00961 -0.01404 1 34 8 -0.12122 -0.00351 0.03687 -0.00468 0.00225 2 34 8 -0.00379 0.00114 -0.03459 0.05478 -0.00213 3 34 8 -0.00915 -0.00197 0.03568 0.04199 -0.00130 1 35 8 -0.01596 -0.00601 0.01754 -0.00191 0.00117 2 35 8 -0.02464 0.00595 -0.04136 -0.00466 0.02523 3 35 8 -0.00657 0.00448 -0.01889 -0.00361 -0.00425 1 36 1 -0.03219 -0.00822 0.02279 -0.00468 0.00511 2 36 1 -0.12988 -0.00750 0.02717 -0.02425 0.00499 3 36 1 -0.16855 -0.01538 0.01906 -0.03205 0.04773 1 37 8 -0.03175 0.01913 -0.00244 -0.00380 -0.00398 2 37 8 -0.00440 -0.01178 0.03230 -0.00568 0.01327 3 37 8 -0.03623 -0.01066 0.01155 -0.00048 0.02643 1 38 1 -0.04292 -0.02970 0.02049 -0.01117 0.01381 2 38 1 -0.11836 0.13868 -0.00811 0.00096 -0.08991 3 38 1 -0.11680 -0.19900 0.11680 -0.03302 0.08750 1 39 6 0.05359 -0.02948 0.28414 -0.07718 -0.17321 2 39 6 0.02164 -0.01429 0.05454 -0.00976 -0.01453 3 39 6 -0.02074 0.01132 -0.07289 0.01678 0.04108 1 40 8 -0.01833 0.00897 -0.08720 0.02339 0.05022 2 40 8 -0.00146 0.00082 -0.00815 0.00350 0.02238 3 40 8 0.00921 -0.00564 0.00245 0.00369 0.01916 1 41 8 -0.01450 0.00615 -0.07786 0.02105 0.05585 2 41 8 -0.00762 0.00419 0.03340 -0.01304 -0.03891 3 41 8 0.01353 -0.00689 0.07925 -0.02212 -0.04610 1 42 6 -0.00420 0.00107 -0.05610 0.01537 0.03645 2 42 6 0.00747 -0.00274 0.08435 -0.02316 -0.05063 3 42 6 -0.00416 0.00191 -0.04513 0.01211 0.02873 1 43 1 0.01078 -0.00753 -0.00858 0.00580 0.02071 2 43 1 -0.00298 0.00424 0.08557 -0.02894 -0.07355 3 43 1 0.00180 -0.00129 -0.01888 0.00585 0.01518 1 44 1 -0.00780 0.00240 -0.08707 0.02569 0.06158 2 44 1 0.02228 -0.00909 0.18078 -0.05322 -0.12128 3 44 1 -0.01524 0.00718 -0.08085 0.02101 0.04448 1 45 1 0.00368 -0.00257 0.02268 -0.00864 -0.02958 2 45 1 0.01078 -0.00488 0.06225 -0.01426 -0.02150 3 45 1 -0.00828 0.00496 -0.00013 -0.00531 -0.02530 1 46 6 0.03132 0.00056 -0.01727 -0.07127 0.00591 2 46 6 0.01011 0.00007 -0.03984 -0.13293 0.00751 3 46 6 -0.01427 -0.00014 -0.02804 -0.06387 0.00069 1 47 6 0.00464 0.00082 -0.02431 0.00553 0.00212 2 47 6 0.04576 -0.00017 0.01585 0.02348 -0.00125 3 47 6 0.11288 0.00120 0.02161 0.18897 0.00457 1 48 6 0.08701 0.00137 -0.00683 0.09407 -0.00061 2 48 6 0.08817 0.00060 0.03118 0.06807 -0.00383 3 48 6 -0.01809 -0.00040 0.01185 0.06948 0.00741 1 49 6 -0.07883 -0.00288 0.08888 0.04514 0.02325 2 49 6 0.02821 0.00015 0.02219 0.07096 0.00376 3 49 6 0.00093 0.00101 -0.04717 -0.08114 -0.01537 1 50 6 -0.09090 -0.00343 0.07175 -0.06850 0.01773 2 50 6 -0.05555 0.00034 -0.06282 0.00187 0.02109 3 50 6 0.06544 0.00118 -0.06267 -0.14420 -0.01945 1 51 1 0.22257 0.00296 -0.06537 -0.23252 0.00338 2 51 1 -0.21188 -0.00339 0.01169 0.01678 0.02885 3 51 1 -0.15046 -0.00302 -0.00194 -0.01470 0.03371 1 52 1 0.07930 0.00199 -0.06010 0.03549 -0.00688 2 52 1 0.08282 0.00014 0.05251 0.07407 -0.00090 3 52 1 -0.05281 -0.00115 0.01321 0.00216 0.00875 1 53 1 -0.24145 -0.00535 0.08752 0.00354 0.04943 2 53 1 0.10382 0.00138 0.01723 0.06566 -0.01367 3 53 1 -0.00808 0.00106 -0.05965 -0.13653 -0.02593 1 54 1 -0.09115 -0.00273 0.07707 -0.06864 0.01754 2 54 1 -0.00131 0.00213 -0.10154 0.00304 0.01431 3 54 1 0.13136 0.00244 -0.12018 -0.14284 -0.02537 1 55 1 0.01550 0.00111 -0.04086 -0.04872 0.00414 2 55 1 0.08871 0.00061 0.00559 0.10345 0.00160 3 55 1 0.14602 0.00173 0.02644 0.33257 0.00637 1 56 8 -0.08548 -0.00016 -0.01551 -0.03322 0.00269 2 56 8 -0.03763 -0.00021 0.01985 0.10685 -0.00060 3 56 8 0.16726 0.00221 -0.01562 0.01782 -0.00553 1 57 8 0.02022 -0.00017 -0.00510 -0.05830 -0.00176 2 57 8 -0.00526 -0.00011 -0.01051 -0.05118 -0.00015 3 57 8 -0.08233 -0.00067 -0.00332 -0.02711 0.00074 1 58 1 0.16365 0.00148 -0.04326 -0.08649 -0.00524 2 58 1 -0.30373 -0.00218 -0.03521 -0.21604 0.00141 3 58 1 0.08286 0.00087 -0.02058 -0.00198 -0.00171 1 59 8 0.09451 0.00218 -0.04335 0.02607 -0.00990 2 59 8 -0.06835 -0.00129 0.01800 -0.02227 0.00691 3 59 8 -0.09959 -0.00146 0.01081 -0.06947 0.00312 1 60 1 -0.02278 0.00115 -0.06854 -0.16672 -0.01561 2 60 1 -0.17950 -0.00277 0.01920 -0.08490 0.00219 3 60 1 -0.02629 -0.00069 0.02001 0.01673 0.00670 1 61 8 0.00143 0.00016 -0.02081 -0.04690 -0.00679 2 61 8 -0.00875 -0.00002 0.01048 0.00619 0.00118 3 61 8 -0.02826 -0.00015 0.01328 -0.01857 -0.00333 1 62 1 -0.06152 0.00312 -0.00864 0.00158 0.02788 2 62 1 0.01620 -0.00368 0.05424 0.02446 -0.01259 3 62 1 -0.08556 -0.00263 0.12346 0.10426 0.02928 1 63 6 0.04938 0.00095 0.03544 0.17646 -0.00555 2 63 6 0.18119 0.00312 -0.07643 -0.30004 -0.02094 3 63 6 -0.12198 -0.00181 0.03887 0.10773 0.01118 1 64 8 -0.01229 -0.00020 -0.01429 -0.03631 0.00145 2 64 8 -0.04605 -0.00085 0.02970 0.06235 0.00423 3 64 8 0.01031 0.00021 0.01323 -0.03510 -0.00230 1 65 8 0.00764 -0.00020 0.06134 0.27094 -0.00022 2 65 8 -0.04519 -0.00124 0.02362 0.10410 0.00690 3 65 8 0.05832 0.00043 0.01218 0.07794 -0.00333 1 66 6 -0.04057 0.00000 -0.04001 -0.22917 0.00137 2 66 6 -0.01883 -0.00018 -0.00492 -0.03299 0.00095 3 66 6 -0.01267 -0.00006 -0.01389 -0.07975 -0.00002 1 67 1 -0.03545 -0.00020 -0.03174 -0.18671 0.00226 2 67 1 -0.01731 -0.00025 -0.00781 -0.02597 0.00173 3 67 1 -0.01343 -0.00017 -0.02304 -0.08757 0.00105 1 68 1 -0.04308 -0.00035 -0.06101 -0.23919 0.00384 2 68 1 -0.01869 -0.00021 -0.01523 -0.04506 0.00174 3 68 1 -0.01397 -0.00025 -0.02969 -0.09210 0.00146 1 69 1 -0.02068 -0.00012 0.01371 -0.09145 0.00023 2 69 1 -0.01742 -0.00018 -0.00593 -0.03865 0.00118 3 69 1 -0.01653 -0.00007 -0.01947 -0.08847 -0.00003 1 70 19 0.00062 -0.00350 0.00047 -0.00678 -0.00342 2 70 19 0.00106 -0.00089 -0.00144 -0.00131 -0.00017 3 70 19 0.00012 0.00062 0.00096 -0.00066 0.00174 76 77 78 79 80 A A A A A Frequencies --- 711.9006 731.3337 733.4381 751.3720 768.5557 Reduced masses --- 4.9581 5.1948 6.2974 5.5498 5.7598 Force constants --- 1.4805 1.6370 1.9959 1.8460 2.0045 IR Intensities --- 18.8231 7.1542 16.8135 9.2698 23.0997 Coord Atom Element: 1 1 6 0.04376 -0.03023 -0.01056 -0.00399 -0.26796 2 1 6 0.01083 0.00054 0.00135 -0.00220 -0.17029 3 1 6 -0.01076 -0.03413 -0.01729 0.01474 0.13449 1 2 6 -0.07128 0.13051 0.05782 -0.03459 0.03958 2 2 6 0.02323 -0.10798 -0.04797 0.01637 -0.06508 3 2 6 -0.00938 0.05079 0.02335 -0.00292 -0.11235 1 3 6 -0.09707 0.17374 0.07756 -0.04693 0.01968 2 3 6 -0.00813 -0.01315 -0.00659 0.00354 0.01919 3 3 6 -0.03378 0.05683 0.02525 -0.01450 0.00152 1 4 6 -0.01680 0.01925 0.00839 -0.00396 -0.01239 2 4 6 0.02349 0.02397 0.01215 -0.00732 0.00426 3 4 6 0.06190 -0.08436 -0.03665 0.01539 0.04090 1 5 6 0.01257 -0.05346 -0.02445 0.01357 0.00598 2 5 6 0.02198 0.03615 0.01765 -0.01171 0.00279 3 5 6 0.04411 -0.05273 -0.02247 0.00913 -0.02543 1 6 1 -0.13629 0.17413 0.07641 -0.05180 0.06929 2 6 1 -0.03117 0.03717 0.01562 -0.00455 0.01273 3 6 1 -0.10512 0.10684 0.04563 -0.02772 0.05587 1 7 1 0.02272 -0.06415 -0.02884 0.01599 -0.00933 2 7 1 0.04251 0.01252 0.00762 -0.00674 0.04312 3 7 1 0.10665 -0.15805 -0.06911 0.03160 0.06530 1 8 1 0.12663 -0.27761 -0.12557 0.06725 0.52486 2 8 1 0.09024 -0.09823 -0.04302 0.02060 0.32145 3 8 1 0.05069 0.03568 0.02018 -0.01878 -0.25924 1 9 1 -0.07080 0.21039 0.09655 -0.05886 -0.00987 2 9 1 0.01975 -0.06755 -0.02879 0.00480 -0.09732 3 9 1 -0.03838 0.11986 0.05399 -0.01742 -0.15104 1 10 8 0.02083 -0.00618 -0.00239 0.00194 0.08879 2 10 8 0.01181 -0.02403 -0.01104 0.00594 0.01163 3 10 8 0.07355 -0.07327 -0.03069 0.01016 -0.06640 1 11 8 -0.03812 -0.07186 -0.03660 0.03747 0.01454 2 11 8 0.04066 -0.03378 -0.01301 0.00117 -0.04816 3 11 8 -0.02185 -0.01863 -0.01098 0.01395 0.04263 1 12 8 0.01161 -0.01088 -0.00454 0.00105 0.00693 2 12 8 -0.03197 0.02174 0.00857 -0.00160 0.00767 3 12 8 -0.03035 0.01797 0.00680 -0.00115 0.02842 1 13 1 0.05660 -0.10237 -0.04596 0.02706 0.03052 2 13 1 -0.09971 0.16071 0.07145 -0.04193 -0.00421 3 13 1 -0.09730 0.15229 0.06755 -0.03932 -0.00082 1 14 8 0.05154 -0.08905 -0.03938 0.01979 0.00696 2 14 8 -0.02594 0.03565 0.01553 -0.00789 0.00517 3 14 8 0.01902 -0.03691 -0.01648 0.00878 0.00700 1 15 1 0.01916 -0.03155 -0.01379 0.00852 -0.00939 2 15 1 -0.00520 0.00789 0.00354 -0.00387 -0.02591 3 15 1 -0.00278 0.00683 0.00318 -0.00071 -0.02733 1 16 6 -0.07357 0.07665 0.03238 -0.01123 0.04499 2 16 6 0.02750 -0.08149 -0.03817 0.02454 0.32148 3 16 6 -0.11315 0.16094 0.07093 -0.03428 -0.27670 1 17 8 0.02144 -0.02155 -0.00925 0.00351 0.01041 2 17 8 -0.03997 0.06133 0.02700 -0.01411 -0.04152 3 17 8 -0.00271 0.00484 0.00201 -0.00154 0.05244 1 18 8 -0.10354 0.09850 0.04068 -0.01373 0.10309 2 18 8 -0.02760 0.04113 0.01818 -0.00924 -0.03994 3 18 8 0.02361 -0.03439 -0.01554 0.00854 0.10482 1 19 6 0.08959 -0.08727 -0.03619 0.01369 -0.08906 2 19 6 0.01770 -0.01556 -0.00625 0.00204 -0.02920 3 19 6 -0.00874 0.00733 0.00299 -0.00130 0.01018 1 20 1 0.07432 -0.07123 -0.02958 0.01071 -0.08773 2 20 1 0.01856 -0.02647 -0.01155 0.00624 -0.00025 3 20 1 0.00127 -0.01074 -0.00508 0.00365 0.03179 1 21 1 0.05448 -0.02912 -0.01062 -0.00106 -0.12502 2 21 1 0.01707 -0.01486 -0.00596 0.00184 -0.02868 3 21 1 -0.00312 -0.00534 -0.00275 0.00268 0.02056 1 22 1 0.08361 -0.10526 -0.04540 0.02163 -0.01487 2 22 1 0.01643 -0.02735 -0.01206 0.00670 0.00031 3 22 1 -0.01016 0.00348 0.00102 0.00041 0.02896 1 23 6 -0.01713 -0.05830 -0.02703 0.05109 -0.05932 2 23 6 0.11568 0.00120 0.01097 -0.13314 0.01178 3 23 6 -0.10683 0.03465 0.00550 0.05190 0.04550 1 24 6 -0.10571 -0.05772 -0.04534 0.00936 -0.01933 2 24 6 -0.02716 0.01720 0.00804 0.09673 -0.01791 3 24 6 0.02929 0.04817 0.01697 0.16785 -0.01175 1 25 6 0.08425 0.06189 0.03210 -0.01825 -0.00726 2 25 6 -0.14721 -0.03368 -0.01845 0.07338 0.00658 3 25 6 0.15690 0.04458 0.02441 -0.09750 -0.00699 1 26 6 0.05467 0.04974 0.02666 0.01564 0.01356 2 26 6 -0.08449 -0.01465 -0.02335 0.17085 0.02233 3 26 6 0.10048 0.01177 0.02346 -0.15513 -0.01966 1 27 6 0.08447 -0.07090 -0.03258 0.02611 -0.01895 2 27 6 0.06767 0.12360 0.05719 -0.02451 0.07605 3 27 6 -0.01782 0.07538 0.03840 -0.03374 0.07606 1 28 1 -0.03926 -0.12440 -0.04555 0.03169 -0.10746 2 28 1 0.19531 -0.17956 -0.07628 -0.08321 -0.11950 3 28 1 -0.19358 0.11332 0.05573 -0.00197 0.10205 1 29 1 0.24746 0.09601 0.07730 -0.21096 -0.03844 2 29 1 -0.16504 -0.05471 -0.01180 -0.03001 0.01265 3 29 1 0.07823 0.02278 0.00622 -0.04881 0.00956 1 30 1 -0.12908 0.04175 0.02002 0.07958 0.01797 2 30 1 -0.03761 -0.02831 -0.02715 0.13903 0.00141 3 30 1 0.06143 -0.03324 0.00838 -0.20524 -0.07458 1 31 1 0.05826 -0.03620 -0.01833 0.02664 0.04536 2 31 1 0.09898 0.13432 0.06684 -0.08772 0.07496 3 31 1 -0.05442 0.05677 0.02306 0.06124 0.07254 1 32 1 -0.14984 -0.08994 -0.08118 -0.02737 -0.03844 2 32 1 0.04093 0.04261 0.01864 0.03249 -0.01560 3 32 1 -0.01135 0.03682 0.01208 0.21677 -0.01165 1 33 8 -0.05842 0.00372 -0.01850 0.10246 -0.00701 2 33 8 0.01760 -0.04760 -0.00853 -0.03495 -0.04373 3 33 8 -0.05463 -0.03131 -0.01659 0.01690 -0.00820 1 34 8 -0.04653 -0.07839 0.00147 -0.12485 -0.00919 2 34 8 -0.03632 0.00375 -0.00946 0.05349 0.00230 3 34 8 0.02230 0.00518 0.05194 0.02611 0.00589 1 35 8 -0.00213 -0.00650 -0.00304 0.01070 -0.00523 2 35 8 0.03104 -0.00053 0.00297 -0.08323 0.01141 3 35 8 -0.01994 -0.00426 -0.00099 -0.02221 0.00912 1 36 1 -0.00504 -0.01252 -0.00560 0.01112 -0.00503 2 36 1 -0.08951 -0.06884 -0.03751 -0.01895 0.00804 3 36 1 -0.01989 -0.05422 -0.02019 -0.04645 0.01575 1 37 8 -0.01427 -0.00157 -0.00074 -0.00901 0.00433 2 37 8 0.01632 -0.01453 -0.00461 -0.00857 -0.02118 3 37 8 -0.02725 -0.05241 -0.02896 0.05425 -0.03751 1 38 1 -0.00414 -0.00141 0.00080 -0.02506 0.01083 2 38 1 -0.06529 -0.05138 -0.02430 -0.04145 -0.05322 3 38 1 0.00444 -0.06231 -0.02746 -0.02739 -0.00421 1 39 6 -0.05366 0.11353 0.07117 -0.13018 0.08525 2 39 6 0.05302 0.05305 0.03897 -0.13981 0.04082 3 39 6 -0.02639 -0.05781 -0.04004 0.13418 -0.04612 1 40 8 0.02116 -0.02546 -0.01529 0.02235 -0.01816 2 40 8 0.03545 -0.00957 -0.00089 -0.03454 -0.00828 3 40 8 0.06297 0.01642 0.01853 -0.09745 0.00857 1 41 8 0.02710 -0.03113 -0.01769 0.03181 -0.02368 2 41 8 -0.07353 -0.01531 -0.01633 0.09463 -0.01002 3 41 8 -0.02988 0.01399 0.00744 0.02405 0.00693 1 42 6 0.03551 0.00116 0.00253 -0.03299 0.00340 2 42 6 -0.04692 -0.00348 -0.00396 0.04309 -0.00695 3 42 6 0.03028 0.00177 0.00275 -0.03268 0.00493 1 43 1 0.05662 0.02458 0.02089 -0.09595 0.01587 2 43 1 -0.11968 -0.02452 -0.02615 0.16389 -0.01931 3 43 1 0.02681 0.01046 0.00832 -0.04250 0.00935 1 44 1 0.06531 -0.00236 0.00340 -0.06231 0.00078 2 44 1 -0.11669 0.01381 0.00032 0.09644 0.00512 3 44 1 0.01931 -0.01548 -0.01027 0.01040 -0.00961 1 45 1 -0.03969 0.00953 0.00050 0.04135 0.01030 2 45 1 0.01346 0.00629 0.00881 -0.04517 0.00091 3 45 1 -0.07323 -0.01277 -0.01764 0.11412 -0.00644 1 46 6 0.01340 -0.00581 -0.00929 -0.05503 0.00155 2 46 6 -0.00729 -0.02203 -0.05400 -0.11478 -0.00096 3 46 6 -0.02270 0.01530 -0.13693 -0.06730 -0.00299 1 47 6 -0.04311 -0.12732 0.23957 -0.03516 -0.00241 2 47 6 0.01631 0.06971 -0.15229 0.00632 0.00078 3 47 6 -0.03849 -0.09271 0.16255 -0.03726 -0.00078 1 48 6 -0.04350 -0.07034 0.09844 -0.03576 -0.00153 2 48 6 0.02539 0.01211 0.06045 0.04838 0.00284 3 48 6 -0.01738 -0.07363 0.13138 -0.03801 -0.00118 1 49 6 0.16956 0.12748 0.02497 0.13585 0.01272 2 49 6 0.00382 -0.04593 0.12293 -0.00434 0.00014 3 49 6 -0.06668 -0.01023 -0.10322 -0.04030 -0.00584 1 50 6 0.15250 0.13956 -0.10141 0.06058 0.00742 2 50 6 -0.06892 -0.08911 -0.01444 -0.14361 -0.00404 3 50 6 -0.07781 0.00074 -0.20395 -0.11656 -0.00662 1 51 1 0.03627 0.02182 -0.01990 -0.02486 0.00493 2 51 1 0.00446 -0.03799 -0.07083 -0.18823 -0.00144 3 51 1 0.02539 0.01390 -0.15361 -0.15220 0.00058 1 52 1 -0.12244 -0.08832 -0.05147 -0.12160 -0.00830 2 52 1 0.06355 0.03434 0.08957 0.08284 0.00576 3 52 1 0.01362 -0.01522 0.03102 -0.02673 0.00012 1 53 1 0.20419 0.13914 -0.02951 0.08357 0.01383 2 53 1 -0.01355 -0.02961 0.10866 0.03982 -0.00031 3 53 1 -0.07085 0.03381 -0.18923 -0.00217 -0.00607 1 54 1 0.22745 0.27124 -0.18622 0.21740 0.01727 2 54 1 -0.09569 -0.05868 -0.09797 -0.11768 -0.00323 3 54 1 -0.21870 -0.15444 -0.18983 -0.32228 -0.02054 1 55 1 -0.03496 -0.14378 0.31212 -0.01138 -0.00127 2 55 1 -0.04203 -0.02386 -0.06127 -0.07268 -0.00329 3 55 1 -0.11113 -0.18934 0.21762 -0.14660 -0.00633 1 56 8 0.00026 -0.05400 0.16791 0.03296 0.00094 2 56 8 -0.01445 0.00219 -0.02452 0.00005 -0.00070 3 56 8 -0.00151 0.03223 -0.03279 0.05605 0.00170 1 57 8 0.01626 0.06230 -0.13544 0.00930 0.00042 2 57 8 0.00541 0.02618 -0.06469 0.00009 0.00001 3 57 8 0.00251 0.00077 -0.00060 0.00070 -0.00009 1 58 1 -0.03047 0.00458 -0.08255 -0.02927 -0.00328 2 58 1 0.02606 0.00068 0.04684 0.03128 0.00034 3 58 1 -0.03159 -0.02910 0.00588 -0.03074 -0.00244 1 59 8 -0.07918 -0.04716 -0.02804 -0.05057 -0.00433 2 59 8 0.03851 0.01980 0.01405 0.01855 0.00188 3 59 8 0.03868 0.02187 0.01525 0.02511 0.00174 1 60 1 -0.04389 0.04773 -0.19936 -0.00849 -0.00366 2 60 1 0.03988 0.01034 0.04486 0.03144 0.00248 3 60 1 0.02710 -0.00839 0.06796 0.00729 0.00141 1 61 8 -0.02258 0.00673 -0.06070 -0.01107 -0.00179 2 61 8 0.02303 0.02423 0.00232 0.03630 0.00174 3 61 8 0.02989 0.04916 -0.03363 0.05937 0.00174 1 62 1 0.08976 0.06636 0.00302 0.03860 0.00822 2 62 1 0.01724 0.01008 0.03514 0.05544 0.00035 3 62 1 0.21183 0.12098 0.14664 0.18177 0.01641 1 63 6 -0.02404 0.03071 -0.10743 0.00034 -0.00059 2 63 6 0.00859 0.00566 0.07400 0.08408 -0.00051 3 63 6 0.00791 -0.01158 0.00328 -0.03889 0.00043 1 64 8 -0.00800 -0.00306 -0.02889 -0.02623 -0.00078 2 64 8 0.01963 0.00132 0.04451 0.02307 0.00147 3 64 8 0.03624 0.00493 0.10468 0.07401 0.00217 1 65 8 -0.02534 0.03808 -0.14553 -0.01707 -0.00065 2 65 8 -0.00413 -0.00186 -0.02531 -0.02847 0.00108 3 65 8 -0.01194 0.01455 -0.04907 0.00046 0.00059 1 66 6 0.03952 -0.02810 0.16277 0.04434 0.00145 2 66 6 0.00598 -0.00500 0.02350 0.00395 0.00025 3 66 6 0.01359 -0.00799 0.05569 0.01973 0.00048 1 67 1 0.03492 -0.02028 0.13122 0.03839 0.00139 2 67 1 -0.00187 -0.00445 -0.00612 -0.01499 -0.00023 3 67 1 0.00130 -0.01106 0.01639 -0.01313 -0.00042 1 68 1 0.00965 -0.03351 0.06988 -0.02765 -0.00070 2 68 1 -0.00493 -0.00829 -0.00804 -0.02325 -0.00051 3 68 1 -0.00659 -0.01258 -0.00436 -0.02854 -0.00100 1 69 1 0.06655 -0.00214 0.20293 0.11812 0.00405 2 69 1 0.00689 -0.00475 0.02297 0.00287 0.00025 3 69 1 0.00841 -0.01153 0.04947 0.01088 0.00012 1 70 19 0.00269 -0.00229 0.00248 0.00092 -0.00117 2 70 19 0.00094 -0.00086 -0.00023 -0.00021 0.00040 3 70 19 -0.00150 0.00156 0.00017 0.00092 -0.00022 81 82 83 84 85 A A A A A Frequencies --- 794.7407 808.4058 819.4744 844.9707 858.1392 Reduced masses --- 5.0472 5.3385 4.9012 3.1879 2.0750 Force constants --- 1.8782 2.0556 1.9392 1.3410 0.9003 IR Intensities --- 28.1388 26.9122 29.0279 28.0880 13.0027 Coord Atom Element: 1 1 6 0.04506 0.09018 0.05994 -0.03156 0.00263 2 1 6 0.04010 0.04954 0.02120 -0.00343 -0.00660 3 1 6 -0.00034 0.01641 0.01493 0.01218 -0.06323 1 2 6 -0.03558 -0.03633 -0.01704 0.01376 -0.00534 2 2 6 0.03747 0.14877 0.11225 -0.01952 -0.04726 3 2 6 -0.01505 -0.05515 -0.03408 -0.00868 0.03159 1 3 6 -0.06657 0.01476 0.07198 -0.06293 0.01297 2 3 6 0.00730 0.07436 0.07344 -0.05133 0.01371 3 3 6 -0.02131 -0.04206 -0.02904 0.02115 -0.00798 1 4 6 -0.00166 -0.01971 -0.01695 0.00520 0.00428 2 4 6 -0.02323 -0.08405 -0.06653 0.03002 0.00841 3 4 6 0.00682 0.05014 0.04593 -0.02521 -0.00327 1 5 6 0.01752 0.06114 0.04401 0.02046 -0.11744 2 5 6 -0.02437 -0.12262 -0.11940 0.11373 -0.07916 3 5 6 0.01151 0.03324 0.02734 -0.01736 -0.00595 1 6 1 -0.06095 0.13332 0.17641 -0.07843 -0.05135 2 6 1 -0.00177 0.03800 0.05207 -0.06996 0.05492 3 6 1 -0.02260 0.06621 0.07732 -0.01979 -0.04134 1 7 1 0.02677 -0.02536 -0.05255 0.04695 -0.00837 2 7 1 -0.03985 0.00133 0.05412 -0.11556 0.13471 3 7 1 0.01925 0.09594 0.09029 -0.08330 0.06911 1 8 1 -0.02991 0.28712 0.38495 -0.56500 0.68046 2 8 1 -0.05404 0.01142 0.08501 -0.24174 0.40983 3 8 1 -0.00253 -0.15793 -0.19301 0.29329 -0.39774 1 9 1 -0.09822 -0.20438 -0.13581 0.07381 0.01451 2 9 1 0.01852 0.09647 0.07756 -0.00762 -0.04039 3 9 1 -0.00263 -0.02341 0.00233 -0.05134 0.03323 1 10 8 -0.02959 -0.07374 -0.05298 0.01888 0.03222 2 10 8 0.02031 0.04793 0.04087 -0.03889 0.01420 3 10 8 0.03298 -0.00935 -0.04373 0.04838 -0.00815 1 11 8 0.03174 0.07903 0.03592 0.02013 -0.04225 2 11 8 -0.03069 -0.08712 -0.06632 0.02842 0.01888 3 11 8 -0.02988 0.00271 0.02093 -0.01946 -0.00294 1 12 8 0.00191 -0.00688 -0.00888 0.00750 -0.00267 2 12 8 0.00542 0.00187 -0.00068 -0.00307 0.00334 3 12 8 0.00425 0.01653 0.01563 -0.01557 0.00756 1 13 1 0.04338 0.00567 -0.03417 0.03762 -0.01171 2 13 1 -0.05315 -0.01289 0.02967 -0.02772 0.00748 3 13 1 -0.05496 0.00014 0.05211 -0.05671 0.01907 1 14 8 0.02125 0.02602 0.00768 0.00122 0.00708 2 14 8 -0.00846 0.00086 0.00801 -0.00991 0.01001 3 14 8 0.00869 0.00642 -0.00061 -0.00199 0.01497 1 15 1 0.01081 -0.06483 -0.07518 0.03231 0.04899 2 15 1 0.00229 0.02339 0.02013 0.00049 -0.02550 3 15 1 0.00382 -0.07003 -0.07445 0.03384 0.03554 1 16 6 -0.01777 -0.03842 -0.02447 0.00694 0.01476 2 16 6 -0.04692 -0.05776 -0.03081 0.03403 -0.05730 3 16 6 0.03355 0.03992 0.02176 -0.03051 0.04961 1 17 8 -0.00147 -0.00149 -0.00093 -0.00176 0.00672 2 17 8 -0.00915 -0.01612 -0.00725 -0.01128 0.03530 3 17 8 -0.01819 -0.02423 -0.01106 -0.00056 0.01162 1 18 8 -0.02948 -0.05660 -0.03644 0.01413 0.00772 2 18 8 -0.00021 -0.00611 -0.00597 -0.00267 0.01655 3 18 8 -0.01579 -0.02403 -0.01460 0.00965 -0.00683 1 19 6 0.03074 0.05251 0.03050 -0.00341 -0.02567 2 19 6 0.00763 0.01261 0.00752 -0.00184 -0.00358 3 19 6 -0.00301 -0.00375 -0.00126 -0.00159 0.00446 1 20 1 0.02749 0.05139 0.03209 -0.01149 -0.01222 2 20 1 0.00766 0.01332 0.00646 0.00530 -0.02004 3 20 1 -0.00102 -0.00231 -0.00264 0.00784 -0.01478 1 21 1 0.01640 0.03100 0.02124 -0.01834 0.01957 2 21 1 0.00751 0.01360 0.00896 -0.00459 0.00037 3 21 1 0.00028 -0.00351 -0.00569 0.01316 -0.02206 1 22 1 0.03010 0.05424 0.03043 0.00437 -0.04795 2 22 1 0.01108 0.01375 0.00330 0.01395 -0.03542 3 22 1 -0.00384 -0.00318 -0.00010 -0.00261 0.00410 1 23 6 0.04346 -0.11392 -0.12160 0.05250 0.09671 2 23 6 -0.03244 0.05642 0.00193 -0.04649 -0.06061 3 23 6 0.07251 0.06027 0.03643 -0.02011 -0.05301 1 24 6 -0.11683 0.00948 0.02972 0.00942 0.01231 2 24 6 -0.08112 -0.03935 0.03640 0.02059 0.03304 3 24 6 -0.09254 -0.04519 0.12513 0.03211 0.01535 1 25 6 -0.06731 -0.06471 0.01949 -0.07467 -0.01391 2 25 6 0.01198 0.03289 0.03536 0.07819 0.00183 3 25 6 -0.03613 -0.05421 -0.02811 -0.09746 -0.00225 1 26 6 0.04944 -0.01884 0.03270 -0.01146 -0.01584 2 26 6 0.07670 0.02243 0.06597 0.00445 -0.00987 3 26 6 -0.06153 -0.02700 -0.06005 0.00898 0.01146 1 27 6 0.17043 0.01456 -0.10002 0.04369 0.02634 2 27 6 0.22469 0.02950 -0.09577 -0.00832 0.04322 3 27 6 0.23195 0.12910 -0.03597 0.11404 0.05568 1 28 1 -0.02025 -0.17768 -0.15320 0.06873 0.13854 2 28 1 -0.16424 -0.08200 -0.07626 -0.06035 -0.05516 3 28 1 0.11003 0.10770 0.07183 0.00567 -0.01876 1 29 1 -0.13014 -0.15906 -0.07574 -0.14000 -0.02198 2 29 1 0.08485 0.05524 -0.05106 0.08609 -0.01424 3 29 1 0.01604 -0.00263 -0.01400 -0.06687 -0.00464 1 30 1 -0.00275 0.01350 0.12003 0.10879 -0.02852 2 30 1 0.02665 -0.00615 0.05227 -0.03371 -0.01434 3 30 1 -0.26075 -0.07325 -0.02015 0.02300 -0.00920 1 31 1 0.34636 0.17439 -0.07864 0.04952 -0.00607 2 31 1 0.16481 -0.00499 -0.12224 -0.07128 0.01119 3 31 1 0.31991 0.16523 -0.00647 0.20840 0.10944 1 32 1 -0.15885 -0.02139 0.04326 0.03456 0.04013 2 32 1 -0.10188 -0.07741 0.01347 -0.05248 0.05406 3 32 1 -0.07906 -0.01790 0.14335 0.07854 -0.00066 1 33 8 -0.06093 0.01171 0.08086 0.04838 -0.01936 2 33 8 -0.10918 -0.07416 0.01140 -0.04785 0.01134 3 33 8 -0.01099 0.02016 -0.00522 0.05628 0.01388 1 34 8 -0.03890 0.06062 -0.11704 -0.01957 0.01341 2 34 8 -0.06246 0.07872 -0.03397 0.01678 -0.00719 3 34 8 0.00524 0.03321 -0.03527 -0.00922 -0.00536 1 35 8 -0.01663 -0.00791 0.00527 0.00034 0.00230 2 35 8 0.04791 0.02295 -0.03793 -0.01821 -0.01353 3 35 8 0.02715 0.02477 -0.01196 0.00703 -0.00938 1 36 1 -0.00837 -0.00320 0.00353 0.00883 0.00394 2 36 1 0.06792 0.07659 -0.04309 0.06998 0.00886 3 36 1 0.12635 0.07601 -0.04076 0.07958 -0.00089 1 37 8 0.01922 0.01633 -0.00686 0.01134 0.00297 2 37 8 -0.06808 -0.03358 0.00833 -0.02663 -0.01450 3 37 8 -0.11481 -0.04643 0.04282 -0.04429 -0.02979 1 38 1 0.02747 0.01452 -0.02676 0.01795 0.01325 2 38 1 -0.16062 0.00814 0.01257 -0.03151 -0.01416 3 38 1 -0.10542 -0.05459 -0.05429 -0.01244 0.00991 1 39 6 0.04307 0.10342 0.05843 -0.07244 -0.07368 2 39 6 -0.05897 0.10941 0.07791 0.00949 -0.05351 3 39 6 0.06060 -0.12695 -0.09687 -0.09364 -0.00112 1 40 8 -0.01241 -0.01998 -0.00986 0.03073 0.02975 2 40 8 -0.05882 0.02861 0.03816 0.10623 0.05037 3 40 8 -0.08327 0.07263 0.06978 0.15928 0.07407 1 41 8 -0.00166 -0.04324 -0.02920 -0.01890 0.00655 2 41 8 0.07431 -0.06579 -0.05989 -0.08639 -0.02245 3 41 8 0.06453 -0.04521 -0.04830 -0.12779 -0.05039 1 42 6 -0.02286 0.02059 0.01487 -0.01351 -0.02562 2 42 6 0.02432 -0.02585 -0.01633 0.03504 0.04351 3 42 6 -0.02573 0.02512 0.02097 0.00126 -0.01765 1 43 1 -0.05729 0.06933 0.05325 0.05679 -0.00142 2 43 1 0.13115 -0.12831 -0.11007 -0.16168 -0.03365 3 43 1 -0.02302 0.03133 0.02326 0.00132 -0.01903 1 44 1 -0.06317 0.04825 0.04335 0.06252 0.00869 2 44 1 0.11675 -0.07965 -0.07652 -0.14037 -0.03903 3 44 1 -0.00708 -0.00895 -0.00586 -0.02209 -0.01913 1 45 1 0.07739 -0.04452 -0.05541 -0.18586 -0.09728 2 45 1 -0.06074 0.04947 0.05644 0.17880 0.09769 3 45 1 0.11859 -0.10034 -0.10020 -0.24183 -0.10927 1 46 6 0.08299 -0.11251 0.10461 0.00587 -0.00411 2 46 6 0.09721 -0.11801 0.08318 -0.00714 -0.00061 3 46 6 0.01869 -0.02350 0.00554 -0.00368 0.00422 1 47 6 0.01628 -0.02413 0.00872 -0.00392 0.00315 2 47 6 -0.00115 -0.00127 0.01013 0.00488 -0.00177 3 47 6 0.03490 -0.05138 0.04215 0.00153 0.00079 1 48 6 0.03184 -0.06120 0.06580 0.01192 -0.00194 2 48 6 0.03704 -0.09426 0.13803 0.03246 -0.01058 3 48 6 0.03075 -0.04872 0.04221 0.00572 0.00020 1 49 6 0.02003 0.00507 0.02165 0.00402 -0.00727 2 49 6 0.01373 -0.00866 -0.00952 -0.00909 0.00475 3 49 6 -0.02387 0.00424 -0.00146 0.00590 0.00095 1 50 6 0.07356 -0.11884 0.14393 0.02233 -0.00548 2 50 6 0.02174 0.02204 -0.06825 -0.02238 0.00467 3 50 6 0.06353 -0.13500 0.12945 0.02105 0.00220 1 51 1 0.05592 -0.03441 0.01834 -0.01313 -0.00697 2 51 1 0.16408 -0.20746 0.15742 -0.00369 0.00040 3 51 1 0.10046 -0.08129 0.02779 -0.02131 0.00167 1 52 1 0.00023 -0.01677 0.00244 0.00481 0.00210 2 52 1 0.05407 -0.12372 0.18179 0.04119 -0.01407 3 52 1 0.04809 -0.09506 0.11553 0.02741 -0.00699 1 53 1 -0.00387 0.12398 -0.15458 -0.03891 0.00237 2 53 1 0.00480 -0.03710 0.05070 0.00945 -0.00025 3 53 1 -0.07145 0.07140 -0.06221 0.00000 0.00112 1 54 1 0.04087 -0.08761 0.19274 0.05580 -0.02292 2 54 1 0.01367 0.00488 -0.00985 0.00859 -0.00044 3 54 1 0.10938 -0.21577 0.14244 0.00955 0.02109 1 55 1 -0.01431 0.04163 -0.06625 -0.01853 0.00413 2 55 1 0.01783 -0.01641 -0.01067 -0.00970 0.00662 3 55 1 0.08829 -0.13787 0.09945 0.00128 0.00855 1 56 8 -0.02207 0.03368 -0.02729 -0.00053 -0.00141 2 56 8 -0.00868 0.00757 -0.00471 0.00137 0.00095 3 56 8 -0.07081 0.12845 -0.12805 -0.01918 -0.00008 1 57 8 -0.02572 0.05302 -0.06078 -0.01170 0.00224 2 57 8 -0.02119 0.04876 -0.06194 -0.01387 0.00314 3 57 8 -0.00276 0.00332 -0.00279 0.00045 0.00011 1 58 1 -0.02313 0.04048 -0.05607 -0.01171 0.00409 2 58 1 -0.04633 0.08754 -0.10138 -0.01866 0.00485 3 58 1 0.00530 -0.01474 0.01090 0.00194 0.00075 1 59 8 -0.01653 0.01962 -0.02905 -0.00411 0.00196 2 59 8 0.00449 0.00054 -0.00093 -0.00143 -0.00001 3 59 8 0.00628 -0.01009 0.01525 0.00269 -0.00084 1 60 1 -0.08237 0.14634 -0.17402 -0.03392 0.00866 2 60 1 -0.00123 0.01545 -0.01455 -0.00134 0.00050 3 60 1 0.03168 -0.06007 0.07159 0.01342 -0.00342 1 61 8 -0.01651 0.02413 -0.02849 -0.00398 0.00144 2 61 8 -0.01558 0.02438 -0.01563 -0.00077 -0.00190 3 61 8 -0.04029 0.06341 -0.05452 -0.00670 -0.00065 1 62 1 0.00081 0.02151 -0.01257 -0.01319 -0.00532 2 62 1 -0.01493 0.03821 -0.04562 -0.00173 0.00374 3 62 1 -0.00717 0.08548 -0.08600 -0.02380 -0.00132 1 63 6 -0.02433 0.03792 -0.03659 -0.00318 0.00133 2 63 6 -0.06771 0.07733 -0.06283 0.00068 0.00319 3 63 6 0.04170 -0.05118 0.04014 -0.00175 -0.00040 1 64 8 0.01013 -0.01071 0.00284 -0.00186 0.00099 2 64 8 -0.00073 0.00256 0.00301 0.00129 -0.00162 3 64 8 -0.02911 0.03496 -0.01929 0.00265 -0.00150 1 65 8 -0.01421 0.02775 -0.03010 -0.00381 0.00104 2 65 8 0.02700 -0.02517 0.02140 0.00066 -0.00198 3 65 8 -0.00591 0.01152 -0.00877 0.00039 -0.00066 1 66 6 -0.00045 -0.00674 0.01564 0.00388 -0.00176 2 66 6 0.00165 -0.00315 0.00415 0.00082 -0.00030 3 66 6 -0.00446 0.00299 0.00150 0.00174 -0.00063 1 67 1 -0.00172 -0.00258 0.01080 0.00370 -0.00204 2 67 1 0.00989 -0.01312 0.00980 0.00021 0.00002 3 67 1 0.01234 -0.01932 0.01616 0.00099 0.00012 1 68 1 0.03117 -0.04533 0.03673 0.00084 -0.00014 2 68 1 0.01555 -0.02132 0.01615 0.00012 0.00019 3 68 1 0.01694 -0.02340 0.01611 -0.00032 0.00050 1 69 1 -0.03845 0.04612 -0.01870 0.00628 -0.00408 2 69 1 0.00334 -0.00542 0.00627 0.00100 -0.00039 3 69 1 -0.00185 -0.00050 0.00265 0.00118 -0.00024 1 70 19 0.00090 -0.00131 0.00052 0.00001 0.00015 2 70 19 0.00016 0.00001 0.00033 0.00012 -0.00020 3 70 19 0.00011 -0.00094 0.00040 0.00051 0.00040 86 87 88 89 90 A A A A A Frequencies --- 870.0771 875.3591 884.8064 891.5270 922.0961 Reduced masses --- 3.6986 4.0954 5.0922 3.6050 3.7932 Force constants --- 1.6497 1.8489 2.3488 1.6882 1.9003 IR Intensities --- 20.1127 3.6497 16.9793 13.3536 2.6373 Coord Atom Element: 1 1 6 0.01221 0.00671 -0.06287 0.00288 0.00116 2 1 6 -0.00239 0.00245 0.05033 -0.00172 0.00523 3 1 6 0.05040 0.01744 -0.09907 0.00385 0.00486 1 2 6 -0.01217 -0.00251 0.06057 -0.00236 0.00658 2 2 6 0.02680 0.00320 0.00512 -0.00271 -0.00855 3 2 6 0.00473 -0.00808 -0.14451 0.00575 -0.02564 1 3 6 0.04045 0.00205 -0.15824 0.00208 -0.00149 2 3 6 0.01253 0.00714 -0.01613 0.00044 0.00972 3 3 6 -0.00258 -0.00531 0.00220 -0.00094 -0.00634 1 4 6 -0.00206 -0.00136 -0.02142 0.00090 -0.00275 2 4 6 -0.01628 -0.00994 -0.00578 0.00002 -0.00906 3 4 6 0.01686 0.00763 -0.02474 0.00098 0.00706 1 5 6 0.09667 0.03275 -0.20418 0.00794 0.00755 2 5 6 -0.00136 -0.00415 0.11380 -0.00507 -0.00284 3 5 6 0.01807 0.00617 -0.08567 0.00355 -0.00239 1 6 1 0.08032 0.01723 -0.09344 -0.00258 0.01412 2 6 1 0.00160 0.00344 -0.08355 0.00374 0.00796 3 6 1 0.03538 0.01000 0.00468 -0.00280 0.01068 1 7 1 -0.03181 -0.00650 0.13082 -0.00358 -0.00554 2 7 1 -0.02326 -0.01593 -0.15697 0.00461 -0.01059 3 7 1 -0.01317 -0.00092 0.00146 0.00036 0.00305 1 8 1 -0.24493 -0.07622 -0.03962 0.00287 -0.02435 2 8 1 -0.21363 -0.07194 0.22785 -0.00872 -0.02234 3 8 1 0.19023 0.05030 -0.31321 0.01097 -0.01363 1 9 1 -0.05826 -0.04804 0.03677 -0.00788 -0.02928 2 9 1 0.02032 -0.00838 -0.06071 -0.00194 -0.02086 3 9 1 0.05073 0.01113 -0.38579 0.01653 -0.02329 1 10 8 -0.03810 -0.01648 0.10602 -0.00485 -0.00605 2 10 8 0.01437 0.01195 -0.06942 0.00395 0.01147 3 10 8 -0.04911 -0.00981 0.24122 -0.00858 0.01043 1 11 8 -0.00280 0.00897 0.10569 -0.00022 0.00045 2 11 8 -0.03044 -0.02175 0.00375 -0.00218 -0.01551 3 11 8 0.00564 0.00711 -0.01233 0.00118 0.01026 1 12 8 -0.00193 -0.00039 0.01149 -0.00037 -0.00002 2 12 8 -0.00014 0.00189 -0.00705 0.00070 0.00194 3 12 8 0.00501 0.00450 -0.02450 0.00148 0.00485 1 13 1 -0.02409 0.00355 0.12580 -0.00160 0.01076 2 13 1 0.03164 -0.00146 -0.14821 0.00281 -0.00884 3 13 1 0.03737 -0.00039 -0.18593 0.00337 -0.00941 1 14 8 -0.01684 -0.00265 0.07787 -0.00248 0.00272 2 14 8 -0.00210 -0.00146 -0.00015 -0.00031 0.00016 3 14 8 -0.01659 -0.00407 0.05327 -0.00174 0.00060 1 15 1 -0.06773 -0.02151 0.14579 -0.00437 -0.01176 2 15 1 0.01915 0.00586 -0.02411 0.00024 0.00269 3 15 1 -0.05331 -0.01817 0.10165 -0.00314 -0.01221 1 16 6 -0.01376 -0.00636 0.03385 -0.00159 -0.00314 2 16 6 0.03681 0.00777 -0.08152 0.00266 -0.00182 3 16 6 -0.03118 -0.00548 0.07428 -0.00211 0.00470 1 17 8 -0.00570 -0.00184 0.00593 -0.00018 -0.00078 2 17 8 -0.02192 -0.00768 0.02719 -0.00106 -0.00286 3 17 8 -0.00581 -0.00370 -0.00564 -0.00001 -0.00330 1 18 8 -0.01230 -0.00459 0.03215 -0.00124 -0.00038 2 18 8 -0.01268 -0.00306 0.02637 -0.00065 0.00008 3 18 8 0.00163 -0.00105 -0.00619 -0.00001 -0.00150 1 19 6 0.02078 0.00779 -0.02987 0.00119 0.00289 2 19 6 0.00365 0.00128 -0.00557 0.00020 0.00028 3 19 6 -0.00232 -0.00081 0.00172 -0.00008 -0.00033 1 20 1 0.01339 0.00626 -0.02561 0.00125 0.00363 2 20 1 0.01238 0.00454 -0.01430 0.00064 0.00227 3 20 1 0.00813 0.00241 -0.00691 0.00019 0.00065 1 21 1 -0.00703 -0.00185 -0.00521 0.00028 -0.00127 2 21 1 0.00180 0.00083 -0.00402 0.00016 0.00034 3 21 1 0.01083 0.00337 -0.00820 0.00028 0.00102 1 22 1 0.03288 0.01318 -0.04088 0.00188 0.00701 2 22 1 0.01984 0.00775 -0.01842 0.00089 0.00410 3 22 1 -0.00175 -0.00042 0.00098 -0.00002 0.00018 1 23 6 -0.00908 0.00541 -0.16323 0.01202 0.00296 2 23 6 -0.14372 -0.01771 -0.02741 0.00059 0.04768 3 23 6 -0.03540 -0.01778 0.07121 -0.00565 -0.02863 1 24 6 0.06803 0.10825 0.05815 0.03885 0.03196 2 24 6 0.09582 0.08877 0.04173 0.01968 0.16330 3 24 6 0.11600 -0.04172 0.06065 -0.02730 0.04722 1 25 6 0.03170 0.00587 -0.00023 -0.00002 -0.01159 2 25 6 -0.10402 -0.08370 -0.04792 -0.01288 0.05753 3 25 6 0.12526 0.09362 0.05628 0.01834 -0.00597 1 26 6 -0.00250 -0.10411 -0.00440 -0.03089 -0.08717 2 26 6 0.08915 -0.03305 0.07217 -0.01611 -0.08112 3 26 6 -0.08220 -0.00145 -0.05975 0.00650 0.03824 1 27 6 -0.00241 0.04077 0.01050 0.01128 0.02872 2 27 6 0.04276 0.07905 -0.05111 0.01925 0.05594 3 27 6 0.05066 0.04488 -0.00735 0.00901 0.02590 1 28 1 0.05455 -0.01141 -0.18911 0.00761 -0.08970 2 28 1 -0.26181 -0.05538 -0.11360 -0.00497 0.08840 3 28 1 0.11919 -0.00593 0.11664 -0.00652 -0.14955 1 29 1 -0.12553 -0.04764 -0.14075 -0.00203 0.03312 2 29 1 -0.30838 -0.16791 -0.17644 -0.02331 0.03017 3 29 1 0.12933 0.09147 0.07777 0.01587 -0.04157 1 30 1 -0.18731 -0.31695 -0.08759 -0.07615 -0.14161 2 30 1 0.11246 0.00851 0.08509 -0.00679 -0.06609 3 30 1 -0.19607 -0.08114 -0.10690 -0.00802 0.03114 1 31 1 0.00453 0.09190 0.05653 0.02173 0.06802 2 31 1 -0.06021 0.07019 -0.09633 0.02289 0.09240 3 31 1 0.20290 0.05546 0.05133 0.00320 -0.02889 1 32 1 0.13694 0.13434 0.07846 0.05161 0.11907 2 32 1 0.29840 0.25083 0.14744 0.06300 0.32336 3 32 1 -0.01929 -0.14914 -0.00778 -0.05748 -0.05866 1 33 8 -0.10332 -0.08485 -0.03377 -0.01985 0.00753 2 33 8 0.13916 0.00343 0.05184 -0.00585 -0.10760 3 33 8 -0.07614 -0.03223 -0.05811 -0.00034 0.01665 1 34 8 0.01821 0.10698 0.00629 0.02563 0.00998 2 34 8 -0.09243 0.15179 -0.01375 0.02278 0.03196 3 34 8 -0.01241 -0.02718 -0.00849 -0.00773 -0.03144 1 35 8 0.01097 0.00369 0.00628 0.00064 0.01549 2 35 8 -0.04620 -0.01404 -0.02461 -0.00298 -0.06684 3 35 8 -0.05760 -0.02903 -0.02905 -0.00629 -0.04133 1 36 1 0.00765 0.00113 0.00663 0.00070 0.01537 2 36 1 -0.07050 -0.01653 -0.02215 0.00146 -0.03348 3 36 1 -0.10825 -0.07342 -0.03711 -0.01366 -0.06798 1 37 8 0.00088 0.00834 0.00123 0.00226 0.00533 2 37 8 -0.02845 -0.01803 -0.01197 -0.00385 0.00173 3 37 8 -0.01721 -0.02978 0.01104 -0.00788 -0.01553 1 38 1 -0.00076 0.02755 -0.00573 0.00846 0.02342 2 38 1 -0.05067 0.07304 -0.03547 0.02832 0.10310 3 38 1 -0.03712 0.07788 -0.00144 0.02647 0.09559 1 39 6 0.02797 0.01222 0.11575 -0.00356 -0.02275 2 39 6 -0.05525 -0.00956 0.06134 -0.00317 0.05047 3 39 6 -0.00478 0.01333 -0.04366 0.00324 0.00728 1 40 8 0.01842 0.00013 -0.02854 0.00161 -0.01842 2 40 8 0.03245 -0.00642 -0.01288 -0.00025 -0.00734 3 40 8 0.07111 -0.00683 -0.01223 0.00081 -0.04904 1 41 8 -0.00018 0.00521 -0.01970 0.00121 0.00732 2 41 8 -0.00981 0.00816 -0.00588 0.00088 0.00064 3 41 8 -0.00293 0.01932 0.02927 0.00091 0.01146 1 42 6 -0.04303 -0.00582 0.01116 -0.00152 0.03299 2 42 6 0.06295 0.00641 -0.01924 0.00209 -0.04668 3 42 6 -0.03388 -0.00657 0.01178 -0.00172 0.02712 1 43 1 -0.01658 -0.00944 0.01235 -0.00113 0.01467 2 43 1 0.01092 0.02272 -0.00565 0.00211 -0.01065 3 43 1 -0.02870 -0.00523 0.01480 -0.00147 0.02319 1 44 1 -0.02438 -0.01238 -0.00143 -0.00116 0.01953 2 44 1 0.01949 0.02135 0.01474 0.00130 -0.01559 3 44 1 -0.03493 -0.00300 -0.00067 -0.00104 0.02713 1 45 1 -0.07719 0.01050 0.03382 -0.00083 0.05272 2 45 1 0.09437 -0.00687 -0.02504 0.00123 -0.06518 3 45 1 -0.08506 0.01613 0.02371 -0.00048 0.05724 1 46 6 0.01600 -0.09983 0.00434 0.12490 0.10780 2 46 6 0.06219 -0.17678 0.01103 0.11901 -0.05255 3 46 6 0.01867 0.01389 0.00216 -0.09670 -0.11954 1 47 6 0.02264 -0.02254 0.00270 -0.04459 0.00751 2 47 6 -0.02080 0.03708 -0.00204 0.01782 -0.02474 3 47 6 0.01432 -0.03673 -0.00074 -0.04121 0.13071 1 48 6 -0.03055 0.06650 -0.00256 -0.01000 -0.07065 2 48 6 -0.09456 0.14709 -0.00170 0.16197 -0.12429 3 48 6 -0.01297 0.04204 -0.00153 -0.02210 -0.07373 1 49 6 -0.02058 -0.02806 -0.01453 -0.13615 -0.07661 2 49 6 0.04305 -0.06606 -0.00089 -0.12878 0.06370 3 49 6 -0.02067 0.06377 0.00594 0.13032 -0.02624 1 50 6 -0.03879 0.05989 -0.00239 -0.01472 0.05103 2 50 6 0.05345 -0.07427 0.00411 -0.06821 -0.08261 3 50 6 -0.03540 0.11407 -0.01000 -0.16788 0.07772 1 51 1 0.05285 -0.24059 0.00977 0.27929 0.07584 2 51 1 0.07838 -0.19712 0.01540 0.10824 -0.07551 3 51 1 0.09304 -0.20943 0.01701 0.10592 -0.18874 1 52 1 -0.02924 0.11110 0.00337 0.08325 -0.16629 2 52 1 -0.11851 0.17512 -0.00499 0.15912 -0.16604 3 52 1 -0.09636 0.20154 -0.00514 0.08791 -0.33622 1 53 1 0.08447 -0.20176 -0.01635 -0.34888 -0.13496 2 53 1 -0.00512 0.00030 0.00088 0.01192 0.11634 3 53 1 -0.01210 0.02613 0.00748 0.19892 0.03441 1 54 1 -0.17541 0.20143 -0.02373 0.07717 0.02806 2 54 1 -0.04775 0.09297 -0.02130 -0.19257 0.06063 3 54 1 0.04479 0.10713 -0.00880 -0.47224 0.29020 1 55 1 0.05685 -0.11233 0.00522 -0.00935 0.03111 2 55 1 0.04608 -0.05395 -0.00059 -0.14509 0.14929 3 55 1 0.04962 -0.04086 -0.00185 -0.24922 0.28384 1 56 8 -0.01280 0.02070 -0.00119 0.01846 -0.06051 2 56 8 -0.00626 0.02919 -0.00142 -0.03873 0.02382 3 56 8 0.02943 -0.08564 0.00527 0.10555 -0.02627 1 57 8 0.03023 -0.06248 0.00139 -0.01283 0.05423 2 57 8 0.04171 -0.08596 0.00179 -0.02740 0.09550 3 57 8 -0.00385 0.01264 -0.00054 -0.00654 -0.01782 1 58 1 0.03197 -0.03678 0.00382 -0.02089 -0.00957 2 58 1 0.04123 -0.05405 0.00257 -0.06280 -0.06683 3 58 1 -0.00366 0.02251 0.00063 -0.00319 -0.01918 1 59 8 0.00778 0.00007 0.00376 0.04624 -0.00744 2 59 8 0.00491 -0.01261 -0.00169 -0.03682 0.00174 3 59 8 -0.00551 0.00655 -0.00146 -0.01936 -0.00476 1 60 1 0.09116 -0.16497 0.00919 0.00143 0.21043 2 60 1 0.00079 -0.00667 -0.00273 -0.02928 -0.03717 3 60 1 -0.03430 0.06370 -0.00317 -0.00608 -0.07042 1 61 8 0.00820 -0.01151 0.00175 0.02419 0.02527 2 61 8 -0.00417 -0.00608 0.00165 0.04900 -0.00103 3 61 8 0.01043 -0.02991 0.00544 0.07678 0.02843 1 62 1 0.03584 -0.08355 0.00608 -0.09160 0.03680 2 62 1 0.00026 -0.03866 -0.01396 -0.02938 0.00231 3 62 1 0.06358 -0.21742 -0.01994 -0.28911 0.05178 1 63 6 -0.00400 0.02819 -0.00180 -0.04156 -0.02867 2 63 6 -0.02365 0.11080 -0.00578 -0.14948 -0.10341 3 63 6 0.02386 -0.06775 0.00581 0.05812 0.00165 1 64 8 0.00903 -0.00922 0.00056 -0.03110 -0.06679 2 64 8 -0.00512 -0.00908 -0.00055 0.03503 0.03470 3 64 8 -0.01764 0.02653 -0.00290 0.00712 0.02756 1 65 8 0.00157 0.00920 -0.00086 -0.02780 -0.03641 2 65 8 0.00117 -0.03447 -0.00071 0.04254 0.02813 3 65 8 -0.00808 0.01216 -0.00204 -0.00710 0.00627 1 66 6 -0.00908 -0.00041 -0.00010 0.05045 0.08399 2 66 6 -0.00203 0.00140 -0.00025 0.00473 0.01042 3 66 6 -0.00648 0.00837 -0.00087 0.00940 0.02517 1 67 1 -0.01035 -0.00158 -0.00116 0.04466 0.06427 2 67 1 0.00319 -0.00816 0.00039 -0.00044 -0.00852 3 67 1 0.00330 -0.00705 0.00070 0.00015 0.00061 1 68 1 0.01302 -0.03663 0.00276 0.02889 0.01609 2 68 1 0.00632 -0.01423 0.00115 0.00286 -0.00236 3 68 1 0.00871 -0.01636 0.00120 -0.00407 -0.01881 1 69 1 -0.03587 0.03866 -0.00557 0.05453 0.11469 2 69 1 -0.00190 -0.00023 -0.00012 0.00917 0.01272 3 69 1 -0.00334 0.00531 -0.00050 0.00182 0.01600 1 70 19 0.00155 0.00016 0.00036 0.00025 0.00062 2 70 19 -0.00051 0.00002 0.00014 0.00002 0.00002 3 70 19 0.00049 0.00022 -0.00006 0.00000 -0.00005 91 92 93 94 95 A A A A A Frequencies --- 934.0291 936.5347 947.2815 964.8628 980.1012 Reduced masses --- 4.2825 3.1322 3.0518 5.8568 2.9911 Force constants --- 2.2012 1.6186 1.6135 3.2125 1.6929 IR Intensities --- 105.1376 34.0091 6.9879 176.9921 13.2257 Coord Atom Element: 1 1 6 0.00468 0.05754 0.01623 -0.04770 0.00351 2 1 6 -0.00130 -0.04457 0.02797 -0.14249 0.00556 3 1 6 0.00348 0.00824 0.03509 -0.15163 0.00632 1 2 6 0.00586 0.02296 0.04272 -0.12315 0.00054 2 2 6 -0.00972 0.00344 -0.04035 0.15814 0.00066 3 2 6 -0.02028 0.15571 -0.04689 0.32165 -0.01596 1 3 6 0.00610 -0.11960 -0.05583 0.00716 0.00697 2 3 6 0.00138 -0.14992 -0.02175 0.09014 -0.00936 3 3 6 -0.00154 0.04468 -0.00449 -0.03178 0.00754 1 4 6 0.00264 0.07548 0.02631 -0.15264 0.01206 2 4 6 -0.00154 0.10955 0.00924 -0.01870 0.00175 3 4 6 0.00145 -0.12328 -0.02752 0.12249 -0.01228 1 5 6 0.00569 -0.03077 0.00710 0.02776 -0.00801 2 5 6 -0.00516 -0.03621 -0.02273 0.04020 0.00346 3 5 6 0.00327 0.10709 0.03206 -0.13036 0.01026 1 6 1 0.01258 -0.32406 -0.07392 -0.08878 0.02161 2 6 1 0.00483 -0.07347 0.00465 0.03018 -0.01303 3 6 1 0.00979 -0.12322 -0.00157 -0.19475 0.02060 1 7 1 -0.00499 0.13074 0.03943 -0.14777 0.01747 2 7 1 -0.00077 0.03621 -0.02066 0.10674 -0.01609 3 7 1 -0.00449 -0.11313 -0.03332 0.19712 -0.01845 1 8 1 0.00229 0.36841 0.05194 -0.18816 0.01638 2 8 1 -0.00773 0.20234 0.00441 -0.09675 0.01885 3 8 1 0.00360 0.27735 0.00331 0.08428 0.00708 1 9 1 -0.00395 0.27199 0.04007 -0.18525 0.00511 2 9 1 -0.00958 0.15074 -0.02283 0.11194 0.00088 3 9 1 -0.00470 0.35948 0.02025 0.21118 -0.02038 1 10 8 -0.00724 -0.04166 -0.03230 0.06878 0.00078 2 10 8 0.01374 0.00280 0.03519 -0.11644 0.00080 3 10 8 0.00126 -0.09167 0.02011 -0.08714 0.00238 1 11 8 -0.01794 0.09229 0.05038 0.07408 -0.01025 2 11 8 -0.00536 0.07127 -0.01858 0.01836 0.00127 3 11 8 0.00753 -0.06077 0.00753 -0.06375 0.00496 1 12 8 0.00048 -0.00011 -0.00132 -0.00757 0.00162 2 12 8 0.00259 0.02245 0.01732 -0.05896 0.00154 3 12 8 0.00467 -0.00684 0.01533 -0.05888 0.00020 1 13 1 0.00125 0.02100 0.05195 -0.03752 -0.00918 2 13 1 0.00321 -0.02681 -0.05058 -0.02145 0.01461 3 13 1 0.00422 -0.04198 -0.05875 -0.01945 0.01511 1 14 8 -0.00320 -0.05674 -0.01820 0.12372 -0.00937 2 14 8 0.00043 -0.01443 -0.00431 -0.00349 0.00087 3 14 8 -0.00223 -0.02590 -0.00969 0.06121 -0.00434 1 15 1 -0.00380 0.22600 0.05316 -0.20253 0.02107 2 15 1 0.00049 -0.06085 -0.01955 0.07453 -0.00531 3 15 1 -0.00255 0.22710 0.05263 -0.22221 0.02258 1 16 6 -0.00291 -0.00806 -0.01360 0.05664 -0.00239 2 16 6 -0.00123 0.02387 0.01282 -0.07401 0.00443 3 16 6 0.00031 -0.03873 0.01377 -0.07113 0.00172 1 17 8 0.00068 0.00628 -0.01411 0.08287 -0.00414 2 17 8 -0.00061 0.00700 -0.02054 0.09632 -0.00395 3 17 8 -0.00084 0.01567 -0.01371 0.06038 -0.00193 1 18 8 -0.00053 -0.01210 -0.00709 0.02347 -0.00108 2 18 8 -0.00035 -0.00673 -0.00858 0.04203 -0.00203 3 18 8 -0.00023 0.00588 -0.00831 0.03691 -0.00151 1 19 6 0.00007 -0.00628 0.02764 -0.13778 0.00615 2 19 6 -0.00018 -0.00050 0.00515 -0.02710 0.00135 3 19 6 0.00010 0.00057 -0.00307 0.01510 -0.00073 1 20 1 0.00136 -0.00436 0.02383 -0.11267 0.00450 2 20 1 0.00021 -0.00913 0.01401 -0.06758 0.00254 3 20 1 -0.00037 -0.00600 0.00607 -0.03167 0.00132 1 21 1 0.00035 0.01477 -0.00634 0.02981 -0.00073 2 21 1 0.00001 0.00019 0.00516 -0.02698 0.00135 3 21 1 -0.00028 -0.00807 0.00605 -0.02928 0.00101 1 22 1 0.00186 -0.01774 0.04517 -0.21354 0.00858 2 22 1 0.00118 -0.01394 0.02221 -0.10616 0.00422 3 22 1 0.00036 -0.00062 -0.00069 0.00550 -0.00046 1 23 6 -0.00132 -0.09494 -0.00519 -0.02727 0.01053 2 23 6 0.06144 -0.00599 -0.01631 0.00655 0.00192 3 23 6 -0.09727 0.04362 0.19001 0.09353 -0.02077 1 24 6 0.03230 0.02112 -0.05805 -0.03451 0.04267 2 24 6 0.18856 0.01339 0.07672 0.04820 -0.04939 3 24 6 0.13686 0.02287 -0.05327 -0.03151 -0.05360 1 25 6 -0.04855 -0.02802 0.06560 0.02940 0.00510 2 25 6 0.10278 -0.01035 0.03432 0.00517 -0.04362 3 25 6 -0.03548 0.00691 0.03004 0.03021 0.00076 1 26 6 -0.05379 0.00428 -0.05751 -0.03344 -0.00824 2 26 6 -0.07249 0.02749 -0.08422 -0.02115 0.02760 3 26 6 0.05701 -0.01993 -0.02618 -0.04079 -0.00270 1 27 6 0.02875 0.04369 0.02561 0.03638 -0.01069 2 27 6 0.03278 -0.04488 0.09418 0.01650 -0.02806 3 27 6 0.06847 0.01767 -0.13395 -0.02393 0.02240 1 28 1 -0.12895 -0.11690 0.00815 -0.02524 0.02190 2 28 1 0.16669 0.00192 -0.20098 -0.03588 0.02924 3 28 1 -0.30298 0.01771 0.34733 0.12930 -0.03174 1 29 1 -0.03914 -0.11012 0.24894 0.09095 -0.04556 2 29 1 0.02654 -0.06792 0.13334 0.03809 -0.04542 3 29 1 -0.07327 0.02529 -0.02823 0.00951 0.02798 1 30 1 -0.01569 0.02066 -0.19545 -0.13596 -0.01753 2 30 1 -0.08189 0.02099 -0.04007 0.00266 0.02910 3 30 1 0.07437 -0.02226 -0.05854 -0.08227 0.00031 1 31 1 0.04111 0.10919 0.09625 0.18493 -0.03081 2 31 1 0.01329 -0.09991 0.31652 0.04710 -0.07478 3 31 1 0.10125 0.09043 -0.47246 -0.08798 0.09341 1 32 1 0.15937 0.03466 -0.02899 -0.00253 0.00236 2 32 1 0.40487 0.04347 0.17525 0.11269 -0.13087 3 32 1 -0.00276 0.00355 -0.11786 -0.07434 -0.00116 1 33 8 0.00145 -0.00562 0.02406 0.01471 -0.00311 2 33 8 -0.10223 0.00731 -0.09797 -0.05114 0.02881 3 33 8 0.01650 -0.01940 -0.01180 -0.00469 0.00504 1 34 8 -0.01450 0.00326 -0.00342 0.00540 -0.00345 2 34 8 -0.09074 0.00333 -0.01729 0.00484 0.09773 3 34 8 -0.01042 -0.00480 0.00472 -0.00340 -0.00834 1 35 8 0.02220 0.00194 0.00544 0.00245 -0.00733 2 35 8 -0.10077 -0.01144 -0.01698 -0.01080 0.03271 3 35 8 -0.06016 -0.01218 -0.01697 -0.01485 0.02332 1 36 1 0.03064 0.00696 -0.00616 -0.00288 -0.00920 2 36 1 -0.01126 0.02503 -0.11522 -0.05978 0.02362 3 36 1 -0.01818 0.02943 -0.12948 -0.06614 0.01361 1 37 8 0.00849 -0.00184 -0.01025 -0.01243 0.00276 2 37 8 -0.00848 -0.00971 0.05349 0.01378 -0.01493 3 37 8 -0.03186 -0.00425 0.05837 0.01868 -0.01104 1 38 1 0.02315 0.00056 -0.00243 -0.00164 0.00254 2 38 1 0.06097 0.00844 0.13463 0.09050 -0.01690 3 38 1 0.05131 -0.01511 0.13304 0.02772 -0.01318 1 39 6 -0.02438 0.05614 -0.00113 0.01981 0.00021 2 39 6 0.09307 0.05243 -0.07400 -0.00611 0.00043 3 39 6 0.01464 -0.03105 -0.02471 -0.02277 0.00264 1 40 8 -0.03994 -0.02628 0.03684 -0.00579 -0.00069 2 40 8 -0.00430 0.00426 -0.00086 0.01038 0.00138 3 40 8 -0.09014 -0.01917 0.07894 0.01071 -0.00223 1 41 8 0.01645 -0.01137 -0.02343 -0.01422 0.00201 2 41 8 -0.00050 -0.00832 -0.00130 -0.00381 0.00006 3 41 8 0.03289 0.01140 -0.05337 -0.01626 0.00287 1 42 6 0.06158 0.02193 -0.04833 0.00109 0.00108 2 42 6 -0.08655 -0.03081 0.06968 0.00183 -0.00177 3 42 6 0.05151 0.02235 -0.03935 0.00527 0.00083 1 43 1 0.02456 0.01450 -0.01109 0.00222 -0.00042 2 43 1 -0.01345 -0.01847 -0.01119 -0.01651 0.00209 3 43 1 0.04323 0.01974 -0.03249 0.00177 0.00065 1 44 1 0.03264 0.01325 -0.01551 0.00746 -0.00059 2 44 1 -0.01860 -0.00747 -0.00717 -0.01184 0.00207 3 44 1 0.04741 0.00897 -0.03554 -0.00521 0.00051 1 45 1 0.09903 0.02535 -0.09448 -0.01799 0.00274 2 45 1 -0.11999 -0.02716 0.10788 0.02285 -0.00310 3 45 1 0.10728 0.01802 -0.10436 -0.02770 0.00325 1 46 6 -0.08707 0.00538 -0.02649 -0.01902 -0.10954 2 46 6 0.13235 -0.01111 0.05716 0.03686 0.11221 3 46 6 0.13349 -0.00659 0.03622 0.01611 0.01288 1 47 6 0.04940 -0.00168 0.02882 0.02462 0.15419 2 47 6 -0.02067 0.00086 -0.01915 -0.01944 -0.11317 3 47 6 -0.07878 0.00618 -0.00671 0.00694 0.09069 1 48 6 0.03748 -0.00289 0.00384 -0.00167 -0.02432 2 48 6 0.03067 -0.00425 -0.00592 -0.00583 0.00476 3 48 6 0.04235 -0.00292 0.00048 -0.00853 -0.11312 1 49 6 0.04029 -0.00719 0.01197 0.00247 -0.00140 2 49 6 0.00300 0.00114 0.01305 0.00986 0.01094 3 49 6 0.01074 -0.00105 0.00208 0.00583 0.05712 1 50 6 -0.05741 0.00612 -0.01702 -0.00326 0.05913 2 50 6 0.03369 -0.00020 -0.01722 -0.02699 -0.13226 3 50 6 -0.06131 0.00495 -0.00551 0.00557 0.03452 1 51 1 -0.07250 0.00046 -0.02787 -0.02922 -0.19898 2 51 1 0.18730 -0.01176 0.07374 0.04847 0.15396 3 51 1 0.23931 -0.01427 0.06385 0.02529 -0.01487 1 52 1 0.06248 -0.00423 -0.01763 -0.03192 -0.26311 2 52 1 0.05341 -0.00684 -0.00091 -0.00397 0.01524 3 52 1 0.14719 -0.01322 -0.01014 -0.04088 -0.37735 1 53 1 0.08764 -0.00978 0.00147 -0.03058 -0.31694 2 53 1 -0.03550 0.00267 0.01721 0.02719 0.17290 3 53 1 -0.02566 -0.00043 0.00129 0.01008 0.08027 1 54 1 -0.11745 0.00392 -0.01876 0.01280 0.23349 2 54 1 -0.16543 0.01217 -0.07644 -0.05520 -0.23043 3 54 1 -0.22873 0.02463 -0.08307 -0.05853 -0.35891 1 55 1 0.05297 -0.00376 0.03941 0.03471 0.19479 2 55 1 -0.07902 0.00917 -0.01302 -0.00412 -0.02161 3 55 1 -0.13728 0.01646 -0.00816 0.01506 0.15451 1 56 8 0.02476 -0.00324 0.00125 -0.00286 -0.03383 2 56 8 -0.02776 0.00321 -0.01106 -0.00708 -0.01608 3 56 8 0.02856 -0.00397 0.00947 0.00429 0.02337 1 57 8 -0.02502 0.00183 -0.00131 0.00179 0.01368 2 57 8 -0.04240 0.00340 0.00016 0.00699 0.05200 3 57 8 0.00694 -0.00050 -0.00133 -0.00301 -0.02467 1 58 1 0.04592 -0.00146 0.01870 0.01313 0.04771 2 58 1 0.10477 -0.00703 0.03868 0.02231 0.09714 3 58 1 0.01511 -0.00007 0.00160 0.00021 -0.01574 1 59 8 -0.00104 0.00052 -0.00651 -0.00721 -0.06328 2 59 8 0.00476 -0.00045 0.00362 0.00238 0.00470 3 59 8 0.00973 -0.00076 0.00637 0.00611 0.04315 1 60 1 -0.09638 0.00847 -0.00179 0.01241 0.19615 2 60 1 0.03170 -0.00300 0.00547 -0.00049 -0.00580 3 60 1 0.03561 -0.00289 0.00444 0.00033 -0.04243 1 61 8 -0.02020 0.00179 -0.00716 -0.00455 -0.01226 2 61 8 -0.01301 0.00102 -0.00832 -0.00665 -0.02703 3 61 8 -0.03026 0.00355 -0.01444 -0.01008 -0.02999 1 62 1 -0.01370 0.00512 0.00454 0.00543 -0.03842 2 62 1 -0.00314 -0.00779 0.00206 -0.00515 -0.02390 3 62 1 0.00433 -0.00884 0.02812 0.01173 -0.06759 1 63 6 0.02387 -0.00084 0.00553 0.00216 0.00451 2 63 6 0.08101 -0.00440 0.02091 0.01087 0.03944 3 63 6 0.03967 -0.00280 0.01965 0.01338 0.05630 1 64 8 0.07936 -0.00606 0.02917 0.01952 0.08100 2 64 8 -0.04016 0.00211 -0.01181 -0.00582 -0.01281 3 64 8 -0.04492 0.00246 -0.01447 -0.00694 -0.01200 1 65 8 0.03046 -0.00217 0.00845 0.00449 0.02458 2 65 8 -0.03158 0.00090 -0.00874 -0.00564 -0.01699 3 65 8 -0.02077 0.00099 -0.00842 -0.00647 -0.02412 1 66 6 -0.09170 0.00674 -0.03142 -0.01977 -0.08313 2 66 6 -0.01141 0.00082 -0.00354 -0.00179 -0.00650 3 66 6 -0.03221 0.00221 -0.01104 -0.00638 -0.02219 1 67 1 -0.08178 0.00498 -0.02804 -0.01661 -0.06472 2 67 1 0.01140 -0.00104 0.00441 0.00291 0.00898 3 67 1 0.00439 -0.00028 0.00185 0.00068 -0.00321 1 68 1 0.00111 0.00015 0.00189 0.00036 -0.02293 2 68 1 0.01037 -0.00073 0.00426 0.00217 0.00373 3 68 1 0.02925 -0.00208 0.01094 0.00671 0.01629 1 69 1 -0.16337 0.01004 -0.05631 -0.03263 -0.10045 2 69 1 -0.01491 0.00108 -0.00528 -0.00320 -0.01367 3 69 1 -0.01689 0.00123 -0.00486 -0.00218 -0.00741 1 70 19 0.00021 -0.00024 0.00025 -0.00088 -0.00061 2 70 19 0.00041 0.00009 -0.00029 0.00000 0.00019 3 70 19 0.00001 0.00027 0.00023 0.00090 0.00012 96 97 98 99 100 A A A A A Frequencies --- 1020.3528 1025.9973 1039.7742 1041.6402 1047.2004 Reduced masses --- 2.6583 4.8613 3.2422 6.4197 3.3005 Force constants --- 1.6306 3.0151 2.0652 4.1039 2.1325 IR Intensities --- 50.2788 178.1455 23.1973 265.5409 314.9980 Coord Atom Element: 1 1 6 0.04863 0.01811 -0.00032 0.00728 0.00043 2 1 6 -0.07855 -0.12548 0.00827 -0.01923 -0.00075 3 1 6 -0.03742 -0.08274 0.00622 -0.01089 -0.00013 1 2 6 -0.04543 0.16306 -0.04342 -0.00042 -0.04086 2 2 6 0.17006 -0.08661 0.03441 -0.03073 0.01485 3 2 6 -0.08261 -0.13208 0.01896 -0.05945 -0.00245 1 3 6 0.03822 -0.09176 0.02831 0.01865 0.03379 2 3 6 -0.04325 -0.01761 0.00764 -0.00989 0.00560 3 3 6 0.08229 -0.02987 0.01343 0.00971 0.01400 1 4 6 0.02007 -0.08768 0.01307 0.00579 0.01318 2 4 6 -0.00136 0.09843 -0.01906 0.01700 -0.00878 3 4 6 -0.11012 0.07695 -0.01531 0.01176 -0.00179 1 5 6 -0.06342 0.12097 -0.02269 0.01816 -0.00979 2 5 6 0.05624 -0.10977 0.02275 -0.01465 0.01166 3 5 6 0.07425 -0.06305 0.01203 -0.00337 0.00454 1 6 1 0.32321 -0.13340 0.05534 0.04594 0.05349 2 6 1 -0.21014 0.02820 -0.01604 -0.01677 -0.01154 3 6 1 0.25164 -0.03538 0.02191 0.03465 0.01997 1 7 1 0.17943 -0.17198 0.03781 -0.01972 0.01850 2 7 1 -0.31701 0.21249 -0.05971 0.03284 -0.02512 3 7 1 -0.17940 0.07483 -0.02003 0.00103 -0.00700 1 8 1 0.14282 -0.00939 0.00872 -0.00809 -0.00084 2 8 1 0.17586 -0.21074 0.04450 -0.03481 0.01773 3 8 1 0.43215 0.28631 -0.00860 0.05591 0.00119 1 9 1 -0.19540 0.32278 -0.08237 0.00729 -0.06160 2 9 1 0.11073 0.07487 0.00096 -0.01630 -0.00514 3 9 1 -0.10536 0.25695 -0.04900 -0.01540 -0.04312 1 10 8 -0.00864 -0.13573 0.02338 -0.02268 0.01225 2 10 8 0.01488 0.19969 -0.03075 0.04762 -0.00815 3 10 8 0.02146 0.07815 -0.01426 0.02475 -0.00469 1 11 8 -0.05486 -0.03283 -0.02649 -0.04329 -0.04969 2 11 8 -0.08664 -0.00213 -0.00071 0.01281 0.01254 3 11 8 0.05748 0.01590 0.00190 0.01599 0.00597 1 12 8 0.02129 -0.00736 0.00475 0.00476 0.00616 2 12 8 -0.02102 0.01976 -0.00879 0.00129 -0.00785 3 12 8 -0.04483 0.02585 -0.01065 0.00397 -0.00738 1 13 1 -0.09383 0.13427 -0.04470 -0.02244 -0.05092 2 13 1 0.13124 -0.18077 0.05688 0.02642 0.06224 3 13 1 0.11324 -0.17309 0.05803 0.04024 0.07117 1 14 8 -0.00301 0.05805 -0.00828 -0.00747 -0.01057 2 14 8 0.00845 -0.00950 0.00279 0.00131 0.00264 3 14 8 -0.00106 0.02117 -0.00268 -0.00471 -0.00431 1 15 1 0.20385 -0.08474 0.01961 -0.00605 0.00514 2 15 1 -0.02951 -0.01145 0.00180 -0.00883 -0.00090 3 15 1 0.17987 -0.12471 0.02478 -0.00862 0.00990 1 16 6 0.01417 0.03570 -0.00052 0.00511 0.00331 2 16 6 -0.04889 -0.12233 0.01083 -0.02791 -0.00194 3 16 6 -0.07263 -0.07099 0.00059 -0.01766 -0.00614 1 17 8 0.07660 0.13625 -0.01302 0.03454 0.00071 2 17 8 0.04663 0.08031 -0.00553 0.01680 0.00182 3 17 8 0.02560 0.02763 0.00005 0.00425 0.00206 1 18 8 -0.01583 -0.01265 0.00067 -0.00638 -0.00135 2 18 8 0.01361 0.03525 -0.00417 0.00675 -0.00100 3 18 8 0.02012 0.02939 -0.00174 0.00583 0.00077 1 19 6 -0.08470 -0.15177 0.01280 -0.03502 -0.00183 2 19 6 -0.01942 -0.03652 0.00404 -0.00931 0.00045 3 19 6 0.00510 0.01318 -0.00090 0.00245 0.00038 1 20 1 -0.07103 -0.11170 0.00600 -0.02481 -0.00518 2 20 1 -0.04346 -0.06548 0.00258 -0.01391 -0.00393 3 20 1 -0.01977 -0.03381 0.00257 -0.00731 -0.00050 1 21 1 0.00673 -0.00715 0.00343 -0.00479 0.00161 2 21 1 -0.01867 -0.03525 0.00386 -0.00893 0.00037 3 21 1 -0.01890 -0.02701 0.00124 -0.00581 -0.00123 1 22 1 -0.10434 -0.17155 0.00847 -0.03361 -0.00729 2 22 1 -0.05534 -0.08688 0.00383 -0.01724 -0.00432 3 22 1 0.00505 0.01563 -0.00198 0.00413 -0.00021 1 23 6 0.03929 -0.03185 -0.00997 0.21885 0.04309 2 23 6 0.04218 -0.00003 0.04617 -0.03889 0.04925 3 23 6 -0.01773 -0.02670 0.02940 0.19220 0.09198 1 24 6 0.00294 0.06276 0.01042 0.07459 0.05415 2 24 6 -0.00145 -0.03638 0.01298 -0.05668 -0.00062 3 24 6 -0.01412 0.04234 0.04564 -0.06093 0.02412 1 25 6 0.04264 -0.03938 -0.10719 0.06415 -0.12619 2 25 6 0.01089 0.01075 0.00430 -0.00934 -0.00258 3 25 6 0.00240 -0.03641 -0.00105 0.02069 0.01749 1 26 6 -0.03870 0.03458 0.11819 -0.04381 0.13232 2 26 6 0.00022 -0.01808 -0.03718 0.02782 -0.03064 3 26 6 -0.02332 0.04196 0.02879 -0.09965 0.01317 1 27 6 -0.00972 0.01746 0.03562 0.01456 0.05606 2 27 6 -0.00217 0.01368 0.01254 -0.06693 -0.01435 3 27 6 0.01984 -0.01861 -0.03447 0.02297 -0.03413 1 28 1 0.02756 -0.06844 -0.03791 0.30570 0.03523 2 28 1 0.03684 -0.01283 0.03579 -0.16374 0.02094 3 28 1 -0.02642 -0.05379 0.00636 0.35564 0.09657 1 29 1 0.06141 -0.10280 -0.21213 -0.07425 -0.34314 2 29 1 0.04345 -0.04865 -0.10054 -0.00452 -0.15218 3 29 1 0.00406 -0.02454 0.01163 0.08696 0.06690 1 30 1 -0.09270 0.18457 0.27662 0.00664 0.36786 2 30 1 0.01012 -0.05671 -0.06658 0.02819 -0.07353 3 30 1 -0.05140 0.07838 0.09565 -0.05751 0.11602 1 31 1 -0.00925 -0.08644 0.03204 -0.03702 0.02972 2 31 1 0.01087 0.06047 0.11414 -0.00982 0.12371 3 31 1 0.00505 -0.07357 -0.18224 -0.05406 -0.23176 1 32 1 -0.02046 0.01531 -0.00922 -0.10394 0.02056 2 32 1 0.01730 -0.06367 0.11094 0.06191 0.17838 3 32 1 -0.02424 0.06374 -0.01302 -0.12739 -0.08794 1 33 8 -0.00068 -0.02909 -0.03138 -0.08668 -0.06457 2 33 8 -0.01473 0.02199 -0.02935 -0.02315 -0.03799 3 33 8 0.00332 -0.02056 -0.03647 -0.09962 -0.07498 1 34 8 -0.01435 -0.01658 0.00650 -0.06712 -0.00666 2 34 8 -0.00458 -0.00701 -0.04695 -0.03625 -0.01081 3 34 8 0.00849 0.00681 0.01162 0.05603 0.00230 1 35 8 0.00268 -0.00240 -0.00568 0.00048 -0.00591 2 35 8 0.00526 -0.00057 -0.03032 0.02200 -0.03505 3 35 8 0.00531 0.00648 -0.02867 0.00695 -0.03977 1 36 1 -0.00839 0.00711 0.02367 -0.02030 0.02571 2 36 1 -0.07226 0.07852 0.17266 -0.12047 0.20230 3 36 1 -0.09252 0.09009 0.22062 -0.17684 0.22002 1 37 8 -0.00200 -0.00241 -0.00413 -0.00548 -0.00492 2 37 8 -0.00321 0.00444 0.03420 0.01064 0.04030 3 37 8 0.00208 -0.00194 0.02361 0.02791 0.03279 1 38 1 0.00228 -0.00139 -0.02800 -0.00311 -0.03306 2 38 1 0.07826 0.02697 -0.13283 0.04345 -0.15585 3 38 1 0.03052 0.02691 -0.12128 0.05989 -0.13096 1 39 6 -0.01254 0.01432 0.01711 -0.06096 0.00809 2 39 6 -0.01689 -0.00123 -0.01928 0.00574 -0.01969 3 39 6 0.01106 0.00548 0.00004 -0.02527 -0.00830 1 40 8 0.02525 0.03105 0.03316 -0.17608 -0.00384 2 40 8 -0.02843 -0.04656 -0.04514 0.27026 0.01196 3 40 8 0.01757 0.02556 0.03184 -0.13796 0.00443 1 41 8 0.00360 0.00252 -0.00317 -0.01045 -0.00733 2 41 8 0.00439 0.00259 0.00357 -0.00720 0.00247 3 41 8 -0.00254 0.01186 -0.00030 -0.04426 -0.01175 1 42 6 -0.02227 -0.03270 -0.03446 0.17813 0.00251 2 42 6 0.02605 0.03674 0.04044 -0.19465 0.00075 3 42 6 -0.02475 -0.03720 -0.03659 0.20314 0.00648 1 43 1 -0.00821 -0.01251 -0.01653 0.08740 0.00273 2 43 1 0.01905 0.03202 0.02972 -0.19365 -0.01440 3 43 1 -0.01663 -0.02434 -0.02645 0.13825 0.00279 1 44 1 -0.01791 -0.02979 -0.02866 0.16451 0.00695 2 44 1 0.01477 0.02758 0.02629 -0.15060 -0.00736 3 44 1 -0.01025 -0.01430 -0.02151 0.08636 -0.00452 1 45 1 -0.00677 0.00184 -0.01023 -0.02472 -0.01927 2 45 1 0.00958 0.00626 0.02069 -0.02240 0.02051 3 45 1 0.00022 0.01007 -0.00535 -0.06825 -0.02472 1 46 6 0.00742 -0.00550 0.02349 0.02576 -0.06091 2 46 6 0.00453 -0.02003 -0.09998 -0.04641 0.01009 3 46 6 -0.00212 0.00272 0.09808 0.03843 -0.06053 1 47 6 -0.00741 0.01317 -0.02383 -0.01745 0.13464 2 47 6 0.00491 -0.00082 0.05115 0.03677 -0.07261 3 47 6 -0.00818 0.01825 0.13054 0.05560 -0.10912 1 48 6 0.00387 -0.00657 -0.06304 -0.02180 0.04403 2 48 6 -0.00358 0.00984 0.01981 0.00717 0.01762 3 48 6 0.00723 -0.01930 -0.05298 -0.02530 -0.01024 1 49 6 0.01049 -0.01027 -0.09532 -0.01518 0.01012 2 49 6 0.00395 -0.01461 -0.05062 -0.02716 -0.00259 3 49 6 -0.00778 0.00288 0.01180 -0.02194 0.01095 1 50 6 -0.01106 0.02434 0.07846 0.02254 0.03772 2 50 6 -0.00134 0.02208 0.06523 0.04221 0.05068 3 50 6 0.00177 -0.01335 -0.11463 -0.05308 0.05537 1 51 1 0.01569 -0.01293 0.03996 0.05162 -0.13773 2 51 1 -0.00349 -0.01063 -0.02824 -0.03681 0.03306 3 51 1 -0.00450 0.00620 0.22306 0.08011 -0.12787 1 52 1 0.01273 -0.02797 -0.10100 -0.04114 0.02344 2 52 1 -0.00186 0.00979 -0.00179 0.00415 0.04352 3 52 1 0.02520 -0.04665 -0.18532 -0.06024 0.05667 1 53 1 0.02948 -0.03361 -0.16384 -0.01705 0.00888 2 53 1 -0.00367 -0.00820 -0.02296 -0.02922 -0.03170 3 53 1 -0.00392 -0.01109 -0.01272 -0.03633 -0.05626 1 54 1 -0.02723 0.03376 0.14689 0.01040 0.02997 2 54 1 -0.00601 0.01757 0.08162 0.01874 0.06265 3 54 1 0.02061 -0.02866 -0.19112 -0.05521 0.08500 1 55 1 -0.00625 0.00350 -0.07315 -0.04337 0.11660 2 55 1 -0.00191 0.00859 0.12447 0.05963 -0.09070 3 55 1 -0.01697 0.03763 0.25983 0.10591 -0.11624 1 56 8 0.00105 -0.00211 0.05932 0.02882 -0.11693 2 56 8 -0.00136 0.00674 0.01304 0.00645 0.03828 3 56 8 0.00336 -0.00760 -0.11141 -0.04629 0.09740 1 57 8 0.00000 -0.00169 -0.00839 -0.00553 -0.00793 2 57 8 -0.00284 0.00183 0.01412 0.00015 -0.02506 3 57 8 0.00108 -0.00106 0.00921 0.00605 -0.01451 1 58 1 -0.00022 -0.00715 -0.12111 -0.06308 0.16807 2 58 1 0.00293 -0.01179 -0.24199 -0.11408 0.30503 3 58 1 -0.00041 -0.00135 0.00099 -0.00217 0.01400 1 59 8 0.00132 -0.00667 0.00599 -0.00383 -0.02678 2 59 8 0.00106 -0.00242 -0.01520 -0.00531 0.00628 3 59 8 -0.00111 0.00227 -0.01833 -0.00758 0.03067 1 60 1 -0.01457 0.04914 0.20181 0.10362 -0.02344 2 60 1 0.00313 -0.00231 -0.04051 -0.01198 0.03923 3 60 1 0.00375 -0.01696 -0.07903 -0.04291 0.02083 1 61 8 -0.00097 0.00479 0.02763 0.01423 -0.00555 2 61 8 -0.00007 0.00514 0.02654 0.01787 -0.00601 3 61 8 -0.00167 0.01208 0.05972 0.03526 -0.01092 1 62 1 0.00339 -0.01343 -0.03731 -0.01799 -0.02003 2 62 1 0.01097 -0.01359 -0.05418 -0.00426 -0.02925 3 62 1 0.02827 -0.06017 -0.22493 -0.07286 -0.08247 1 63 6 -0.00055 -0.00076 -0.00702 -0.00620 0.02409 2 63 6 -0.00469 0.00889 0.09179 0.03663 -0.06441 3 63 6 0.00166 -0.00134 0.00505 0.00970 -0.04814 1 64 8 -0.00350 0.00444 0.06958 0.02969 -0.09873 2 64 8 0.00021 0.00002 -0.01188 -0.00469 0.00893 3 64 8 -0.00132 0.00272 0.01016 0.00322 -0.00502 1 65 8 -0.00100 0.00091 -0.02033 -0.01148 0.03950 2 65 8 0.00173 -0.00158 -0.02223 -0.00678 0.01395 3 65 8 0.00059 0.00040 -0.00974 -0.00343 0.02285 1 66 6 0.00348 -0.00490 -0.06151 -0.02600 0.08146 2 66 6 -0.00002 -0.00040 -0.00498 -0.00305 0.00729 3 66 6 0.00020 -0.00030 -0.01336 -0.00670 0.02147 1 67 1 0.00135 -0.00231 -0.03868 -0.01844 0.04935 2 67 1 -0.00017 0.00011 0.01046 0.00505 -0.01956 3 67 1 0.00098 -0.00053 0.00618 0.00571 -0.01448 1 68 1 0.00321 -0.00714 -0.02653 -0.00990 0.01279 2 68 1 0.00091 -0.00028 0.00670 0.00660 -0.01625 3 68 1 0.00028 -0.00181 0.00909 0.00448 -0.02365 1 69 1 -0.00055 0.00313 -0.03627 -0.01961 0.07918 2 69 1 0.00027 -0.00062 -0.01032 -0.00497 0.01626 3 69 1 0.00005 -0.00091 -0.00724 -0.00446 0.00660 1 70 19 0.00013 0.00081 0.00077 0.00126 0.00009 2 70 19 -0.00039 -0.00037 0.00051 -0.00019 0.00013 3 70 19 -0.00043 -0.00047 0.00031 0.00008 0.00011 101 102 103 104 105 A A A A A Frequencies --- 1059.9307 1067.4404 1073.7767 1082.8018 1084.9441 Reduced masses --- 5.6871 4.1783 3.8313 5.0589 5.2565 Force constants --- 3.7644 2.8050 2.6027 3.4947 3.6455 IR Intensities --- 158.9194 45.7974 252.7707 37.9268 24.0686 Coord Atom Element: 1 1 6 -0.00368 -0.00472 0.00582 0.00120 0.00142 2 1 6 0.00969 0.00646 -0.01243 0.01781 0.08898 3 1 6 0.00773 0.00072 -0.00226 0.01331 0.06389 1 2 6 0.06038 -0.02778 0.03628 -0.02779 -0.09141 2 2 6 0.06826 -0.02151 0.05045 -0.01288 -0.03912 3 2 6 0.07745 0.00244 0.00393 -0.00205 0.00881 1 3 6 -0.07556 0.02585 -0.03340 0.01415 0.03613 2 3 6 0.01797 -0.00028 0.00554 0.00532 0.02487 3 3 6 -0.01737 0.00005 0.00561 -0.00762 -0.04979 1 4 6 -0.04121 0.02871 -0.06546 0.05159 0.24240 2 4 6 -0.02427 0.00414 -0.01032 -0.01624 -0.07292 3 4 6 -0.03421 0.03102 -0.06396 0.02208 0.11506 1 5 6 -0.02180 0.00427 -0.01210 -0.00054 -0.00173 2 5 6 0.01860 -0.00118 0.00441 0.01140 0.05323 3 5 6 0.00434 -0.01063 0.01542 0.01456 0.05947 1 6 1 -0.07533 -0.03167 0.07240 -0.00329 -0.07793 2 6 1 0.00895 0.02624 -0.04809 0.01875 0.10926 3 6 1 -0.02467 -0.04264 0.07973 -0.01652 -0.10967 1 7 1 0.02472 -0.00238 -0.01357 0.05488 0.25986 2 7 1 -0.08371 0.06618 -0.12086 -0.01115 -0.01561 3 7 1 -0.01953 0.04676 -0.09542 0.03064 0.17833 1 8 1 0.01289 -0.03681 0.07547 -0.03586 -0.19328 2 8 1 0.04420 -0.02489 0.05600 -0.00893 -0.05589 3 8 1 -0.01155 -0.09537 0.17900 -0.07217 -0.40901 1 9 1 0.03193 0.00209 -0.00170 -0.06577 -0.21185 2 9 1 0.05692 -0.01752 0.04424 -0.03548 -0.11898 3 9 1 0.07098 -0.02206 0.03900 -0.03658 -0.13427 1 10 8 0.01862 0.01038 -0.01048 0.00476 0.02898 2 10 8 -0.06163 -0.00380 -0.00290 -0.00084 -0.02375 3 10 8 -0.03214 -0.00475 -0.00061 0.00554 0.01597 1 11 8 0.11371 -0.04153 0.04121 0.00445 0.04203 2 11 8 -0.08349 0.04528 -0.07772 0.01098 0.03285 3 11 8 -0.01984 0.00077 -0.00440 -0.00360 -0.02656 1 12 8 -0.01058 0.00302 -0.00360 0.00074 -0.00291 2 12 8 0.00205 -0.00222 0.00053 0.00001 0.00493 3 12 8 -0.00904 0.00350 -0.01022 0.00469 0.02504 1 13 1 0.09381 -0.03712 0.04739 -0.01696 -0.03284 2 13 1 -0.12189 0.04197 -0.05356 0.02310 0.04364 3 13 1 -0.15231 0.05824 -0.07941 0.02893 0.06523 1 14 8 0.03859 -0.02517 0.05519 -0.03850 -0.18021 2 14 8 -0.00278 -0.00079 0.00304 -0.00085 -0.00724 3 14 8 0.01831 -0.01145 0.02592 -0.01796 -0.08477 1 15 1 0.03090 -0.02752 0.04037 0.00270 0.01232 2 15 1 0.01325 -0.00071 0.00607 -0.00612 -0.02553 3 15 1 0.01676 -0.01159 0.00832 0.02293 0.11004 1 16 6 -0.00534 -0.00019 0.00192 -0.00170 -0.00789 2 16 6 0.03980 -0.00008 0.00757 -0.01933 -0.08197 3 16 6 0.02871 0.00246 0.00143 -0.02095 -0.08934 1 17 8 -0.06592 -0.00376 -0.01193 0.05015 0.21713 2 17 8 -0.02484 -0.00121 -0.00320 0.01356 0.05733 3 17 8 -0.00279 -0.00062 0.00158 -0.00134 -0.00718 1 18 8 0.01893 0.00119 0.00347 -0.01995 -0.08787 2 18 8 -0.00817 -0.00028 -0.00244 0.00298 0.01196 3 18 8 -0.01012 -0.00111 -0.00010 0.00509 0.02085 1 19 6 0.05877 0.00304 0.00982 -0.03921 -0.16831 2 19 6 0.01850 0.00108 0.00397 -0.01554 -0.06800 3 19 6 -0.00171 0.00052 -0.00066 -0.00128 -0.00604 1 20 1 0.03734 0.00291 0.00202 -0.02191 -0.09303 2 20 1 0.01524 0.00049 -0.00021 -0.00261 -0.00834 3 20 1 0.00967 0.00002 0.00168 -0.00301 -0.01125 1 21 1 0.02093 0.00140 0.00676 -0.02808 -0.12761 2 21 1 0.01800 0.00125 0.00351 -0.01526 -0.06675 3 21 1 0.00571 -0.00048 0.00099 0.00001 0.00161 1 22 1 0.03937 0.00101 0.00137 -0.00766 -0.02601 2 22 1 0.02138 0.00067 0.00043 -0.00483 -0.01709 3 22 1 -0.00743 0.00007 -0.00243 0.00566 0.02494 1 23 6 0.04381 0.03576 0.00638 -0.03779 -0.06919 2 23 6 0.03158 0.12161 -0.12061 -0.05153 -0.09245 3 23 6 -0.08280 0.08452 -0.07063 -0.01568 -0.03308 1 24 6 0.27127 0.18660 -0.06629 -0.03872 0.03699 2 24 6 -0.13866 -0.03377 0.03024 0.01651 -0.02081 3 24 6 0.12240 -0.04459 0.04125 0.01494 0.07507 1 25 6 0.09400 -0.04349 -0.09354 0.00382 0.00346 2 25 6 0.07053 0.01246 -0.06229 -0.00750 0.00281 3 25 6 -0.16361 0.01405 -0.02384 -0.01729 -0.09438 1 26 6 -0.10379 -0.00753 0.16014 0.00080 0.00264 2 26 6 -0.16750 0.00190 -0.10478 0.00318 -0.07919 3 26 6 -0.01356 0.00482 -0.00313 0.01548 0.00278 1 27 6 -0.11762 0.05957 -0.07269 0.02770 0.06604 2 27 6 0.14223 -0.07944 0.14322 0.01819 0.06564 3 27 6 0.05966 0.01976 -0.02869 -0.02606 -0.02627 1 28 1 -0.11729 -0.01001 0.02645 -0.02926 -0.10451 2 28 1 -0.13106 0.21099 -0.31173 -0.06457 -0.14883 3 28 1 -0.12437 -0.04184 0.10404 0.00623 -0.02333 1 29 1 0.05973 -0.31609 -0.17039 0.13116 0.07569 2 29 1 0.04556 -0.11241 -0.14338 0.03067 0.00668 3 29 1 -0.14302 0.10112 -0.01289 -0.06403 -0.12321 1 30 1 0.11859 0.19465 0.28066 -0.11480 -0.04519 2 30 1 -0.22415 -0.03343 -0.13568 0.02654 -0.07674 3 30 1 0.04428 0.11158 0.01101 -0.03334 -0.04636 1 31 1 -0.06504 0.07678 -0.13941 0.03304 0.09376 2 31 1 0.25327 -0.03436 0.28087 0.00496 0.11791 3 31 1 -0.12128 -0.04374 -0.23313 -0.00702 -0.10889 1 32 1 0.00199 0.09744 0.05146 -0.03699 0.02851 2 32 1 -0.22038 0.16788 -0.06461 -0.09395 -0.16479 3 32 1 0.19415 -0.16717 0.08763 0.08349 0.16591 1 33 8 -0.14151 -0.07754 0.00704 0.02404 -0.02186 2 33 8 0.03059 -0.03863 0.03720 0.01144 0.03464 3 33 8 -0.09484 -0.07876 0.02405 0.02181 -0.00766 1 34 8 -0.11850 -0.07480 0.09512 0.01692 0.01494 2 34 8 -0.04497 0.08192 0.06591 -0.00023 -0.00411 3 34 8 0.04964 0.03192 -0.06423 -0.00960 -0.02048 1 35 8 -0.00735 0.00419 -0.01994 -0.00451 -0.00991 2 35 8 0.05842 -0.01400 0.00728 0.00613 0.02893 3 35 8 0.09291 -0.02110 0.01425 0.01147 0.05050 1 36 1 -0.04667 0.00672 0.00334 -0.00010 -0.01651 2 36 1 -0.15241 0.05224 0.18659 0.02400 0.00431 3 36 1 -0.22271 -0.01596 0.21807 0.05633 0.01183 1 37 8 -0.02105 0.00260 -0.01892 0.00091 -0.01255 2 37 8 0.05419 -0.00178 0.07783 -0.00439 0.03832 3 37 8 0.02362 -0.00007 0.05350 -0.00398 0.02390 1 38 1 0.00110 0.00352 -0.05686 0.00249 -0.01004 2 38 1 0.24881 -0.01936 -0.12121 -0.01057 0.01880 3 38 1 0.16098 0.00686 -0.15486 -0.00019 0.03504 1 39 6 -0.00075 0.02975 -0.03926 0.00235 0.01590 2 39 6 -0.03887 -0.01667 -0.00028 0.01017 0.01291 3 39 6 0.02459 -0.01058 0.01564 -0.00206 -0.00428 1 40 8 0.01733 0.03789 -0.05074 -0.00919 -0.01523 2 40 8 -0.01108 -0.05469 0.08039 0.01045 0.01816 3 40 8 0.01197 0.03690 -0.04664 -0.00667 -0.00856 1 41 8 0.01219 -0.00929 0.01177 0.00047 0.00172 2 41 8 0.00515 0.00324 0.00045 -0.00218 -0.00324 3 41 8 0.01590 -0.00815 0.00864 0.00370 0.01211 1 42 6 -0.01585 -0.03694 0.04880 0.00720 0.01008 2 42 6 0.01549 0.04406 -0.05635 -0.00886 -0.01391 3 42 6 -0.01778 -0.03779 0.05210 0.00733 0.01093 1 43 1 -0.01685 -0.01404 0.01848 0.00214 -0.00064 2 43 1 0.03815 0.02147 -0.03088 -0.00356 0.00019 3 43 1 -0.01408 -0.02707 0.03651 0.00523 0.00701 1 44 1 -0.02693 -0.02733 0.03654 0.00506 0.00263 2 44 1 0.04291 0.02266 -0.02778 -0.00448 0.00396 3 44 1 -0.01759 -0.02630 0.03123 0.00560 0.00284 1 45 1 0.00623 -0.01576 0.01034 0.00436 0.00947 2 45 1 -0.00078 0.02891 -0.02690 -0.00640 -0.01102 3 45 1 0.01155 -0.01389 0.00611 0.00340 0.00730 1 46 6 -0.00725 0.03309 -0.01028 0.06152 -0.03898 2 46 6 -0.02278 0.07855 0.04954 -0.07962 0.02988 3 46 6 -0.01920 -0.09509 -0.06607 -0.13200 -0.00120 1 47 6 0.05366 -0.15510 -0.10274 0.13892 -0.05116 2 47 6 -0.00471 0.01836 -0.01810 0.00668 -0.01880 3 47 6 -0.00060 0.03326 0.01642 -0.11000 0.04323 1 48 6 0.00712 0.02096 0.00318 -0.01189 -0.00366 2 48 6 0.02630 -0.02085 -0.01235 -0.01650 0.02033 3 48 6 -0.03870 0.04283 0.04431 0.03412 -0.00799 1 49 6 0.02359 0.10772 0.02215 -0.09962 0.03237 2 49 6 -0.04502 0.01735 0.03310 -0.05023 0.00080 3 49 6 -0.03533 -0.06879 0.02063 -0.14280 0.04651 1 50 6 0.03347 -0.11165 -0.04594 0.07242 -0.01308 2 50 6 0.07007 -0.10371 -0.07803 -0.00128 0.01421 3 50 6 -0.00512 0.07570 0.05204 0.00097 0.01899 1 51 1 -0.01957 0.10034 0.00695 0.04746 -0.04565 2 51 1 -0.02273 -0.09662 -0.03425 -0.14330 0.02689 3 51 1 -0.04163 -0.26874 -0.16124 -0.27412 -0.00412 1 52 1 -0.03429 0.05311 0.03991 0.11037 -0.03733 2 52 1 0.04411 -0.03490 -0.03650 0.00302 0.01053 3 52 1 -0.02538 0.05050 0.01028 0.27214 -0.08964 1 53 1 0.04868 0.16950 0.01897 -0.00081 0.03115 2 53 1 -0.08251 0.01269 0.05296 -0.12635 -0.00257 3 53 1 -0.10182 -0.00572 0.07387 -0.21478 0.04173 1 54 1 -0.03694 -0.23722 -0.05149 -0.02049 -0.00165 2 54 1 0.01833 -0.16348 -0.06439 0.19873 -0.03791 3 54 1 0.05269 0.18863 0.06624 0.39360 -0.06359 1 55 1 0.03165 -0.06027 -0.02981 0.12147 -0.02287 2 55 1 -0.01165 -0.06346 -0.06866 0.00961 -0.04851 3 55 1 0.01256 -0.14258 -0.10629 -0.09303 -0.01364 1 56 8 -0.03113 0.09651 0.06021 -0.13155 0.04831 2 56 8 0.01834 -0.07063 -0.04721 0.05798 -0.02849 3 56 8 0.01659 0.00695 0.00697 0.06982 -0.01083 1 57 8 -0.00918 0.02747 0.02545 -0.02867 0.01452 2 57 8 -0.01196 0.03516 0.03644 -0.05910 0.02936 3 57 8 -0.00291 0.00167 -0.00392 0.00428 -0.00519 1 58 1 0.01968 -0.11206 -0.05102 0.14005 -0.05223 2 58 1 0.04348 -0.16041 -0.07094 0.21460 -0.07344 3 58 1 0.00116 -0.03689 -0.02494 0.04277 -0.02194 1 59 8 -0.02710 0.00976 0.02604 0.00888 0.00273 2 59 8 -0.00028 0.00531 0.00075 0.00607 -0.00350 3 59 8 0.01269 -0.01124 -0.01194 -0.00414 -0.00198 1 60 1 0.09535 -0.15888 -0.15780 0.04146 -0.02356 2 60 1 0.01155 0.00485 -0.00550 0.02276 -0.00753 3 60 1 -0.03232 0.04646 0.05256 -0.01865 0.00778 1 61 8 0.01009 -0.01009 -0.01452 0.04943 -0.01412 2 61 8 0.02128 -0.00037 -0.01975 0.06884 -0.01812 3 61 8 0.03518 -0.00855 -0.03357 0.10511 -0.02781 1 62 1 -0.01294 0.02334 0.00897 0.01211 -0.00829 2 62 1 -0.02456 0.07634 0.02778 0.00082 -0.01453 3 62 1 -0.10675 0.20772 0.10812 -0.10988 -0.00918 1 63 6 -0.00455 -0.03777 -0.01581 -0.06596 0.01252 2 63 6 -0.00690 -0.00818 -0.00509 0.01197 -0.00656 3 63 6 -0.00269 0.11219 0.05346 0.13430 -0.02390 1 64 8 -0.00245 0.10111 0.05367 0.25564 -0.05348 2 64 8 0.00436 0.00548 0.00440 0.03426 -0.00575 3 64 8 0.00468 0.00435 0.00538 0.06685 -0.01339 1 65 8 0.00547 -0.04463 -0.02028 -0.08387 0.02069 2 65 8 0.00165 0.00047 0.00054 -0.01631 0.00469 3 65 8 0.00217 -0.03653 -0.01951 -0.06890 0.01364 1 66 6 0.00091 -0.07967 -0.04284 -0.20258 0.04144 2 66 6 -0.00048 -0.00646 -0.00148 -0.01168 0.00335 3 66 6 0.00288 -0.02095 -0.00903 -0.01617 0.00381 1 67 1 0.00889 -0.05581 -0.02962 -0.03963 0.00517 2 67 1 -0.00028 0.01678 0.00619 0.03140 -0.00793 3 67 1 -0.00192 0.01058 -0.00118 -0.02924 0.00374 1 68 1 -0.01369 -0.02234 -0.01901 -0.20810 0.04078 2 68 1 -0.00017 0.01608 0.00116 -0.00828 -0.00065 3 68 1 -0.00631 0.01812 0.00600 -0.02112 0.00310 1 69 1 0.01869 -0.09304 -0.03752 0.00035 0.00171 2 69 1 0.00241 -0.01823 -0.00979 -0.01190 0.00131 3 69 1 -0.00283 -0.00117 0.00284 -0.02736 0.00844 1 70 19 -0.00096 0.00121 0.00055 0.00123 0.00041 2 70 19 0.00111 0.00079 -0.00052 0.00020 0.00034 3 70 19 0.00179 0.00068 -0.00060 -0.00017 -0.00031 106 107 108 109 110 A A A A A Frequencies --- 1093.1124 1101.6250 1105.4492 1107.2474 1124.0530 Reduced masses --- 2.9991 4.4475 2.9892 3.8992 4.7046 Force constants --- 2.1114 3.1800 2.1522 2.8165 3.5022 IR Intensities --- 48.7642 58.3307 43.4455 28.9225 84.0336 Coord Atom Element: 1 1 6 -0.00158 0.00170 0.00033 0.00619 -0.00325 2 1 6 0.00920 -0.06565 -0.00560 0.00420 -0.01455 3 1 6 0.00549 -0.05104 -0.00387 0.01179 -0.01801 1 2 6 0.00607 -0.10900 -0.01397 -0.02170 0.00206 2 2 6 0.00247 -0.05593 -0.00607 -0.00444 0.02075 3 2 6 0.00206 -0.04043 -0.00366 0.02154 -0.01397 1 3 6 -0.00689 0.07790 0.00881 0.01659 -0.01697 2 3 6 -0.00016 -0.01522 0.00060 0.02668 -0.00945 3 3 6 -0.00759 0.07541 0.00759 -0.00698 0.03252 1 4 6 0.02374 -0.06317 -0.00558 -0.03525 0.02801 2 4 6 -0.00154 0.05101 0.00205 -0.04660 0.04329 3 4 6 0.01643 -0.01550 -0.00310 -0.05045 0.04080 1 5 6 0.00174 0.00358 -0.00036 -0.01299 0.00875 2 5 6 0.00253 -0.02995 -0.00159 0.01895 -0.01827 3 5 6 0.00120 -0.03890 -0.00156 0.02914 -0.02585 1 6 1 -0.02480 0.10832 0.01525 0.04586 0.00206 2 6 1 0.01408 -0.07703 -0.00742 0.00468 -0.02022 3 6 1 -0.01621 0.05422 0.00769 0.01043 0.03880 1 7 1 0.02415 -0.10418 -0.00690 -0.01105 0.04643 2 7 1 0.01824 0.03249 -0.00767 -0.14486 0.08003 3 7 1 0.03058 -0.06348 -0.01060 -0.09495 0.08148 1 8 1 -0.02639 0.08318 0.00991 0.05216 -0.02787 2 8 1 -0.01356 0.01131 0.00386 0.05816 -0.04157 3 8 1 -0.06021 0.20531 0.02620 0.13087 -0.07004 1 9 1 0.01782 -0.18033 -0.03015 -0.10672 0.00574 2 9 1 0.00632 -0.09179 -0.01395 -0.04192 0.02184 3 9 1 -0.00061 -0.07135 -0.00939 0.00522 -0.01997 1 10 8 0.00328 -0.01031 -0.00110 -0.00223 -0.00090 2 10 8 -0.00540 0.05002 0.00550 -0.00140 0.00149 3 10 8 0.00062 0.01163 0.00173 -0.00825 0.00437 1 11 8 0.00839 -0.11475 -0.01088 0.01053 -0.00522 2 11 8 -0.00301 0.08942 0.00727 -0.00861 -0.01004 3 11 8 -0.00559 0.01761 0.00037 0.00868 0.00091 1 12 8 -0.00194 0.03015 0.00326 -0.00200 0.01020 2 12 8 0.00210 -0.02655 -0.00305 -0.00091 -0.01173 3 12 8 0.00315 -0.02687 -0.00309 -0.00005 -0.01985 1 13 1 0.01206 -0.18039 -0.01978 -0.00810 -0.01586 2 13 1 -0.01694 0.22222 0.02470 0.01721 0.01161 3 13 1 -0.01654 0.26045 0.02841 0.01078 0.01260 1 14 8 -0.01782 0.03949 0.00369 0.03094 -0.02640 2 14 8 -0.00193 0.00779 0.00111 0.00610 -0.00511 3 14 8 -0.00888 0.02071 0.00205 0.01720 -0.01515 1 15 1 0.00308 -0.03173 -0.00224 -0.01188 0.03519 2 15 1 -0.00295 -0.00541 -0.00076 0.01240 -0.01445 3 15 1 0.01272 -0.06064 -0.00521 -0.02433 0.04281 1 16 6 0.00043 0.01266 0.00206 -0.00405 0.00578 2 16 6 -0.00669 0.02399 0.00071 0.00025 0.00063 3 16 6 -0.00685 0.03168 0.00083 -0.00606 0.00483 1 17 8 0.01741 -0.10405 -0.00654 0.00885 -0.01755 2 17 8 0.00453 -0.02102 -0.00096 0.00117 -0.00231 3 17 8 -0.00080 0.00941 0.00108 -0.00008 0.00229 1 18 8 -0.00731 0.04688 0.00285 -0.00595 0.00977 2 18 8 0.00062 -0.00172 -0.00015 0.00007 0.00089 3 18 8 0.00152 -0.00734 -0.00027 0.00028 -0.00001 1 19 6 -0.01338 0.07294 0.00422 -0.00534 0.01036 2 19 6 -0.00553 0.03728 0.00269 -0.00327 0.00789 3 19 6 -0.00058 0.00759 0.00061 -0.00145 0.00290 1 20 1 -0.00789 0.02984 0.00002 -0.00332 0.00227 2 20 1 -0.00033 -0.01648 -0.00255 0.00093 -0.00741 3 20 1 -0.00040 -0.00310 -0.00035 0.00071 -0.00304 1 21 1 -0.01207 0.09078 0.00685 -0.00712 0.02458 2 21 1 -0.00552 0.03682 0.00257 -0.00312 0.00760 3 21 1 0.00070 -0.01024 -0.00088 0.00029 -0.00324 1 22 1 -0.00124 -0.02936 -0.00418 0.00508 -0.01685 2 22 1 -0.00105 -0.01658 -0.00264 0.00331 -0.01114 3 22 1 0.00212 -0.01167 -0.00077 0.00023 -0.00135 1 23 6 0.02151 -0.11985 -0.02302 -0.05807 -0.01835 2 23 6 0.02597 -0.12570 -0.03424 -0.09764 -0.03261 3 23 6 0.00230 0.02223 -0.00901 0.00137 -0.04342 1 24 6 0.03210 0.03823 0.02461 0.14148 -0.03584 2 24 6 -0.00478 -0.00264 0.00820 -0.03933 0.03211 3 24 6 -0.00364 0.09245 -0.01386 -0.03848 -0.05626 1 25 6 0.00073 0.02786 -0.01723 -0.07407 -0.00211 2 25 6 -0.04244 -0.01869 -0.02209 0.04766 -0.01605 3 25 6 -0.03459 -0.15977 -0.01987 0.01138 0.03457 1 26 6 0.01921 -0.03102 0.01837 -0.02222 0.03370 2 26 6 -0.03823 -0.08311 -0.02390 0.13244 -0.06656 3 26 6 -0.03790 -0.04012 -0.00032 0.25690 -0.08141 1 27 6 -0.01635 0.28889 0.03557 0.02770 0.00506 2 27 6 -0.00429 -0.03102 0.01094 0.08754 0.00182 3 27 6 0.03204 -0.03777 -0.01048 -0.17261 0.03866 1 28 1 -0.00017 -0.14359 -0.02692 -0.04309 -0.01423 2 28 1 0.03163 -0.04098 -0.03839 -0.22093 -0.03496 3 28 1 -0.02601 -0.07208 -0.00900 0.11359 -0.03205 1 29 1 -0.14746 0.12222 -0.03843 0.35167 -0.08522 2 29 1 -0.09654 0.00954 -0.03990 0.07046 0.00648 3 29 1 0.02014 -0.19149 -0.01484 -0.17778 0.07842 1 30 1 0.09986 -0.27828 -0.00688 -0.17668 -0.00170 2 30 1 -0.05020 -0.02751 -0.01818 0.16233 -0.06879 3 30 1 0.00650 -0.14718 -0.01128 0.21570 -0.13447 1 31 1 -0.03115 0.28448 0.02297 0.09271 -0.05071 2 31 1 0.02251 0.00597 0.03185 0.10994 -0.00619 3 31 1 -0.00815 -0.08133 -0.03977 -0.20980 0.05446 1 32 1 -0.00429 0.00142 0.05967 0.13106 0.04586 2 32 1 -0.01264 -0.22103 -0.02564 -0.10118 0.02302 3 32 1 0.00111 0.23064 0.00381 0.00814 -0.05620 1 33 8 -0.02030 -0.02382 0.00413 -0.00164 0.04415 2 33 8 -0.00369 0.02906 0.01008 0.02717 0.01286 3 33 8 -0.01749 -0.02107 0.00920 0.00976 0.05332 1 34 8 -0.00013 0.01828 0.00066 -0.07689 0.01400 2 34 8 0.06720 -0.00614 0.04976 0.02571 0.02727 3 34 8 -0.00078 -0.02346 -0.01004 0.04359 -0.00593 1 35 8 -0.00848 -0.01517 -0.00576 0.00565 -0.00623 2 35 8 0.02597 0.05688 0.01011 -0.03795 0.00033 3 35 8 0.02922 0.08958 0.01329 -0.03383 -0.00946 1 36 1 -0.01574 -0.03424 -0.00317 0.04900 -0.00483 2 36 1 -0.00362 -0.05065 0.04170 0.27777 -0.01246 3 36 1 -0.02136 -0.03870 0.03854 0.32625 -0.00808 1 37 8 -0.01045 -0.01697 -0.00400 0.03735 -0.01232 2 37 8 0.03043 0.04969 0.01514 -0.11979 0.05016 3 37 8 0.02539 0.04367 0.01132 -0.10748 0.04073 1 38 1 -0.01924 -0.01056 -0.00886 0.05716 -0.02268 2 38 1 -0.01524 0.00875 -0.02525 -0.03483 -0.00217 3 38 1 -0.02000 0.08383 -0.01675 -0.01941 -0.01437 1 39 6 -0.00114 0.05106 0.00413 0.00732 -0.00820 2 39 6 -0.00193 0.04917 0.00847 -0.02599 0.02194 3 39 6 0.00118 -0.03035 -0.00273 0.00269 0.00101 1 40 8 0.00639 -0.01487 -0.00459 -0.02797 0.00065 2 40 8 -0.00777 0.00128 0.00421 0.04703 -0.00473 3 40 8 0.00427 -0.00057 -0.00251 -0.01519 -0.00254 1 41 8 0.00017 -0.00890 0.00000 0.00122 0.00255 2 41 8 0.00065 -0.00845 -0.00148 0.00156 -0.00305 3 41 8 -0.00126 0.01220 0.00309 0.00569 0.00359 1 42 6 -0.00507 0.00537 0.00291 0.02054 0.00027 2 42 6 0.00545 -0.00550 -0.00363 -0.02173 -0.00257 3 42 6 -0.00510 0.00353 0.00253 0.02438 -0.00212 1 43 1 -0.00119 0.00149 0.00088 0.00154 0.00143 2 43 1 0.00233 -0.00115 -0.00026 -0.00705 0.00277 3 43 1 -0.00321 0.00246 0.00198 0.01425 0.00015 1 44 1 -0.00408 0.00636 0.00195 0.01275 -0.00075 2 44 1 0.00360 -0.01164 -0.00237 -0.00251 -0.00198 3 44 1 -0.00433 0.01136 0.00369 0.00761 0.00497 1 45 1 -0.00062 0.00752 0.00307 -0.00782 0.01264 2 45 1 0.00242 -0.00716 -0.00397 0.00332 -0.01387 3 45 1 -0.00039 0.00576 0.00301 -0.01327 0.01490 1 46 6 0.14027 -0.00007 -0.00735 0.04209 -0.00552 2 46 6 -0.04944 -0.00678 0.07467 -0.00370 0.05373 3 46 6 0.14088 -0.00100 0.01872 0.04500 0.05624 1 47 6 0.00418 -0.03877 0.14923 -0.02260 -0.03816 2 47 6 0.04899 -0.03544 0.23255 0.00964 0.00250 3 47 6 -0.11500 -0.00413 0.00773 -0.01121 0.03135 1 48 6 0.08957 0.02526 -0.13580 0.08576 0.26301 2 48 6 -0.12296 -0.00389 -0.03698 -0.02140 0.00455 3 48 6 0.03590 0.01355 -0.03595 -0.03927 -0.17670 1 49 6 -0.05950 -0.00892 0.03081 0.02579 -0.00082 2 49 6 0.12998 0.02083 -0.01743 0.00115 -0.14615 3 49 6 -0.00536 0.02612 -0.06638 -0.03409 -0.18060 1 50 6 -0.01621 0.01061 -0.04952 -0.03810 -0.09774 2 50 6 -0.14667 -0.00016 -0.08002 -0.02387 -0.01713 3 50 6 -0.09895 -0.00942 0.04082 -0.01745 0.01454 1 51 1 0.23325 0.01857 -0.10841 0.09275 0.01911 2 51 1 0.00167 -0.01333 0.12004 -0.02074 0.03694 3 51 1 0.32292 0.01226 -0.02195 0.07735 0.06178 1 52 1 0.13932 0.01982 -0.05774 0.07974 0.36772 2 52 1 -0.13308 -0.02152 0.04382 -0.03622 -0.07567 3 52 1 0.08512 -0.04970 0.31975 -0.07396 -0.22601 1 53 1 -0.31476 -0.05091 0.16078 -0.06808 -0.11048 2 53 1 0.34309 0.04226 -0.03474 0.05768 -0.17387 3 53 1 0.19592 0.03130 0.03608 -0.01846 -0.39791 1 54 1 -0.02168 -0.00108 -0.11436 -0.08895 -0.25521 2 54 1 -0.18591 -0.01557 -0.16274 -0.08965 -0.04102 3 54 1 -0.14388 -0.01050 0.02846 -0.01878 0.20842 1 55 1 -0.09974 -0.04302 0.21093 -0.06231 -0.08388 2 55 1 0.20620 -0.03526 0.24500 0.05512 0.07052 3 55 1 0.13944 -0.00384 -0.01604 0.07193 0.15414 1 56 8 -0.07173 0.00466 0.01581 -0.00291 0.03176 2 56 8 0.06899 0.00358 -0.04848 0.01416 -0.01443 3 56 8 -0.01938 -0.00064 0.00052 -0.00629 0.00505 1 57 8 -0.01125 0.01583 -0.07951 0.00091 -0.00205 2 57 8 -0.04736 0.02221 -0.12468 -0.00504 -0.00271 3 57 8 0.01102 -0.00921 0.06042 -0.00128 -0.00723 1 58 1 0.12922 0.01990 -0.13761 0.01472 -0.02640 2 58 1 0.19234 0.04996 -0.31636 0.02671 -0.05533 3 58 1 0.04350 -0.01250 0.06626 0.00159 -0.00380 1 59 8 -0.01727 0.00364 0.00159 -0.05185 -0.18688 2 59 8 0.01414 0.00003 0.00201 0.00326 -0.00203 3 59 8 0.02714 0.00589 -0.04300 0.03672 0.12114 1 60 1 -0.16337 -0.10949 0.53828 -0.03976 0.03512 2 60 1 0.00973 0.00282 -0.03300 0.01155 0.01836 3 60 1 0.07909 0.04395 -0.21829 0.03144 0.04633 1 61 8 -0.01143 -0.00799 0.01800 0.00061 0.05079 2 61 8 -0.02381 -0.01066 0.01231 0.00766 0.09229 3 61 8 -0.03288 -0.01448 0.02067 0.01009 0.13061 1 62 1 0.05542 -0.00009 0.03745 -0.00254 -0.03773 2 62 1 0.07531 -0.01165 0.07315 0.02638 0.00667 3 62 1 0.29157 -0.00383 0.17567 0.04389 -0.21370 1 63 6 -0.00342 -0.00177 0.01152 -0.00060 0.01324 2 63 6 0.01297 0.00110 -0.01457 -0.00117 0.00089 3 63 6 -0.02308 -0.00092 -0.01746 -0.00622 -0.00523 1 64 8 0.00632 0.00234 -0.04777 -0.01479 -0.04496 2 64 8 -0.00377 0.00072 -0.00525 -0.00342 -0.01238 3 64 8 -0.00001 0.00174 -0.01765 -0.00682 -0.02063 1 65 8 -0.01529 0.00034 0.01679 -0.00001 0.01460 2 65 8 0.00011 0.00091 0.00534 0.00207 0.00161 3 65 8 0.00525 0.00071 0.00943 0.00475 0.00760 1 66 6 -0.00172 -0.00269 0.04017 0.01276 0.03701 2 66 6 -0.00568 0.00043 -0.00319 -0.00232 0.00020 3 66 6 -0.00362 -0.00006 0.00221 -0.00279 -0.01013 1 67 1 0.02429 -0.00100 0.02478 0.00724 -0.02165 2 67 1 0.01210 -0.00026 0.00223 0.00425 -0.00082 3 67 1 0.01453 -0.00190 0.01854 0.01276 0.02322 1 68 1 0.01816 -0.00281 0.04393 0.03001 0.09791 2 68 1 0.01407 -0.00192 0.01635 0.01080 0.01284 3 68 1 0.01142 -0.00075 0.00874 0.01008 0.03033 1 69 1 -0.00794 0.00480 -0.02462 -0.01966 -0.07113 2 69 1 0.00226 -0.00176 0.01187 -0.00093 -0.00886 3 69 1 -0.01205 0.00183 -0.01086 -0.00128 0.01261 1 70 19 -0.00003 -0.00002 -0.00043 -0.00056 -0.00070 2 70 19 0.00006 0.00018 0.00000 0.00008 -0.00007 3 70 19 -0.00003 0.00053 -0.00007 0.00076 -0.00059 111 112 113 114 115 A A A A A Frequencies --- 1127.8699 1133.5784 1144.1859 1153.8579 1161.0922 Reduced masses --- 4.0388 4.1574 5.2353 3.4634 2.8831 Force constants --- 3.0271 3.1476 4.0382 2.7168 2.2900 IR Intensities --- 169.1342 53.2909 9.8545 363.6739 5.9515 Coord Atom Element: 1 1 6 -0.01158 0.00183 -0.00219 -0.01841 0.00789 2 1 6 -0.06722 -0.00323 0.01079 0.03880 -0.07110 3 1 6 -0.08187 -0.00032 0.00634 0.00544 -0.05425 1 2 6 0.02703 -0.01280 0.02534 -0.19268 -0.05370 2 2 6 0.14979 -0.01581 0.02826 -0.11913 -0.03032 3 2 6 -0.02464 -0.00223 0.00586 -0.04283 -0.00900 1 3 6 -0.09762 0.01057 -0.01154 0.04773 0.04096 2 3 6 -0.01362 0.00326 -0.00968 -0.08562 -0.00053 3 3 6 0.15970 -0.00571 -0.00475 0.12778 -0.07936 1 4 6 0.12579 -0.00181 -0.00505 -0.06427 0.05753 2 4 6 0.17922 -0.01029 0.00762 0.12857 -0.04406 3 4 6 0.17966 -0.00499 -0.00248 -0.02489 0.04214 1 5 6 0.03428 -0.00294 0.00269 0.03495 -0.01361 2 5 6 -0.07444 0.00479 -0.00210 -0.07647 0.03254 3 5 6 -0.11191 0.00519 -0.00349 -0.04685 0.00943 1 6 1 0.00206 0.00501 -0.00977 0.09763 0.02847 2 6 1 -0.07002 0.00366 -0.00584 -0.17780 -0.03012 3 6 1 0.19441 -0.01062 0.00124 0.10630 -0.11616 1 7 1 0.27141 -0.00773 -0.00944 -0.14239 0.10928 2 7 1 0.31224 -0.02897 0.05224 0.24448 -0.13060 3 7 1 0.39543 -0.02225 0.02252 -0.01521 0.03008 1 8 1 -0.12296 0.00677 -0.01134 0.05747 0.01960 2 8 1 -0.17360 0.01029 -0.00893 -0.06683 0.04549 3 8 1 -0.31861 0.02485 -0.04130 0.06994 0.17546 1 9 1 0.01472 -0.03046 0.07563 -0.29624 -0.11748 2 9 1 0.14350 -0.02442 0.05180 -0.19881 -0.04069 3 9 1 -0.05306 -0.00907 0.02387 -0.20961 0.03021 1 10 8 -0.00045 -0.00068 0.00444 -0.01330 -0.01502 2 10 8 -0.02106 0.00624 -0.01490 0.03630 0.04127 3 10 8 -0.00719 0.00351 -0.00936 0.04583 0.03747 1 11 8 -0.01380 -0.00445 -0.00538 0.19113 0.04265 2 11 8 -0.07772 0.01078 -0.01348 0.04532 0.01949 3 11 8 0.03743 -0.00621 0.01529 -0.07227 -0.02289 1 12 8 0.04705 -0.00032 -0.00431 0.05198 -0.01584 2 12 8 -0.06304 0.00119 0.00410 -0.03362 0.01628 3 12 8 -0.11002 0.00449 0.00229 -0.03942 0.04568 1 13 1 -0.05096 -0.00972 0.02481 -0.28156 0.00227 2 13 1 0.01815 0.01465 -0.03303 0.34376 0.00611 3 13 1 0.00845 0.01804 -0.03752 0.41065 0.02399 1 14 8 -0.11974 0.00283 0.00278 0.03067 -0.03710 2 14 8 -0.02522 0.00179 -0.00189 -0.00012 0.00345 3 14 8 -0.06899 0.00226 0.00009 0.01313 -0.01510 1 15 1 0.18051 -0.01085 0.00907 -0.00460 0.00711 2 15 1 -0.05751 0.00084 0.00413 -0.01267 -0.01382 3 15 1 0.22020 -0.01203 0.00942 -0.03210 0.02283 1 16 6 0.01825 0.00092 -0.00466 -0.01468 0.02914 2 16 6 0.00668 -0.00032 0.00185 0.01238 -0.02880 3 16 6 0.02378 -0.00150 0.00308 0.03668 -0.03498 1 17 8 -0.09360 -0.00237 0.00759 0.05206 -0.07807 2 17 8 -0.01428 -0.00033 0.00098 0.01112 -0.02061 3 17 8 0.01095 0.00081 -0.00242 -0.01528 0.01966 1 18 8 0.05062 0.00092 -0.00365 -0.01983 0.04017 2 18 8 0.00640 -0.00008 -0.00032 -0.00121 0.00911 3 18 8 -0.00105 -0.00017 -0.00015 -0.00233 0.00413 1 19 6 0.05667 0.00120 -0.00345 -0.02276 0.03066 2 19 6 0.04201 0.00155 -0.00579 -0.04649 0.07988 3 19 6 0.01604 0.00031 -0.00151 -0.01515 0.02362 1 20 1 0.02205 -0.00236 0.00853 0.05674 -0.11253 2 20 1 -0.03769 -0.00317 0.01164 0.09689 -0.17003 3 20 1 -0.01980 -0.00051 0.00246 0.03037 -0.05094 1 21 1 0.14047 0.00525 -0.02154 -0.19956 0.35720 2 21 1 0.04169 0.00148 -0.00528 -0.04471 0.07401 3 21 1 -0.02250 -0.00095 0.00289 0.03608 -0.05205 1 22 1 -0.08866 -0.00352 0.01506 0.12882 -0.20964 2 22 1 -0.05630 -0.00262 0.01202 0.10156 -0.17916 3 22 1 -0.00786 -0.00019 0.00021 -0.00077 0.00630 1 23 6 0.00344 -0.04278 0.08168 0.01379 -0.00859 2 23 6 -0.01746 -0.05163 0.11643 0.04268 -0.00394 3 23 6 -0.02075 -0.04572 0.10289 -0.01808 -0.01445 1 24 6 0.01795 0.01662 -0.14046 -0.00603 -0.03276 2 24 6 -0.00401 -0.02258 0.02250 -0.02859 -0.09426 3 24 6 -0.00815 -0.06294 0.23494 0.02424 0.04270 1 25 6 -0.02075 -0.01760 0.04133 0.00213 0.00131 2 25 6 0.00964 0.07167 -0.06192 0.03127 0.11933 3 25 6 0.00805 0.09209 -0.15089 0.02997 0.09845 1 26 6 0.00672 0.00700 -0.03094 -0.00801 -0.03195 2 26 6 0.02994 -0.06569 0.12864 -0.00079 -0.00446 3 26 6 0.05937 -0.05140 0.08334 0.01296 0.00096 1 27 6 -0.01763 0.03423 -0.04892 -0.13270 -0.01121 2 27 6 0.04155 0.01238 -0.03669 0.04703 0.01698 3 27 6 -0.03740 0.01931 -0.02770 0.01784 0.00183 1 28 1 0.00192 -0.03331 0.10411 -0.01132 -0.00871 2 28 1 -0.11321 -0.05566 0.16107 -0.02723 -0.05886 3 28 1 0.05384 -0.02849 0.07971 0.01438 0.02919 1 29 1 0.09499 -0.12897 0.21934 -0.01021 -0.07918 2 29 1 0.01969 0.12832 -0.15207 0.02791 0.18305 3 29 1 -0.04261 0.15766 -0.25948 0.03561 0.15292 1 30 1 -0.04628 0.08369 -0.07405 0.12552 0.24062 2 30 1 0.04063 -0.11179 0.18852 -0.03465 -0.10639 3 30 1 0.03869 -0.12101 0.22691 0.06159 -0.03076 1 31 1 -0.02543 0.00379 0.04625 0.01520 0.02924 2 31 1 0.07989 0.01451 -0.03371 0.03583 0.02741 3 31 1 -0.09065 0.01940 -0.03859 0.00899 -0.01709 1 32 1 0.02394 0.08882 -0.20195 -0.01900 -0.09551 2 32 1 -0.01530 0.00530 0.07465 0.00180 -0.16138 3 32 1 0.00010 -0.08313 0.19884 0.00662 0.09085 1 33 8 0.00372 0.03013 -0.08140 -0.01322 -0.01313 2 33 8 0.00435 0.02913 -0.05547 -0.00196 0.02277 3 33 8 0.00959 0.04893 -0.12908 -0.01221 -0.01466 1 34 8 -0.01194 -0.02203 0.16755 0.00934 0.01552 2 34 8 -0.00216 -0.03962 -0.01793 0.00534 -0.00013 3 34 8 0.00881 0.03682 -0.11651 -0.00837 -0.01694 1 35 8 0.00102 0.01244 -0.00564 0.00545 0.01898 2 35 8 -0.01132 -0.03430 0.03589 -0.01407 -0.04673 3 35 8 -0.01041 -0.05812 0.08073 -0.01855 -0.06901 1 36 1 0.01331 0.01314 -0.01858 0.00518 0.02080 2 36 1 0.07714 -0.05510 -0.03495 -0.02004 -0.06704 3 36 1 0.09029 -0.07404 -0.00513 -0.02778 -0.08544 1 37 8 0.00803 -0.00555 0.01217 0.00501 0.00252 2 37 8 -0.02621 0.03755 -0.07112 -0.00468 -0.00456 3 37 8 -0.02218 0.02383 -0.04554 -0.01152 -0.01187 1 38 1 0.00671 -0.00052 0.00946 0.01057 0.02821 2 38 1 0.00442 0.06517 -0.08293 -0.01441 0.15940 3 38 1 -0.03342 0.05765 -0.06405 -0.00254 0.13029 1 39 6 -0.00956 0.00386 -0.00031 -0.00317 0.00176 2 39 6 -0.01831 0.01542 -0.03508 -0.02958 -0.00684 3 39 6 0.00700 -0.00168 0.00044 0.00963 0.00234 1 40 8 -0.00776 -0.00387 0.00723 0.00605 -0.00199 2 40 8 0.01984 0.00111 -0.00335 0.00073 0.00631 3 40 8 -0.00857 -0.00202 0.00411 0.00440 -0.00093 1 41 8 0.00395 0.00225 -0.00479 0.00249 0.00188 2 41 8 0.00305 -0.00290 0.00724 0.00321 0.00093 3 41 8 0.00320 0.00729 -0.01240 0.00030 0.00376 1 42 6 0.00652 0.00238 -0.00523 -0.00556 0.00064 2 42 6 -0.01078 -0.00440 0.00976 0.00187 -0.00406 3 42 6 0.01084 -0.00130 0.00266 -0.00332 0.00134 1 43 1 0.00230 -0.00336 0.00606 -0.00473 0.00294 2 43 1 -0.00565 0.01111 -0.02227 0.01203 0.00517 3 43 1 0.00863 -0.00133 0.00236 -0.00142 0.00406 1 44 1 -0.00046 -0.00218 0.00387 -0.01459 -0.00566 2 44 1 0.01120 0.00277 -0.00434 0.02862 0.01270 3 44 1 -0.00873 0.00791 -0.01679 -0.01783 -0.00345 1 45 1 0.00410 0.01192 -0.02607 0.00296 0.00685 2 45 1 -0.00164 -0.01549 0.03339 0.00185 -0.00495 3 45 1 -0.00241 0.01647 -0.03474 -0.00079 0.00399 1 46 6 0.00805 0.11005 -0.01155 -0.00100 -0.08076 2 46 6 -0.01231 -0.09827 0.00692 0.00179 0.03531 3 46 6 -0.01056 -0.04983 -0.07027 0.00202 -0.06037 1 47 6 0.00358 0.04242 -0.01384 0.00271 -0.03653 2 47 6 0.00342 0.07118 0.10175 0.00339 0.06354 3 47 6 -0.00463 -0.00130 0.00017 -0.00176 -0.01948 1 48 6 -0.03553 0.06314 0.12969 0.00090 0.05361 2 48 6 0.00058 0.05851 -0.01714 -0.00362 -0.07723 3 48 6 0.02066 -0.16474 -0.13906 -0.00069 0.00691 1 49 6 0.01018 0.14044 0.00750 -0.00263 -0.07887 2 49 6 0.02476 0.00744 0.01555 0.00051 0.06111 3 49 6 0.03623 0.21939 0.09769 -0.00329 -0.01535 1 50 6 0.00706 -0.10814 -0.03936 0.00192 0.09130 2 50 6 0.00557 0.10944 0.02994 -0.00540 0.01206 3 50 6 -0.00159 0.00744 0.02374 0.00095 -0.00187 1 51 1 0.01491 0.26761 0.02399 -0.00547 -0.11662 2 51 1 -0.02228 -0.25093 -0.05678 0.01091 0.08132 3 51 1 -0.01919 -0.12077 -0.12602 0.01166 -0.02024 1 52 1 -0.05560 0.03032 0.26965 0.00114 0.14126 2 52 1 0.01355 0.07555 -0.06073 -0.00326 -0.10344 3 52 1 0.02527 -0.16187 -0.08364 0.00074 0.04818 1 53 1 0.02632 0.23679 -0.02613 -0.01685 -0.27953 2 53 1 0.03334 0.00414 0.04337 0.00889 0.18219 3 53 1 0.07869 0.32334 0.11951 -0.00061 0.02926 1 54 1 0.03492 0.03278 -0.02059 0.01080 0.14561 2 54 1 0.00514 0.15154 0.07151 -0.00184 0.04452 3 54 1 -0.04102 -0.14299 0.03091 -0.00869 -0.04659 1 55 1 0.00709 -0.02915 0.02508 0.00501 0.05965 2 55 1 -0.00809 0.05563 0.12663 0.01050 0.11529 3 55 1 -0.02196 0.04222 -0.00442 0.00420 -0.04843 1 56 8 -0.00483 -0.03890 0.03832 -0.00020 0.05324 2 56 8 0.00394 0.04826 -0.03051 -0.00082 -0.04938 3 56 8 -0.00060 0.01349 0.03097 -0.00017 0.02628 1 57 8 -0.00004 -0.02572 -0.02167 -0.00131 -0.00458 2 57 8 -0.00049 -0.03702 -0.04119 -0.00220 -0.02371 3 57 8 0.00138 0.00721 0.02118 0.00119 0.01929 1 58 1 0.00069 -0.03618 -0.09353 0.00055 -0.04601 2 58 1 0.00436 -0.05535 -0.18859 -0.00427 -0.10401 3 58 1 -0.00031 0.00461 0.01316 0.00294 0.01390 1 59 8 0.02415 -0.09058 -0.10718 -0.00089 -0.01473 2 59 8 -0.00010 -0.01270 -0.00964 0.00064 0.00319 3 59 8 -0.01614 0.04885 0.06323 0.00099 0.01325 1 60 1 0.00406 0.32613 0.22004 -0.00389 -0.05138 2 60 1 -0.00174 -0.00657 -0.01487 -0.00128 -0.00634 3 60 1 -0.01001 -0.09687 -0.04578 0.00265 0.02946 1 61 8 -0.01070 -0.05255 -0.01225 0.00050 0.01106 2 61 8 -0.01810 -0.06955 -0.02790 0.00090 -0.00662 3 61 8 -0.02638 -0.12306 -0.04067 0.00120 -0.00159 1 62 1 0.00296 0.01852 0.00419 0.00446 0.01157 2 62 1 0.00499 0.02885 0.00376 -0.00267 0.01360 3 62 1 0.04803 0.22039 0.05486 0.00159 0.04214 1 63 6 -0.00315 -0.03125 -0.00529 -0.00015 0.00231 2 63 6 -0.00125 -0.03108 -0.01988 -0.00115 -0.00522 3 63 6 0.00447 0.01855 0.01467 -0.00504 -0.01444 1 64 8 0.00998 0.07774 0.03565 0.00201 0.00821 2 64 8 0.00248 0.02370 0.01167 0.00100 0.00555 3 64 8 0.00346 0.02624 0.01031 0.00103 0.00482 1 65 8 -0.00507 -0.05507 -0.02054 -0.00026 0.01162 2 65 8 0.00018 0.00415 0.00425 -0.00010 -0.00026 3 65 8 -0.00218 -0.01649 -0.01128 -0.00008 -0.00004 1 66 6 -0.00785 -0.05580 -0.02663 -0.00170 -0.01097 2 66 6 -0.00064 -0.01190 -0.00279 -0.00031 0.00424 3 66 6 0.00134 0.01463 0.01140 0.00233 0.01804 1 67 1 0.00403 0.09130 0.03845 0.01037 0.03186 2 67 1 0.00109 0.02531 0.00384 0.00088 -0.01126 3 67 1 -0.00266 -0.00604 -0.01740 -0.00295 -0.03864 1 68 1 -0.01856 -0.14793 -0.09328 -0.01081 -0.09363 2 68 1 -0.00051 0.01248 -0.00686 -0.00146 -0.02745 3 68 1 -0.00531 -0.03944 -0.03041 -0.00366 -0.03866 1 69 1 0.00939 0.07305 0.04773 0.01014 0.09094 2 69 1 0.00142 0.01995 0.01353 0.00282 0.01679 3 69 1 -0.00306 -0.03709 -0.01703 -0.00278 -0.01051 1 70 19 -0.00076 0.00045 0.00110 -0.00008 -0.00059 2 70 19 -0.00046 0.00038 -0.00085 0.00038 -0.00055 3 70 19 0.00029 -0.00012 0.00039 0.00044 0.00057 116 117 118 119 120 A A A A A Frequencies --- 1163.2457 1169.2164 1171.8683 1174.2194 1180.4230 Reduced masses --- 3.0787 2.9970 2.9968 1.3560 1.2723 Force constants --- 2.4545 2.4139 2.4247 1.1015 1.0445 IR Intensities --- 81.0320 72.4618 33.4572 20.4648 1.3035 Coord Atom Element: 1 1 6 0.00001 0.01187 -0.00250 0.00028 -0.00019 2 1 6 0.06787 -0.03210 0.01944 0.00059 0.00117 3 1 6 0.06008 -0.01051 0.00987 0.00033 0.00074 1 2 6 0.08409 0.03060 -0.00005 0.00200 -0.00164 2 2 6 0.02017 -0.10169 0.07882 0.00845 0.00149 3 2 6 0.02153 0.02914 -0.01402 -0.00101 -0.00073 1 3 6 -0.06548 -0.04894 0.01984 0.00094 -0.00006 2 3 6 0.07410 0.20501 -0.10432 -0.00676 -0.00341 3 3 6 0.13089 0.13536 -0.06906 -0.00594 0.00034 1 4 6 -0.05135 0.04011 -0.02458 -0.00099 0.00024 2 4 6 0.01841 -0.07192 0.03631 0.00179 0.00284 3 4 6 -0.04184 0.02289 -0.01567 -0.00066 0.00048 1 5 6 0.00715 -0.01297 0.00504 -0.00002 0.00063 2 5 6 -0.03254 -0.00851 0.00771 0.00131 -0.00085 3 5 6 0.00274 0.03419 -0.01807 -0.00113 -0.00071 1 6 1 -0.07737 -0.12483 0.06516 0.00535 0.00201 2 6 1 0.15968 0.35563 -0.18281 -0.01237 -0.00556 3 6 1 0.18060 0.15861 -0.07526 -0.00514 0.00100 1 7 1 -0.06712 0.17290 -0.09605 -0.00490 -0.00397 2 7 1 -0.02335 -0.52403 0.29429 0.02047 0.01033 3 7 1 -0.08132 -0.15421 0.08919 0.00800 0.00139 1 8 1 -0.01332 0.07766 -0.05738 -0.00543 -0.00252 2 8 1 -0.03781 0.03784 -0.02360 -0.00141 -0.00256 3 8 1 -0.19188 0.14778 -0.12635 -0.01167 -0.00758 1 9 1 0.12478 -0.09061 0.08655 0.01084 -0.00185 2 9 1 0.01353 -0.16608 0.12105 0.01289 0.00139 3 9 1 -0.04680 -0.04536 0.02683 0.00364 -0.00106 1 10 8 0.00941 -0.04169 0.02832 0.00239 0.00046 2 10 8 -0.04195 0.04784 -0.03896 -0.00368 -0.00077 3 10 8 -0.05668 -0.00921 -0.00842 -0.00154 0.00032 1 11 8 -0.08259 0.02403 -0.05621 -0.00859 0.00252 2 11 8 -0.00876 0.04434 -0.02776 -0.00263 -0.00178 3 11 8 0.03186 -0.03099 0.03734 0.00487 -0.00012 1 12 8 0.02853 0.03704 -0.02005 -0.00190 0.00026 2 12 8 -0.03933 -0.06459 0.03336 0.00262 0.00021 3 12 8 -0.09163 -0.12078 0.06040 0.00453 0.00045 1 13 1 0.01605 0.02430 -0.00284 0.00254 -0.00268 2 13 1 -0.03590 -0.05015 0.01316 -0.00236 0.00292 3 13 1 -0.08045 -0.11223 0.04163 -0.00113 0.00433 1 14 8 0.03487 -0.02306 0.01462 0.00055 -0.00022 2 14 8 -0.00333 0.00180 -0.00149 -0.00016 -0.00014 3 14 8 0.01733 0.00121 -0.00025 -0.00031 -0.00053 1 15 1 -0.04253 -0.11480 0.06698 0.00594 0.00278 2 15 1 0.01533 -0.01116 0.00952 0.00079 -0.00019 3 15 1 -0.05273 -0.09538 0.05672 0.00553 0.00247 1 16 6 -0.03923 0.00607 -0.01322 -0.00154 0.00024 2 16 6 0.04023 -0.00341 0.01138 0.00129 -0.00095 3 16 6 0.04343 -0.01151 0.01532 0.00138 -0.00002 1 17 8 0.08055 -0.01730 0.01275 0.00025 0.00074 2 17 8 0.02343 -0.00828 0.00927 0.00076 -0.00207 3 17 8 -0.02230 0.00671 -0.00841 -0.00087 0.00198 1 18 8 -0.04101 0.00909 -0.00589 0.00004 -0.00007 2 18 8 -0.00982 0.00224 -0.00137 0.00001 0.00020 3 18 8 -0.00551 0.00183 -0.00233 -0.00016 -0.00010 1 19 6 -0.02764 0.00507 0.00021 0.00061 -0.00171 2 19 6 -0.09397 0.02593 -0.03198 -0.00274 0.00483 3 19 6 -0.02479 0.00289 0.00123 0.00088 -0.00484 1 20 1 0.15929 -0.05946 0.10570 0.01326 -0.03625 2 20 1 0.21026 -0.06176 0.08524 0.00830 -0.01607 3 20 1 0.05594 -0.01090 0.00501 -0.00089 0.00709 1 21 1 -0.42425 0.12281 -0.15037 -0.01266 0.02353 2 21 1 -0.08485 0.02160 -0.02371 -0.00162 0.00132 3 21 1 0.05437 -0.00769 -0.00187 -0.00188 0.01034 1 22 1 0.23925 -0.04332 0.03596 -0.00032 0.01961 2 22 1 0.21757 -0.05798 0.07459 0.00634 -0.00771 3 22 1 -0.01153 0.00721 -0.01333 -0.00177 0.00578 1 23 6 -0.02163 0.00750 -0.01047 0.00031 0.00442 2 23 6 -0.02779 0.01399 -0.01567 -0.00086 -0.00012 3 23 6 -0.00625 0.01767 -0.00287 0.00195 0.00010 1 24 6 -0.00225 -0.05561 -0.06632 -0.01416 0.00009 2 24 6 -0.05736 -0.04690 -0.11649 -0.01924 -0.00111 3 24 6 0.00677 0.06210 0.10393 0.02109 0.00117 1 25 6 -0.00033 0.01064 0.00250 0.00092 0.00032 2 25 6 0.08149 0.04218 0.13341 0.02090 0.00054 3 25 6 0.06291 0.02387 0.07681 0.01147 0.00031 1 26 6 -0.02551 -0.02151 -0.04701 -0.00845 -0.00058 2 26 6 -0.01740 0.01873 0.00673 0.00347 0.00112 3 26 6 -0.01576 0.00803 0.01650 0.00414 0.00122 1 27 6 0.08006 -0.00749 0.06331 0.00973 -0.00405 2 27 6 -0.01652 -0.00749 0.00230 -0.00048 0.00237 3 27 6 -0.00103 0.00577 -0.01812 -0.00293 -0.00004 1 28 1 -0.01564 0.02008 0.00816 0.00463 0.00354 2 28 1 -0.00885 0.02943 -0.06189 -0.00732 0.00293 3 28 1 -0.01625 0.01716 0.04871 0.01063 -0.00347 1 29 1 -0.06577 -0.09510 -0.09014 -0.02368 0.00043 2 29 1 0.14692 0.03432 0.19386 0.02605 -0.00070 3 29 1 0.11134 0.06937 0.13536 0.02391 -0.00006 1 30 1 0.08388 0.18651 0.23335 0.04978 0.00426 2 30 1 -0.07084 -0.04214 -0.09833 -0.01629 0.00054 3 30 1 -0.07527 0.03790 -0.02639 0.00209 0.00472 1 31 1 0.04152 -0.01206 0.11963 0.01955 -0.00423 2 31 1 -0.00395 -0.01124 0.05720 0.01029 0.00367 3 31 1 -0.00959 0.01280 -0.09810 -0.01864 -0.00201 1 32 1 -0.04829 -0.06798 -0.10883 -0.01868 -0.00159 2 32 1 -0.12519 -0.05783 -0.20904 -0.03675 -0.00021 3 32 1 0.05421 0.06767 0.16352 0.03189 0.00068 1 33 8 -0.00155 -0.02009 -0.03338 -0.00748 -0.00157 2 33 8 0.01857 0.00749 0.02812 0.00397 0.00035 3 33 8 0.00080 -0.03136 -0.04141 -0.00999 -0.00137 1 34 8 -0.01254 0.06402 0.08828 0.01992 0.00048 2 34 8 -0.01177 0.03572 0.05694 0.01740 0.00021 3 34 8 0.00363 -0.04285 -0.06260 -0.01635 -0.00041 1 35 8 0.01239 0.01012 0.02124 0.00360 0.00014 2 35 8 -0.02834 -0.01414 -0.04477 -0.00712 -0.00022 3 35 8 -0.04491 -0.01948 -0.06112 -0.00937 -0.00019 1 36 1 0.01150 0.00395 0.01807 0.00261 0.00012 2 36 1 -0.05644 -0.06886 -0.09608 -0.01746 -0.00011 3 36 1 -0.07195 -0.08304 -0.11879 -0.02342 -0.00041 1 37 8 0.00112 0.00066 0.00530 0.00085 0.00030 2 37 8 0.00696 -0.01204 -0.00948 -0.00277 -0.00085 3 37 8 0.00156 -0.01218 -0.01467 -0.00321 -0.00074 1 38 1 0.01405 0.01623 0.03063 0.00543 0.00027 2 38 1 0.10006 0.09154 0.16055 0.02936 0.00001 3 38 1 0.10384 0.07703 0.15552 0.02759 -0.00112 1 39 6 0.01102 -0.00017 0.00927 0.00091 0.00402 2 39 6 0.00654 0.00231 -0.00850 -0.00069 0.00231 3 39 6 -0.00586 -0.00123 -0.00197 -0.00041 -0.00139 1 40 8 -0.00490 0.00046 -0.00569 -0.00090 -0.05376 2 40 8 0.00232 -0.00246 0.01104 0.00141 -0.02597 3 40 8 0.00027 0.00027 -0.00182 -0.00050 0.02261 1 41 8 -0.00108 -0.00038 0.00055 0.00005 -0.00305 2 41 8 -0.00123 0.00036 0.00186 0.00037 -0.00083 3 41 8 0.00402 -0.00008 0.00547 0.00076 0.00223 1 42 6 0.00380 0.00039 0.00233 0.00051 0.11352 2 42 6 -0.00098 0.00115 -0.00427 -0.00052 0.05335 3 42 6 -0.00071 -0.00109 0.00418 0.00078 -0.05057 1 43 1 -0.01108 0.00012 0.00050 0.00036 -0.46950 2 43 1 0.01087 0.00114 0.00186 -0.00056 0.28134 3 43 1 -0.00667 -0.00102 0.00384 0.00064 -0.32295 1 44 1 0.00417 0.00303 -0.00195 0.00052 0.22317 2 44 1 -0.00822 -0.00798 0.00732 -0.00052 -0.46119 3 44 1 0.01259 0.00699 -0.00326 0.00025 0.47081 1 45 1 -0.00103 -0.00159 0.00178 -0.00029 -0.27333 2 45 1 -0.00556 -0.00023 0.00073 0.00049 -0.06100 3 45 1 0.00622 0.00071 -0.00279 -0.00083 0.08838 1 46 6 -0.07555 0.05639 0.06295 0.01116 0.00018 2 46 6 0.02948 -0.01528 -0.01596 0.00948 0.00001 3 46 6 -0.05950 0.05221 0.05936 0.03403 0.00025 1 47 6 -0.03442 0.02645 0.02976 0.00455 0.00017 2 47 6 0.05754 -0.04027 -0.04088 -0.02287 -0.00007 3 47 6 -0.01763 0.01091 0.00878 0.00814 0.00000 1 48 6 0.04958 -0.03872 -0.04575 -0.01730 -0.00012 2 48 6 -0.06879 0.04204 0.03829 0.01448 0.00009 3 48 6 0.00529 0.00314 0.01058 0.01018 -0.00004 1 49 6 -0.06931 0.04129 0.03998 0.01534 0.00013 2 49 6 0.05897 -0.04751 -0.05133 -0.02139 -0.00017 3 49 6 -0.00726 -0.01359 -0.02647 -0.01837 -0.00006 1 50 6 0.08812 -0.06871 -0.07269 -0.02639 -0.00017 2 50 6 0.02558 -0.05095 -0.07272 -0.02578 -0.00034 3 50 6 -0.00424 0.00773 0.00924 0.00744 0.00001 1 51 1 -0.10227 0.06166 0.06354 0.00006 0.00001 2 51 1 0.06900 -0.03482 -0.03601 0.02894 0.00032 3 51 1 -0.02037 0.02360 0.02556 0.05060 0.00057 1 52 1 0.12526 -0.08782 -0.09978 -0.05141 -0.00030 2 52 1 -0.09178 0.05870 0.05887 0.01874 0.00016 3 52 1 0.03974 -0.01235 0.00213 -0.02250 -0.00009 1 53 1 -0.24198 0.12335 0.09022 0.03642 0.00015 2 53 1 0.16427 -0.10050 -0.08397 -0.04395 -0.00017 3 53 1 0.03286 -0.03687 -0.03821 -0.04434 -0.00003 1 54 1 0.13079 -0.07440 -0.06329 -0.04775 -0.00049 2 54 1 0.04875 -0.05232 -0.07053 -0.05552 -0.00058 3 54 1 -0.04061 0.01148 -0.00619 0.00048 0.00017 1 55 1 0.05376 -0.03536 -0.03373 -0.02213 0.00000 2 55 1 0.10147 -0.06157 -0.05548 -0.03525 -0.00002 3 55 1 -0.04835 0.04330 0.04973 0.02019 0.00021 1 56 8 0.04915 -0.03612 -0.04043 -0.00586 -0.00014 2 56 8 -0.04453 0.03046 0.03284 0.00598 0.00009 3 56 8 0.02527 -0.02076 -0.02313 -0.01186 -0.00007 1 57 8 -0.00379 0.00214 0.00179 0.00363 -0.00002 2 57 8 -0.02119 0.01393 0.01282 0.01159 0.00000 3 57 8 0.01738 -0.01177 -0.01194 -0.00519 -0.00001 1 58 1 -0.04313 0.03579 0.04380 0.01116 0.00009 2 58 1 -0.09361 0.06798 0.07875 0.02239 0.00012 3 58 1 0.01124 -0.00433 -0.00210 -0.00312 0.00004 1 59 8 -0.01337 0.01195 0.01629 0.00948 0.00001 2 59 8 0.00245 -0.00002 0.00148 0.00103 0.00001 3 59 8 0.01199 -0.00971 -0.01238 -0.00545 0.00000 1 60 1 -0.04269 0.01245 -0.00069 -0.02939 0.00000 2 60 1 -0.00465 0.00117 0.00076 0.00129 0.00001 3 60 1 0.02477 -0.01041 -0.00645 0.00782 0.00000 1 61 8 0.00868 -0.00231 -0.00040 0.00108 -0.00001 2 61 8 -0.00872 0.01258 0.01640 0.00854 0.00005 3 61 8 -0.00529 0.01267 0.01730 0.01198 0.00007 1 62 1 0.00916 -0.00210 0.00098 -0.00681 0.00001 2 62 1 0.01221 -0.00538 0.00081 -0.00750 -0.00006 3 62 1 0.03993 -0.02555 -0.01391 -0.03678 -0.00012 1 63 6 0.00058 0.00206 0.00250 0.00191 0.00000 2 63 6 -0.00590 0.00630 0.00814 0.00105 -0.00005 3 63 6 -0.01503 0.01272 0.01960 -0.03050 -0.00017 1 64 8 0.00842 -0.00844 -0.01289 0.00343 0.00004 2 64 8 0.00657 -0.01008 -0.02205 0.04436 -0.00006 3 64 8 0.00421 -0.00006 0.00704 -0.03030 0.00006 1 65 8 0.01063 -0.00632 -0.00447 -0.00318 -0.00002 2 65 8 -0.00096 0.00280 0.00487 -0.00193 0.00002 3 65 8 0.00038 -0.00051 -0.00084 0.00508 0.00000 1 66 6 -0.01113 0.01063 0.01567 -0.00710 -0.00003 2 66 6 0.00210 0.00856 0.03349 -0.10548 0.00017 3 66 6 0.02009 -0.02602 -0.04950 0.07447 -0.00003 1 67 1 0.04808 -0.11386 -0.29746 0.71428 -0.00078 2 67 1 -0.00782 -0.00854 -0.04475 0.16025 -0.00024 3 67 1 -0.03685 0.02364 0.01030 0.09502 -0.00027 1 68 1 -0.10541 0.14499 0.28801 -0.46424 0.00038 2 68 1 -0.02337 0.00201 -0.03648 0.18214 -0.00036 3 68 1 -0.04280 0.05611 0.10697 -0.15867 0.00012 1 69 1 0.09146 -0.07024 -0.05709 -0.15382 0.00070 2 69 1 0.02061 -0.03546 -0.08123 0.16615 -0.00017 3 69 1 -0.01614 0.04028 0.10632 -0.25492 0.00033 1 70 19 0.00043 -0.00032 -0.00015 0.00004 -0.00005 2 70 19 0.00013 -0.00070 -0.00080 -0.00018 -0.00001 3 70 19 -0.00004 0.00030 0.00035 0.00004 0.00000 121 122 123 124 125 A A A A A Frequencies --- 1181.2648 1197.2963 1203.8376 1215.7470 1234.4970 Reduced masses --- 1.2944 1.3911 1.6189 1.4521 1.2910 Force constants --- 1.0642 1.1749 1.3823 1.2645 1.1592 IR Intensities --- 6.6726 22.4523 44.3561 5.4462 17.3881 Coord Atom Element: 1 1 6 0.00326 0.00006 0.00293 0.00037 0.00025 2 1 6 -0.02870 -0.00021 -0.08112 -0.00043 -0.00103 3 1 6 -0.02239 -0.00012 -0.08831 0.00002 -0.00087 1 2 6 -0.00684 0.00093 -0.01097 0.00030 -0.00129 2 2 6 -0.00886 0.00137 -0.00644 0.00136 0.00243 3 2 6 0.00108 -0.00016 0.00900 -0.00097 -0.00055 1 3 6 0.00684 -0.00021 0.01943 0.00035 0.00010 2 3 6 0.01227 0.00014 0.02541 -0.00076 -0.00075 3 3 6 -0.01847 -0.00058 -0.06200 0.00024 0.00000 1 4 6 0.01735 0.00040 0.02907 0.00166 0.00135 2 4 6 -0.01294 -0.00011 -0.00951 -0.00088 -0.00075 3 4 6 0.01757 0.00025 0.06625 0.00011 0.00029 1 5 6 -0.00592 -0.00005 -0.01300 -0.00090 -0.00057 2 5 6 0.00892 0.00018 0.00436 0.00069 0.00067 3 5 6 0.00085 0.00005 -0.02972 0.00054 0.00005 1 6 1 0.00826 0.00191 0.09081 -0.01547 -0.01023 2 6 1 0.00176 -0.00038 -0.07914 0.00803 0.00254 3 6 1 -0.02661 0.00135 -0.07344 -0.01071 -0.00937 1 7 1 0.05560 0.00133 0.20487 -0.00818 -0.00292 2 7 1 -0.08258 0.00010 -0.20628 0.00049 0.00124 3 7 1 0.00467 0.00117 0.08605 -0.00740 -0.00199 1 8 1 0.01329 -0.00034 0.07657 -0.00069 0.00001 2 8 1 0.01725 0.00003 0.04709 0.00097 0.00101 3 8 1 0.07456 -0.00075 0.28392 -0.00326 0.00112 1 9 1 -0.02846 0.00256 -0.06192 0.00821 0.00118 2 9 1 -0.01201 0.00228 -0.01336 0.00478 0.00362 3 9 1 0.01642 0.00106 0.04804 0.00036 -0.00002 1 10 8 -0.00649 0.00008 -0.01062 0.00029 0.00013 2 10 8 0.01336 -0.00028 0.02398 -0.00042 -0.00043 3 10 8 0.00924 -0.00025 0.01808 -0.00021 -0.00003 1 11 8 0.01032 -0.00206 0.00689 -0.00138 0.00036 2 11 8 0.00484 -0.00059 0.00810 0.00038 -0.00107 3 11 8 -0.00699 0.00109 -0.00996 0.00093 0.00144 1 12 8 -0.00432 -0.00033 -0.01803 0.00070 0.00088 2 12 8 0.00152 0.00021 0.00658 -0.00029 -0.00050 3 12 8 0.00710 0.00018 0.02654 0.00021 0.00018 1 13 1 0.01321 0.00196 0.06041 -0.00538 -0.00701 2 13 1 -0.01558 -0.00221 -0.07223 0.00686 0.00831 3 13 1 -0.01634 -0.00290 -0.07770 0.00842 0.01076 1 14 8 -0.01203 -0.00032 -0.03123 0.00024 -0.00013 2 14 8 0.00077 -0.00004 0.00127 -0.00001 0.00001 3 14 8 -0.00478 -0.00024 -0.01868 0.00099 0.00045 1 15 1 0.00573 0.00133 0.09769 -0.01173 -0.00579 2 15 1 -0.00674 -0.00008 -0.02249 0.00046 0.00015 3 15 1 0.00975 0.00142 0.09953 -0.01070 -0.00511 1 16 6 0.00209 -0.00008 -0.01251 -0.00004 -0.00001 2 16 6 0.00820 -0.00009 0.03781 0.00011 -0.00005 3 16 6 -0.00999 -0.00023 0.05750 -0.00015 -0.00002 1 17 8 -0.02608 -0.00014 -0.02623 0.00005 -0.00070 2 17 8 0.03218 -0.00030 0.03647 -0.00004 0.00040 3 17 8 -0.03825 -0.00023 0.03972 -0.00002 0.00050 1 18 8 0.00931 0.00018 0.01476 -0.00002 0.00034 2 18 8 -0.00137 0.00009 -0.00144 -0.00003 0.00006 3 18 8 0.00413 0.00012 -0.00471 0.00006 0.00003 1 19 6 0.03411 -0.00008 0.03765 -0.00009 0.00055 2 19 6 -0.06963 0.00062 -0.07346 0.00011 -0.00045 3 19 6 0.10575 0.00067 -0.08741 0.00009 -0.00051 1 20 1 0.67969 0.00094 -0.08160 -0.00007 -0.00023 2 20 1 0.25577 -0.00134 0.19737 -0.00033 0.00141 3 20 1 -0.16531 -0.00153 0.20083 -0.00023 0.00140 1 21 1 -0.33358 0.00390 -0.45927 0.00084 -0.00329 2 21 1 -0.00173 0.00079 -0.09707 0.00011 -0.00058 3 21 1 -0.22674 -0.00158 0.20947 -0.00020 0.00127 1 22 1 -0.46550 -0.00399 0.52517 -0.00062 0.00286 2 22 1 0.08415 -0.00207 0.27801 -0.00044 0.00183 3 22 1 -0.10813 -0.00005 -0.00192 0.00004 -0.00023 1 23 6 0.00204 0.00153 0.00207 0.00868 -0.00425 2 23 6 0.00191 -0.00048 -0.00001 0.00120 -0.00453 3 23 6 0.00092 0.00179 0.00379 0.00662 -0.00392 1 24 6 0.00071 0.00176 -0.00097 -0.00119 0.00061 2 24 6 0.00559 0.00156 0.00310 0.00147 0.00004 3 24 6 -0.00357 0.00032 -0.00117 -0.00049 -0.00647 1 25 6 0.00021 -0.00031 0.00016 0.00209 0.00212 2 25 6 -0.00775 -0.00224 -0.00575 -0.00340 -0.00267 3 25 6 -0.00384 -0.00212 -0.00221 -0.00389 -0.00605 1 26 6 0.00337 -0.00094 0.00357 -0.00241 -0.00462 2 26 6 0.00159 0.00212 0.00310 0.00583 0.00636 3 26 6 0.00030 0.00322 0.00099 0.00072 0.01474 1 27 6 -0.00881 0.00196 -0.00480 0.00297 0.00326 2 27 6 0.00129 -0.00013 0.00021 -0.00602 0.00383 3 27 6 0.00096 -0.00112 -0.00078 -0.00023 -0.00462 1 28 1 0.00165 0.00321 0.00554 0.05141 -0.00394 2 28 1 0.00126 -0.00034 0.00188 -0.06273 -0.00766 3 28 1 0.00131 0.00319 0.00586 0.09789 -0.00103 1 29 1 0.00322 -0.02074 0.00568 -0.01403 -0.11011 2 29 1 -0.01546 -0.01096 -0.01804 -0.01173 -0.00683 3 29 1 -0.00750 0.00458 -0.00866 0.00073 0.04538 1 30 1 0.00111 0.01271 0.01686 0.00377 0.03192 2 30 1 0.00331 0.00011 -0.00214 0.01133 0.00938 3 30 1 0.00435 0.01107 -0.00071 0.02377 0.06263 1 31 1 -0.01236 0.00511 -0.01313 0.00711 0.02241 2 31 1 -0.00238 0.00694 -0.00484 0.00541 0.02720 3 31 1 0.00612 -0.01168 0.00731 -0.01812 -0.04068 1 32 1 0.00329 0.00820 -0.00001 -0.00483 0.00479 2 32 1 0.01188 0.00110 0.00671 0.00970 -0.00257 3 32 1 -0.00773 -0.00054 -0.00358 -0.00572 -0.00531 1 33 8 0.00117 -0.00185 -0.00001 -0.00036 0.00227 2 33 8 -0.00139 -0.00049 -0.00070 -0.00487 0.00071 3 33 8 0.00105 -0.00230 -0.00102 -0.00391 0.00311 1 34 8 -0.00194 0.00168 0.00013 0.00010 -0.00746 2 34 8 -0.00168 0.01200 -0.00041 -0.00058 0.00246 3 34 8 0.00163 -0.00687 0.00004 -0.00003 0.00691 1 35 8 -0.00118 0.00038 -0.00130 0.00030 0.00608 2 35 8 0.00212 0.00073 0.00076 0.00224 0.00505 3 35 8 0.00310 0.00127 0.00165 0.00259 0.00278 1 36 1 -0.00062 -0.00080 0.00048 -0.00161 -0.00480 2 36 1 0.00725 -0.00326 0.01361 -0.00990 -0.06735 3 36 1 0.00916 -0.00970 0.01718 -0.01295 -0.08729 1 37 8 -0.00088 0.00001 -0.00192 0.00051 0.00094 2 37 8 -0.00068 -0.00124 -0.00180 -0.00267 -0.00530 3 37 8 -0.00020 -0.00073 -0.00137 -0.00059 -0.00343 1 38 1 -0.00064 0.00003 0.00215 -0.00024 0.00032 2 38 1 0.00012 0.00138 0.01648 -0.00565 -0.00603 3 38 1 -0.00387 0.00096 0.01244 -0.00473 -0.00654 1 39 6 -0.00156 -0.00089 -0.00289 -0.02372 0.00137 2 39 6 0.00133 0.00167 0.00470 0.02886 -0.00266 3 39 6 0.00046 -0.00016 0.00016 -0.01396 0.00005 1 40 8 -0.00241 -0.00001 0.00008 0.00781 -0.00096 2 40 8 -0.00213 -0.00047 -0.00107 0.06248 0.00127 3 40 8 0.00113 -0.00069 0.00014 0.08116 -0.00084 1 41 8 -0.00001 0.00006 0.00010 -0.00305 0.00018 2 41 8 -0.00018 0.00004 -0.00061 -0.02108 0.00047 3 41 8 -0.00038 0.00013 -0.00080 -0.02698 0.00084 1 42 6 0.00596 -0.00008 0.00072 0.00108 0.00044 2 42 6 0.00290 0.00016 -0.00045 -0.10440 0.00011 3 42 6 -0.00294 0.00060 -0.00118 -0.10764 0.00124 1 43 1 -0.02399 0.00208 0.00045 -0.09750 0.00014 2 43 1 0.01444 -0.00331 0.00251 0.47809 -0.00207 3 43 1 -0.01689 0.00118 -0.00059 -0.04909 0.00056 1 44 1 0.01210 0.00104 0.00094 -0.22641 0.00111 2 44 1 -0.02541 -0.00184 -0.00354 0.35036 -0.00093 3 44 1 0.02584 -0.00057 0.00615 0.11400 -0.00077 1 45 1 -0.01417 -0.00042 0.00197 0.36373 -0.00267 2 45 1 -0.00382 0.00128 -0.00437 -0.43462 0.00297 3 45 1 0.00536 -0.00137 0.00475 0.44277 -0.00329 1 46 6 -0.00074 0.00598 0.00010 -0.00008 -0.00171 2 46 6 -0.00005 0.02039 0.00006 0.00007 -0.00334 3 46 6 -0.00117 0.03652 -0.00006 -0.00012 0.00962 1 47 6 -0.00039 0.00084 -0.00021 -0.00011 0.00524 2 47 6 0.00051 -0.01456 0.00001 -0.00009 -0.08078 3 47 6 -0.00002 0.01005 0.00012 0.00007 0.03683 1 48 6 0.00082 -0.00982 0.00000 0.00020 0.01084 2 48 6 -0.00010 0.01462 0.00028 0.00007 0.03882 3 48 6 -0.00061 0.00204 -0.00015 -0.00016 -0.02047 1 49 6 -0.00036 0.01791 0.00031 -0.00020 -0.05681 2 49 6 0.00078 -0.01820 0.00035 0.00019 -0.01773 3 49 6 0.00117 -0.01070 0.00079 0.00027 -0.02077 1 50 6 0.00086 -0.02545 -0.00030 0.00010 0.03441 2 50 6 0.00182 -0.02148 0.00015 0.00019 -0.01749 3 50 6 -0.00029 0.00734 0.00000 -0.00005 -0.04405 1 51 1 -0.00029 -0.04234 0.00012 -0.00026 -0.15699 2 51 1 -0.00049 0.12717 -0.00018 0.00007 0.15786 3 51 1 -0.00137 0.15420 -0.00044 -0.00036 0.09134 1 52 1 0.00215 -0.03202 0.00028 0.00089 0.36528 2 52 1 -0.00057 0.01759 0.00005 -0.00001 0.00681 3 52 1 -0.00041 -0.01848 -0.00067 0.00059 0.37220 1 53 1 0.00158 0.05703 0.00284 0.00116 0.11474 2 53 1 -0.00023 -0.03829 -0.00117 -0.00083 0.05488 3 53 1 0.00098 -0.01201 0.00024 -0.00049 0.33333 1 54 1 -0.00012 -0.09307 -0.00193 -0.00037 -0.03811 2 54 1 0.00208 -0.07408 -0.00053 0.00042 0.09410 3 54 1 0.00161 0.04242 0.00158 0.00088 0.20801 1 55 1 0.00032 -0.02990 -0.00040 -0.00026 -0.08275 2 55 1 0.00024 -0.02772 -0.00038 -0.00042 -0.31111 3 55 1 -0.00096 0.02531 -0.00014 -0.00014 -0.11793 1 56 8 0.00047 0.00184 0.00012 0.00004 -0.01673 2 56 8 -0.00034 -0.00066 -0.00005 -0.00005 0.01216 3 56 8 0.00040 -0.00793 -0.00002 0.00007 -0.00634 1 57 8 -0.00003 0.00284 0.00004 0.00003 0.00748 2 57 8 -0.00015 0.00864 0.00010 0.00006 0.05286 3 57 8 0.00012 -0.00410 -0.00002 -0.00004 -0.01242 1 58 1 -0.00080 0.00291 -0.00032 -0.00011 -0.09371 2 58 1 -0.00119 0.00984 -0.00041 0.00002 -0.17602 3 58 1 -0.00011 -0.00460 -0.00015 -0.00011 -0.02530 1 59 8 -0.00045 0.00316 -0.00003 -0.00015 -0.02906 2 59 8 -0.00013 -0.00022 -0.00008 -0.00004 -0.01207 3 59 8 0.00027 -0.00294 -0.00002 0.00004 -0.00295 1 60 1 0.00140 -0.00184 0.00081 0.00105 0.29409 2 60 1 0.00000 0.00126 -0.00003 -0.00004 -0.00284 3 60 1 -0.00041 -0.00169 -0.00034 -0.00037 -0.11512 1 61 8 -0.00013 -0.00086 -0.00021 -0.00005 0.01032 2 61 8 -0.00042 0.00446 -0.00029 -0.00007 0.00113 3 61 8 -0.00051 0.00651 -0.00020 0.00001 -0.02106 1 62 1 -0.00016 -0.00506 -0.00054 0.00007 0.08392 2 62 1 -0.00021 -0.00343 -0.00063 -0.00030 0.12997 3 62 1 -0.00012 -0.01874 -0.00155 -0.00057 0.38324 1 63 6 -0.00004 0.00100 0.00011 0.00012 0.00304 2 63 6 -0.00005 -0.04109 -0.00012 0.00000 0.01857 3 63 6 0.00026 -0.08620 0.00005 0.00016 -0.01063 1 64 8 0.00011 0.04051 0.00025 0.00003 -0.00180 2 64 8 0.00002 -0.02290 -0.00010 -0.00011 0.00050 3 64 8 0.00000 -0.01189 -0.00019 -0.00023 0.00331 1 65 8 0.00000 -0.01798 -0.00022 -0.00008 0.00710 2 65 8 -0.00011 0.00458 0.00000 0.00001 -0.00421 3 65 8 -0.00006 0.00453 -0.00008 -0.00003 0.00250 1 66 6 -0.00010 -0.04179 -0.00023 -0.00004 -0.00002 2 66 6 0.00008 0.08290 0.00027 0.00017 -0.00487 3 66 6 0.00016 0.09199 0.00045 0.00037 -0.00321 1 67 1 -0.00013 -0.11224 -0.00020 -0.00002 0.01622 2 67 1 -0.00023 -0.15338 -0.00063 -0.00049 0.00899 3 67 1 -0.00043 -0.29341 -0.00123 -0.00089 0.01184 1 68 1 -0.00102 -0.37204 -0.00225 -0.00180 0.01149 2 68 1 -0.00031 -0.25960 -0.00096 -0.00066 0.01156 3 68 1 -0.00046 -0.17302 -0.00099 -0.00084 0.00629 1 69 1 0.00086 0.73166 0.00269 0.00179 -0.03062 2 69 1 0.00013 0.03494 0.00031 0.00032 0.00021 3 69 1 -0.00003 0.05779 0.00001 -0.00008 -0.00600 1 70 19 -0.00006 0.00023 -0.00006 -0.00002 -0.00001 2 70 19 -0.00004 -0.00006 -0.00006 -0.00006 0.00000 3 70 19 0.00000 -0.00009 0.00008 -0.00024 0.00000 126 127 128 129 130 A A A A A Frequencies --- 1236.4506 1246.4526 1271.1696 1280.4974 1281.3699 Reduced masses --- 1.3118 1.2049 1.2178 2.2208 1.5297 Force constants --- 1.1816 1.1029 1.1594 2.1454 1.4798 IR Intensities --- 4.8447 40.4700 50.3812 251.5378 32.9302 Coord Atom Element: 1 1 6 -0.01673 0.00217 -0.00145 0.00358 0.00629 2 1 6 0.04312 -0.00163 0.00136 0.00589 -0.00359 3 1 6 0.02680 0.00057 -0.00025 0.01344 0.00407 1 2 6 -0.00232 0.00313 0.00132 0.02267 0.01076 2 2 6 -0.05763 -0.00414 -0.00015 -0.00114 0.00107 3 2 6 0.04812 -0.00364 0.00068 0.00177 -0.00654 1 3 6 0.00773 -0.00086 -0.00007 -0.00106 -0.00297 2 3 6 0.03981 -0.00204 -0.00052 0.03202 0.02042 3 3 6 -0.01188 0.00235 0.00008 -0.00488 -0.00401 1 4 6 -0.08958 0.00505 0.00098 -0.06516 -0.03178 2 4 6 0.02186 0.00131 0.00002 -0.01398 -0.01841 3 4 6 -0.01268 -0.00061 0.00046 -0.00251 -0.00600 1 5 6 0.03240 -0.00142 0.00015 0.01184 0.00647 2 5 6 -0.02468 0.00045 -0.00077 0.00117 0.00670 3 5 6 -0.01804 0.00227 -0.00047 -0.00388 0.00242 1 6 1 0.43660 0.00327 -0.00318 -0.16642 -0.08352 2 6 1 -0.22831 0.01509 0.00281 -0.08991 -0.04101 3 6 1 0.26030 0.02278 -0.00058 -0.31449 -0.15725 1 7 1 0.25920 -0.02053 -0.00108 0.15158 0.07512 2 7 1 -0.01600 0.00143 -0.00035 -0.07116 -0.01721 3 7 1 0.25696 -0.02219 -0.00149 0.14281 0.08543 1 8 1 0.01168 -0.00472 0.00388 -0.02012 -0.02118 2 8 1 -0.03731 -0.00122 0.00117 -0.01594 -0.00893 3 8 1 0.02034 -0.01457 0.00936 -0.04184 -0.02553 1 9 1 -0.11969 0.00614 -0.00266 0.03801 0.06081 2 9 1 -0.12198 -0.00184 -0.00197 -0.01666 0.00543 3 9 1 -0.00861 -0.00009 0.00042 -0.08258 -0.07128 1 10 8 0.00249 -0.00064 -0.00012 -0.00331 -0.00350 2 10 8 -0.00106 0.00156 0.00028 -0.00099 0.00245 3 10 8 -0.01194 0.00120 0.00026 -0.00915 -0.00336 1 11 8 -0.00635 -0.00183 0.00105 0.00248 -0.01037 2 11 8 0.02841 0.00278 -0.00039 -0.00821 -0.00023 3 11 8 -0.01515 -0.00427 -0.00092 0.00048 0.01036 1 12 8 -0.02711 -0.00076 -0.00023 0.01670 0.00997 2 12 8 0.00918 0.00140 0.00021 -0.01959 -0.01027 3 12 8 0.00002 -0.00158 -0.00005 0.00824 0.00477 1 13 1 0.18229 0.01163 0.00168 -0.16120 -0.09061 2 13 1 -0.21081 -0.01506 -0.00243 0.19653 0.11064 3 13 1 -0.27736 -0.01875 -0.00270 0.25043 0.14128 1 14 8 0.00364 0.00028 -0.00017 0.00558 0.00283 2 14 8 0.00224 -0.00041 -0.00007 0.00593 0.00403 3 14 8 -0.03020 0.00173 0.00028 -0.01455 -0.00709 1 15 1 0.41189 -0.02552 -0.00407 0.23383 0.12078 2 15 1 -0.01149 0.00158 -0.00006 -0.01521 -0.00798 3 15 1 0.36992 -0.02309 -0.00364 0.20378 0.10513 1 16 6 -0.00323 -0.00177 0.00189 -0.01106 -0.01057 2 16 6 -0.00007 0.00107 -0.00123 0.01165 0.00684 3 16 6 0.00554 0.00076 -0.00122 0.01225 0.00826 1 17 8 0.02131 0.00032 -0.00048 0.01293 0.00492 2 17 8 -0.01282 -0.00073 0.00074 -0.00898 -0.00477 3 17 8 -0.01621 -0.00048 0.00058 -0.00996 -0.00464 1 18 8 -0.01002 0.00066 -0.00053 -0.00345 0.00138 2 18 8 -0.00106 0.00025 -0.00018 -0.00157 0.00124 3 18 8 -0.00155 -0.00014 0.00006 -0.00149 -0.00123 1 19 6 -0.01631 -0.00040 0.00047 -0.00927 -0.00417 2 19 6 0.01317 0.00043 -0.00031 0.00420 0.00182 3 19 6 0.01463 0.00034 -0.00027 0.00509 0.00221 1 20 1 0.00621 0.00085 -0.00120 0.00953 0.00747 2 20 1 -0.04160 -0.00097 0.00049 -0.01249 -0.00408 3 20 1 -0.04102 -0.00143 0.00137 -0.01980 -0.00976 1 21 1 0.10328 0.00472 -0.00474 0.05192 0.02997 2 21 1 0.01676 0.00055 -0.00042 0.00602 0.00279 3 21 1 -0.03803 -0.00118 0.00107 -0.01659 -0.00845 1 22 1 -0.07976 0.00021 -0.00073 -0.01128 0.00115 2 22 1 -0.05202 -0.00063 0.00025 -0.01235 -0.00227 3 22 1 0.00737 0.00074 -0.00072 0.00748 0.00449 1 23 6 -0.00497 0.01549 0.00153 0.05066 -0.04181 2 23 6 -0.00335 0.02889 0.00086 -0.05339 0.01679 3 23 6 0.01244 0.02089 0.00117 0.02288 -0.03253 1 24 6 0.00254 0.02067 -0.00130 -0.00114 -0.02927 2 24 6 -0.00330 -0.01922 -0.00426 0.01214 0.03200 3 24 6 0.00248 0.02575 0.00758 -0.02104 -0.02987 1 25 6 -0.00194 -0.01593 -0.00621 0.02719 0.04027 2 25 6 0.00419 0.01924 0.00560 -0.01991 -0.04391 3 25 6 0.00082 0.04190 -0.00107 0.00588 -0.02465 1 26 6 -0.00013 0.01380 0.00693 -0.03103 -0.03406 2 26 6 -0.00606 -0.02474 -0.00596 0.03401 0.03355 3 26 6 -0.00205 -0.06439 -0.00174 -0.00846 0.02419 1 27 6 0.00905 -0.01467 -0.00186 0.01071 0.00944 2 27 6 -0.00522 -0.01688 0.00136 -0.00410 -0.00446 3 27 6 -0.00230 0.02021 -0.00121 0.00495 -0.00031 1 28 1 0.00061 0.00894 -0.00264 0.17047 -0.07146 2 28 1 0.07083 0.06224 -0.00362 -0.24231 0.09828 3 28 1 -0.04090 -0.01322 0.00042 0.29014 -0.12489 1 29 1 -0.00388 0.55913 0.01298 0.03579 -0.07753 2 29 1 0.01740 0.02921 0.04011 -0.19323 -0.36285 3 29 1 0.00623 -0.22429 0.00135 -0.05551 -0.07629 1 30 1 -0.01143 -0.03738 -0.07511 0.26719 0.47895 2 30 1 -0.00264 -0.09984 0.02654 -0.05864 -0.19923 3 30 1 -0.00234 -0.34941 0.01209 0.01532 -0.14939 1 31 1 0.01186 -0.08506 -0.01739 -0.06948 0.13219 2 31 1 -0.03357 -0.12272 -0.01226 0.05598 0.03560 3 31 1 0.03901 0.18308 0.02005 -0.07630 -0.06883 1 32 1 0.00149 -0.00575 0.01600 -0.03206 -0.01562 2 32 1 -0.00391 -0.03740 0.01526 -0.04470 0.10737 3 32 1 0.00294 0.04084 -0.00567 0.01566 -0.07909 1 33 8 -0.00171 -0.01659 -0.00149 -0.00998 0.02677 2 33 8 -0.00004 -0.00408 0.00098 0.00285 0.00062 3 33 8 -0.00379 -0.02219 -0.00134 -0.01504 0.03088 1 34 8 -0.00027 0.00523 0.00669 -0.00872 -0.00521 2 34 8 0.00054 0.01350 -0.00694 -0.00405 -0.00945 3 34 8 0.00000 -0.00809 -0.00383 0.00322 0.00626 1 35 8 0.00063 -0.02916 0.00153 -0.00842 -0.00575 2 35 8 -0.00049 -0.03004 0.00005 0.00061 0.00800 3 35 8 -0.00133 -0.02156 -0.00062 0.00479 0.02254 1 36 1 -0.00049 0.03062 -0.00083 0.00496 0.00080 2 36 1 -0.00822 0.37346 -0.02129 0.09172 0.06396 3 36 1 -0.01006 0.46590 -0.01843 0.11446 0.08028 1 37 8 0.00079 -0.00639 0.00222 -0.00605 -0.01819 2 37 8 0.00317 0.02251 0.00276 -0.01546 -0.01370 3 37 8 0.00145 0.01044 0.00296 -0.01072 -0.01975 1 38 1 -0.00098 0.00916 -0.00614 0.02208 0.04004 2 38 1 -0.02387 0.11086 -0.05744 0.19286 0.39881 3 38 1 -0.01095 0.10354 -0.04903 0.16097 0.34234 1 39 6 0.00788 0.00587 -0.00119 -0.12093 0.06459 2 39 6 -0.00389 -0.01264 0.00224 0.23537 -0.12796 3 39 6 -0.00316 -0.00144 0.00033 0.00266 -0.00078 1 40 8 -0.00053 0.00024 0.00071 0.03705 -0.02182 2 40 8 0.00356 0.00423 -0.00124 -0.09865 0.05465 3 40 8 0.00429 0.00473 0.00022 -0.01770 0.00675 1 41 8 -0.00247 -0.00208 0.00009 0.01854 -0.00882 2 41 8 -0.00084 0.00096 -0.00038 -0.02454 0.01392 3 41 8 -0.00298 -0.00389 -0.00025 0.01083 -0.00278 1 42 6 0.00007 0.00020 -0.00036 -0.02131 0.01236 2 42 6 -0.00345 -0.00296 0.00050 0.02742 -0.01452 3 42 6 -0.00295 -0.00317 -0.00043 -0.01768 0.01182 1 43 1 -0.00605 -0.00741 0.00003 0.08067 -0.04193 2 43 1 0.01776 0.01949 -0.00067 -0.12815 0.06359 3 43 1 -0.00239 -0.00335 -0.00038 0.01603 -0.00714 1 44 1 -0.00854 -0.00886 0.00032 0.04465 -0.02029 2 44 1 0.01468 0.01597 -0.00118 -0.12854 0.06358 3 44 1 0.00096 0.00169 -0.00012 0.01910 -0.01053 1 45 1 0.00929 0.00602 0.00029 0.05517 -0.03209 2 45 1 -0.01086 -0.00929 -0.00013 -0.03588 0.02360 3 45 1 0.01012 0.00826 0.00044 0.07105 -0.04256 1 46 6 0.00000 0.00508 -0.00668 -0.00589 -0.00521 2 46 6 -0.00018 -0.00168 -0.00472 -0.00075 0.00218 3 46 6 0.00033 0.00508 0.00955 -0.00508 -0.00178 1 47 6 0.00040 0.00029 -0.02456 -0.00486 -0.00582 2 47 6 -0.00196 -0.01397 -0.05211 -0.00426 -0.00452 3 47 6 0.00086 0.00580 -0.00496 -0.00309 -0.00214 1 48 6 0.00017 -0.00136 0.02737 0.00878 0.00693 2 48 6 0.00084 0.00623 -0.04262 -0.00351 -0.00414 3 48 6 -0.00051 -0.00080 0.02141 0.00013 0.00138 1 49 6 -0.00133 -0.00110 0.01854 0.00177 -0.00077 2 49 6 -0.00094 0.00396 0.03528 0.02112 0.01192 3 49 6 -0.00112 0.00077 -0.02096 0.01651 0.00698 1 50 6 0.00088 0.00306 -0.02363 0.01067 0.00025 2 50 6 -0.00055 -0.01246 0.02928 -0.00121 0.00356 3 50 6 -0.00096 -0.00814 0.06002 -0.00744 0.00156 1 51 1 -0.00412 -0.02552 0.22640 0.01832 0.03709 2 51 1 0.00470 0.02258 -0.23498 0.00631 -0.02956 3 51 1 0.00351 0.00971 -0.09291 0.03577 -0.00397 1 52 1 0.00843 0.06016 -0.08102 -0.01215 -0.01927 2 52 1 0.00022 0.00192 0.14819 0.02107 0.02311 3 52 1 0.00916 0.06926 0.54444 0.05232 0.05889 1 53 1 0.00061 0.03191 -0.23500 0.04047 0.00795 2 53 1 0.00261 0.02206 0.05996 -0.01913 -0.02328 3 53 1 0.00897 0.07854 -0.24975 -0.03196 -0.06277 1 54 1 0.00012 -0.05139 0.14361 -0.04830 0.01557 2 54 1 0.00229 -0.03327 -0.10249 -0.02987 0.01055 3 54 1 0.00386 0.04856 -0.36169 0.04664 -0.01323 1 55 1 -0.00165 -0.01989 -0.14683 -0.01731 -0.02206 2 55 1 -0.00736 -0.06495 -0.08655 -0.00596 0.00935 3 55 1 -0.00274 -0.02836 0.07677 0.00695 0.02797 1 56 8 -0.00055 -0.00390 0.00641 0.00237 0.00333 2 56 8 0.00038 0.00368 0.01746 0.00054 -0.00004 3 56 8 -0.00018 -0.00227 -0.00300 0.00143 0.00091 1 57 8 0.00013 0.00154 0.00660 0.00050 0.00072 2 57 8 0.00123 0.01119 0.02770 0.00246 0.00017 3 57 8 -0.00029 -0.00165 -0.00796 -0.00006 -0.00152 1 58 1 -0.00207 -0.02330 -0.00966 -0.00630 0.00889 2 58 1 -0.00419 -0.04456 -0.04382 -0.01046 0.01852 3 58 1 -0.00046 -0.00516 -0.00113 -0.00124 -0.00022 1 59 8 -0.00067 -0.00395 -0.02435 -0.00539 -0.00440 2 59 8 -0.00022 -0.00223 0.01287 0.00018 0.00107 3 59 8 -0.00003 -0.00237 -0.02261 -0.00219 -0.00252 1 60 1 0.00617 0.06129 0.39427 0.07420 0.06485 2 60 1 -0.00013 0.00009 -0.00497 -0.00044 0.00011 3 60 1 -0.00235 -0.02556 -0.15934 -0.02939 -0.02575 1 61 8 0.00038 -0.00171 0.00455 -0.00467 -0.00036 2 61 8 0.00025 -0.00407 0.00109 -0.00632 -0.00129 3 61 8 -0.00046 -0.00450 0.00658 0.00126 0.00217 1 62 1 0.00281 0.00204 -0.03357 -0.01950 -0.01541 2 62 1 0.00363 0.01424 -0.02634 -0.03636 -0.01720 3 62 1 0.01127 0.04235 -0.12343 -0.09018 -0.05939 1 63 6 -0.00016 0.00043 -0.00134 -0.00001 0.00044 2 63 6 0.00032 0.00293 -0.00970 -0.00216 -0.00098 3 63 6 -0.00083 -0.00062 0.02465 -0.00736 0.00399 1 64 8 0.00000 -0.00052 -0.00645 0.00307 -0.00065 2 64 8 0.00021 -0.00092 -0.00734 0.00346 -0.00071 3 64 8 0.00052 -0.00129 -0.01882 0.00708 -0.00213 1 65 8 0.00027 0.00052 -0.00256 0.00003 -0.00027 2 65 8 -0.00011 0.00015 0.00324 -0.00076 -0.00017 3 65 8 0.00012 0.00059 -0.00204 0.00031 -0.00079 1 66 6 -0.00003 0.00000 0.00534 -0.00251 0.00070 2 66 6 -0.00026 0.00026 0.00647 -0.00194 0.00052 3 66 6 -0.00048 0.00115 0.01255 -0.00431 0.00137 1 67 1 0.00047 0.00097 -0.00472 0.00279 -0.00019 2 67 1 0.00079 -0.00117 -0.01904 0.00704 -0.00228 3 67 1 0.00120 -0.00216 -0.02946 0.00945 -0.00354 1 68 1 0.00246 -0.00578 -0.05470 0.01904 -0.00656 2 68 1 0.00094 -0.00144 -0.02464 0.00705 -0.00273 3 68 1 0.00122 -0.00270 -0.02881 0.01019 -0.00348 1 69 1 -0.00208 0.00520 0.04221 -0.01251 0.00141 2 69 1 -0.00038 0.00093 0.01012 -0.00429 0.00167 3 69 1 0.00000 -0.00062 0.00165 0.00070 -0.00042 1 70 19 0.00009 0.00005 -0.00009 -0.00057 -0.00009 2 70 19 0.00015 -0.00010 0.00004 0.00043 -0.00071 3 70 19 0.00004 0.00017 0.00002 -0.00056 0.00057 131 132 133 134 135 A A A A A Frequencies --- 1285.1091 1289.8298 1302.0685 1304.0849 1309.8571 Reduced masses --- 1.2905 1.4012 1.2909 1.4599 1.6456 Force constants --- 1.2557 1.3734 1.2894 1.4628 1.6635 IR Intensities --- 55.7015 69.2472 141.0223 43.5495 142.2340 Coord Atom Element: 1 1 6 0.02269 -0.00595 0.00180 -0.02826 -0.07916 2 1 6 -0.02841 0.00590 -0.00163 0.01652 0.09065 3 1 6 0.00003 -0.00229 0.00100 -0.01961 -0.03299 1 2 6 -0.05812 0.00716 -0.00048 0.00738 0.00863 2 2 6 -0.00890 0.00195 -0.00040 -0.00089 0.02918 3 2 6 -0.00123 0.00106 -0.00063 0.01025 0.03773 1 3 6 0.00472 -0.00032 -0.00003 -0.00675 0.01707 2 3 6 -0.03864 0.00186 0.00102 -0.03052 -0.03211 3 3 6 0.00712 -0.00056 -0.00016 0.03854 -0.00733 1 4 6 0.05488 -0.00028 -0.00185 0.01638 0.06725 2 4 6 0.03623 -0.00414 0.00158 -0.14540 0.03595 3 4 6 -0.00528 0.00196 -0.00003 -0.05276 0.04592 1 5 6 -0.01875 0.00190 -0.00033 0.02517 0.00120 2 5 6 0.00912 -0.00282 0.00045 0.03853 -0.06374 3 5 6 0.01441 -0.00318 0.00077 0.00802 -0.06223 1 6 1 0.29493 -0.03017 0.00101 -0.13740 -0.00824 2 6 1 0.04434 0.00441 -0.00437 0.34374 -0.02142 3 6 1 0.43383 -0.03454 -0.00390 0.24295 -0.03433 1 7 1 -0.19270 0.01445 0.00249 -0.12910 0.00256 2 7 1 0.07299 -0.00191 -0.00830 0.63886 -0.03969 3 7 1 -0.19127 0.01607 -0.00296 0.34875 -0.05963 1 8 1 -0.06063 0.01793 -0.00530 0.05534 0.25803 2 8 1 -0.01073 0.00532 -0.00209 0.05024 0.07280 3 8 1 -0.19364 0.05059 -0.01578 0.30083 0.63577 1 9 1 -0.11338 0.01390 0.00008 -0.05910 0.06127 2 9 1 0.02535 -0.00436 0.00241 -0.08552 -0.07841 3 9 1 0.21309 -0.03313 0.00933 -0.21923 -0.45891 1 10 8 0.00901 -0.00090 -0.00007 -0.00542 0.01322 2 10 8 -0.00603 0.00078 -0.00007 0.01460 -0.01907 3 10 8 0.00642 -0.00006 -0.00013 0.00510 -0.00726 1 11 8 0.01049 -0.00120 0.00035 0.00266 -0.01796 2 11 8 0.01539 -0.00218 0.00026 0.00116 -0.01307 3 11 8 -0.00624 0.00037 -0.00005 -0.00166 0.01128 1 12 8 -0.01899 0.00078 0.00040 0.00580 -0.02021 2 12 8 0.02288 -0.00126 -0.00049 0.01172 0.00973 3 12 8 -0.01002 0.00070 0.00008 -0.02515 0.00649 1 13 1 0.18995 -0.01014 -0.00313 0.02626 0.10854 2 13 1 -0.22714 0.01174 0.00390 -0.04380 -0.13127 3 13 1 -0.29280 0.01535 0.00491 -0.05842 -0.16541 1 14 8 0.00111 -0.00125 0.00042 -0.00561 -0.01619 2 14 8 -0.00728 0.00039 -0.00003 0.01372 -0.00972 3 14 8 0.01364 -0.00045 -0.00022 -0.00840 0.01406 1 15 1 -0.21764 0.00605 0.00350 0.12373 -0.23196 2 15 1 0.02124 -0.00166 -0.00012 0.00583 0.00851 3 15 1 -0.19168 0.00589 0.00284 0.11737 -0.19338 1 16 6 -0.00013 0.00102 -0.00025 0.02418 -0.02940 2 16 6 -0.00431 -0.00008 0.00012 -0.04313 0.04906 3 16 6 -0.01083 0.00132 -0.00029 -0.03835 0.07189 1 17 8 -0.01204 0.00128 -0.00016 -0.03608 0.05287 2 17 8 0.00638 -0.00056 0.00006 0.02328 -0.03607 3 17 8 0.00931 -0.00106 0.00018 0.02579 -0.04493 1 18 8 0.00629 -0.00079 0.00005 0.00820 -0.00762 2 18 8 0.00170 -0.00020 -0.00008 0.00561 -0.00268 3 18 8 0.00132 -0.00001 0.00000 0.00251 -0.00468 1 19 6 0.00745 -0.00066 0.00006 0.02625 -0.03569 2 19 6 -0.00342 0.00036 -0.00005 -0.00838 0.01242 3 19 6 -0.00459 0.00050 -0.00008 -0.01166 0.01822 1 20 1 -0.00399 0.00003 0.00003 -0.02755 0.04252 2 20 1 0.01093 -0.00109 0.00010 0.02832 -0.03545 3 20 1 0.01421 -0.00116 0.00009 0.05151 -0.07168 1 21 1 -0.03492 0.00280 -0.00032 -0.12039 0.18061 2 21 1 -0.00467 0.00044 -0.00007 -0.01209 0.01909 3 21 1 0.01259 -0.00106 0.00016 0.03894 -0.06196 1 22 1 0.02432 -0.00415 0.00090 0.00301 -0.03511 2 22 1 0.01449 -0.00197 0.00024 0.02329 -0.03136 3 22 1 -0.00247 -0.00020 0.00015 -0.02495 0.02508 1 23 6 0.00391 -0.00448 0.00213 0.00171 -0.00011 2 23 6 -0.02335 0.00833 -0.00041 -0.00093 -0.00597 3 23 6 0.00129 -0.00132 0.00239 -0.00212 -0.00643 1 24 6 -0.00836 0.00960 -0.00384 -0.00168 -0.00096 2 24 6 0.01638 0.01082 -0.00531 0.00123 0.00230 3 24 6 -0.02032 -0.00545 0.00657 -0.00226 -0.00540 1 25 6 0.02512 -0.00410 -0.00427 0.00438 0.00862 2 25 6 -0.02182 0.00679 0.00004 -0.00122 -0.00217 3 25 6 -0.00708 0.01433 -0.00188 0.00000 -0.00134 1 26 6 -0.02679 0.00842 0.00001 -0.00413 -0.01233 2 26 6 0.02494 -0.00842 0.00087 0.00343 0.00364 3 26 6 0.01043 -0.00117 -0.00093 -0.00094 -0.00058 1 27 6 0.00664 -0.00369 -0.00065 -0.00007 0.00386 2 27 6 0.00080 -0.00068 0.00052 -0.00197 -0.00414 3 27 6 -0.00340 0.00308 -0.00158 0.00223 -0.00163 1 28 1 0.05525 -0.02418 0.01313 0.01157 0.03400 2 28 1 -0.04810 0.03867 -0.00624 -0.02592 -0.02877 3 28 1 0.07178 -0.04392 0.01760 0.02737 0.04450 1 29 1 -0.04470 -0.05259 0.03583 0.00074 0.00393 2 29 1 -0.20643 0.09953 -0.00653 -0.03217 -0.08568 3 29 1 -0.03561 0.06933 -0.02341 -0.00878 -0.02737 1 30 1 0.28146 -0.10522 0.01544 0.03541 0.09480 2 30 1 -0.08902 0.04137 -0.00897 -0.01033 -0.03619 3 30 1 -0.01543 0.03325 -0.01528 -0.00191 -0.01112 1 31 1 0.07342 -0.00880 0.00040 0.00194 0.12560 2 31 1 0.03840 0.00417 -0.01001 0.00750 0.00362 3 31 1 -0.06447 -0.00394 0.01409 -0.01273 -0.02700 1 32 1 -0.02152 -0.11644 0.04413 -0.00348 0.00720 2 32 1 0.00800 -0.11236 0.03174 0.00119 0.00994 3 32 1 -0.01489 0.08204 -0.02032 -0.00221 -0.01108 1 33 8 0.00439 0.00183 -0.00181 0.00051 0.00087 2 33 8 0.00128 -0.00535 0.00025 0.00006 -0.00005 3 33 8 0.00324 0.00161 -0.00335 0.00030 0.00070 1 34 8 -0.00762 -0.00849 0.00376 -0.00046 -0.00313 2 34 8 -0.00435 0.01892 -0.00153 -0.00056 -0.00249 3 34 8 0.00384 -0.00970 -0.00165 0.00036 0.00216 1 35 8 -0.00352 0.00046 0.00053 -0.00107 -0.00162 2 35 8 0.00431 -0.00269 -0.00047 -0.00012 0.00062 3 35 8 0.01026 -0.01078 0.00155 0.00099 0.00415 1 36 1 0.00058 0.00109 0.00053 0.00061 0.00014 2 36 1 0.03636 -0.01532 0.00609 0.01171 0.01677 3 36 1 0.04618 -0.01051 0.00063 0.01427 0.01963 1 37 8 -0.00817 0.00342 -0.00020 -0.00057 -0.00068 2 37 8 -0.01165 0.00184 0.00063 -0.00137 -0.00073 3 37 8 -0.01194 0.00320 -0.00013 -0.00103 -0.00223 1 38 1 0.02398 -0.00753 0.00059 0.00231 0.00502 2 38 1 0.19544 -0.07021 0.00476 0.02584 0.04578 3 38 1 0.16957 -0.06138 0.00430 0.01919 0.04728 1 39 6 -0.02810 0.01472 -0.00474 -0.00791 -0.00876 2 39 6 0.05917 -0.02889 0.00845 0.01340 0.01686 3 39 6 0.00040 -0.00045 -0.00003 -0.00010 0.00091 1 40 8 0.00874 -0.00441 0.00144 0.00252 0.00227 2 40 8 -0.02407 0.01179 -0.00373 -0.00616 -0.00708 3 40 8 -0.00434 0.00217 -0.00063 -0.00084 -0.00171 1 41 8 0.00433 -0.00247 0.00085 0.00144 0.00188 2 41 8 -0.00649 0.00307 -0.00080 -0.00121 -0.00174 3 41 8 0.00298 -0.00187 0.00061 0.00183 0.00178 1 42 6 -0.00562 0.00262 -0.00083 -0.00082 -0.00131 2 42 6 0.00672 -0.00351 0.00111 0.00163 0.00261 3 42 6 -0.00436 0.00209 -0.00075 -0.00086 -0.00085 1 43 1 0.02136 -0.00955 0.00295 -0.00272 0.00536 2 43 1 -0.03185 0.01605 -0.00485 -0.00694 -0.01048 3 43 1 0.00488 -0.00170 0.00047 -0.00307 0.00076 1 44 1 0.01030 -0.00573 0.00157 0.00255 0.00453 2 44 1 -0.03043 0.01603 -0.00471 -0.00572 -0.01122 3 44 1 0.00406 -0.00177 0.00080 -0.00293 0.00144 1 45 1 0.01410 -0.00675 0.00212 0.00246 0.00173 2 45 1 -0.00860 0.00418 -0.00163 -0.00309 -0.00063 3 45 1 0.01725 -0.00870 0.00322 0.00551 0.00347 1 46 6 -0.00718 -0.02875 -0.05620 -0.00102 -0.00240 2 46 6 0.00106 0.00883 0.02435 0.00044 -0.00025 3 46 6 -0.00544 -0.02917 -0.02568 -0.00010 -0.00123 1 47 6 -0.00642 -0.03717 -0.03161 -0.00025 0.00059 2 47 6 -0.00348 -0.00497 0.00141 0.00002 -0.00078 3 47 6 -0.00281 -0.00961 0.02018 0.00028 0.00029 1 48 6 0.00870 0.03598 -0.02205 -0.00049 -0.00098 2 48 6 -0.00329 -0.00714 0.04329 0.00111 0.00088 3 48 6 0.00090 0.01149 -0.00274 -0.00042 -0.00116 1 49 6 0.00201 0.02929 -0.03057 -0.00191 -0.00268 2 49 6 0.01592 0.05265 -0.06916 0.00064 -0.00049 3 49 6 0.01439 0.07652 -0.03240 -0.00003 -0.00255 1 50 6 0.00808 0.04294 0.01625 0.00103 -0.00004 2 50 6 -0.00173 -0.04589 0.01386 0.00013 0.00373 3 50 6 -0.00686 -0.06689 0.01252 0.00000 0.00532 1 51 1 0.02250 0.00786 0.22231 0.00620 0.01276 2 51 1 0.00498 0.14301 -0.13937 -0.00683 -0.00485 3 51 1 0.03713 0.24434 0.04433 -0.00354 0.00936 1 52 1 -0.02918 -0.22570 -0.04391 0.00608 0.00998 2 52 1 0.02702 0.13924 0.06225 -0.00161 -0.00191 3 52 1 0.05059 0.14134 0.04122 -0.00092 0.00468 1 53 1 0.02623 0.09478 0.01241 0.00894 0.00557 2 53 1 -0.02080 -0.04460 0.02738 -0.00385 -0.00452 3 53 1 -0.04156 -0.06542 0.23737 0.00186 -0.00289 1 54 1 -0.03492 -0.31677 0.01262 0.00103 0.01127 2 54 1 -0.01136 -0.06066 0.03754 -0.00115 -0.00550 3 54 1 0.04666 0.46182 0.04585 -0.00160 -0.02342 1 55 1 -0.02268 -0.11992 -0.18821 -0.00184 -0.00236 2 55 1 0.00800 0.05931 0.23826 0.00364 0.00401 3 55 1 0.02468 0.13456 0.41601 0.00555 0.00830 1 56 8 0.00386 0.02146 0.04251 0.00052 0.00088 2 56 8 -0.00098 -0.01515 -0.02743 -0.00019 0.00025 3 56 8 0.00185 0.01148 0.00276 -0.00012 -0.00016 1 57 8 0.00066 0.00439 0.00238 -0.00003 -0.00017 2 57 8 -0.00006 -0.00879 -0.04587 -0.00069 -0.00040 3 57 8 -0.00130 -0.00999 -0.03038 -0.00034 -0.00026 1 58 1 0.00700 0.06965 0.26720 0.00318 0.00276 2 58 1 0.01735 0.17161 0.58135 0.00738 0.00496 3 58 1 -0.00089 -0.00818 -0.00500 -0.00016 0.00038 1 59 8 -0.00501 -0.01780 0.00244 -0.00003 0.00000 2 59 8 0.00073 0.00301 -0.00373 -0.00034 -0.00016 3 59 8 -0.00257 -0.01434 -0.00603 0.00013 0.00040 1 60 1 0.07414 0.32242 0.08945 0.00072 -0.00248 2 60 1 0.00009 0.00355 0.02412 0.00043 0.00041 3 60 1 -0.02944 -0.13122 -0.04263 -0.00033 0.00115 1 61 8 -0.00337 -0.02195 0.01268 0.00019 0.00100 2 61 8 -0.00419 -0.02132 0.01144 -0.00010 0.00057 3 61 8 0.00189 0.00836 -0.01760 -0.00019 -0.00048 1 62 1 -0.01812 -0.08648 0.07530 0.00051 0.00289 2 62 1 -0.03083 -0.14111 0.12757 0.00087 0.00404 3 62 1 -0.08212 -0.36829 0.34584 0.00245 0.01074 1 63 6 -0.00039 -0.00145 0.00083 0.00029 -0.00076 2 63 6 -0.00283 -0.01046 0.00076 0.00079 -0.00273 3 63 6 -0.00739 -0.04857 0.02659 0.00254 -0.00457 1 64 8 0.00280 0.01654 -0.00834 -0.00076 0.00141 2 64 8 0.00336 0.01935 -0.00500 -0.00076 0.00167 3 64 8 0.00671 0.04016 -0.01474 -0.00165 0.00329 1 65 8 0.00009 0.00127 0.00766 0.00029 -0.00027 2 65 8 -0.00058 -0.00154 0.00020 -0.00004 -0.00007 3 65 8 0.00015 0.00233 -0.00233 -0.00014 0.00013 1 66 6 -0.00236 -0.01481 0.00625 0.00068 -0.00130 2 66 6 -0.00172 -0.01050 0.00296 0.00033 -0.00057 3 66 6 -0.00384 -0.02247 0.00839 0.00086 -0.00160 1 67 1 0.00366 0.02322 0.00244 -0.00095 0.00234 2 67 1 0.00661 0.03964 -0.01472 -0.00170 0.00328 3 67 1 0.00831 0.04972 -0.02421 -0.00207 0.00361 1 68 1 0.01778 0.10232 -0.04078 -0.00441 0.00863 2 68 1 0.00613 0.03744 -0.01941 -0.00154 0.00259 3 68 1 0.00959 0.05580 -0.02334 -0.00249 0.00485 1 69 1 -0.01012 -0.05303 -0.00100 0.00053 -0.00097 2 69 1 -0.00396 -0.02398 0.01075 0.00111 -0.00205 3 69 1 0.00073 0.00346 -0.00283 -0.00034 0.00073 1 70 19 -0.00030 0.00030 -0.00004 -0.00021 0.00007 2 70 19 0.00003 -0.00002 0.00004 -0.00003 0.00029 3 70 19 0.00003 -0.00003 0.00000 0.00001 0.00001 136 137 138 139 140 A A A A A Frequencies --- 1317.7872 1326.2654 1327.7168 1334.8518 1335.8579 Reduced masses --- 1.3657 1.3814 2.2923 1.5082 1.3239 Force constants --- 1.3973 1.4317 2.3809 1.5834 1.3920 IR Intensities --- 18.9041 27.3074 243.0251 7.7828 14.7486 Coord Atom Element: 1 1 6 -0.00074 0.00230 -0.00429 -0.00051 0.00045 2 1 6 0.00126 -0.00073 0.00653 -0.00154 -0.00179 3 1 6 0.00019 0.00311 0.00005 -0.00304 -0.00165 1 2 6 0.00052 -0.00528 0.00094 0.00968 0.00427 2 2 6 0.00003 -0.00563 0.00128 0.01307 0.00668 3 2 6 0.00118 -0.00267 0.00510 -0.00075 -0.00084 1 3 6 -0.00021 0.00518 -0.00010 -0.00979 -0.00498 2 3 6 -0.00058 0.00642 -0.00355 -0.00658 -0.00279 3 3 6 -0.00037 0.00008 -0.00008 -0.00196 -0.00113 1 4 6 0.00099 -0.00726 0.00449 0.00836 0.00378 2 4 6 0.00245 0.00029 0.00539 -0.00060 -0.00075 3 4 6 0.00069 0.00011 0.00166 -0.00107 -0.00066 1 5 6 -0.00020 0.00067 -0.00002 -0.00026 -0.00010 2 5 6 -0.00123 0.00020 -0.00428 0.00110 0.00103 3 5 6 -0.00054 0.00157 -0.00299 0.00066 0.00080 1 6 1 0.00230 0.00846 0.00698 -0.00916 -0.00433 2 6 1 -0.00791 0.01730 -0.01923 -0.02039 -0.00810 3 6 1 -0.00443 0.01483 -0.00648 -0.01458 -0.00547 1 7 1 -0.00007 0.01306 -0.00557 -0.01570 -0.00713 2 7 1 -0.00605 -0.02600 -0.00148 0.03151 0.01531 3 7 1 -0.00594 0.00015 -0.01164 -0.00054 0.00057 1 8 1 0.00214 -0.00774 0.01220 0.00194 -0.00076 2 8 1 0.00007 -0.00435 0.00237 0.00217 0.00059 3 8 1 0.00286 -0.02256 0.02573 0.00882 0.00077 1 9 1 -0.00867 0.06889 -0.02815 -0.06102 -0.02157 2 9 1 -0.00417 0.02575 -0.01828 -0.02029 -0.00668 3 9 1 -0.00088 0.00612 -0.02571 -0.02557 -0.01582 1 10 8 0.00014 0.00016 0.00099 -0.00167 -0.00110 2 10 8 -0.00043 0.00193 -0.00183 -0.00038 0.00029 3 10 8 -0.00024 0.00059 -0.00125 0.00042 0.00045 1 11 8 0.00224 -0.01235 0.00413 0.00550 0.00220 2 11 8 -0.00161 0.01680 -0.00370 -0.01752 -0.00810 3 11 8 -0.00259 0.01223 -0.00453 0.01045 0.00728 1 12 8 -0.00042 -0.00082 -0.00159 0.00349 0.00201 2 12 8 0.00005 0.00017 0.00067 -0.00139 -0.00082 3 12 8 0.00051 -0.00100 0.00093 0.00061 0.00014 1 13 1 0.00096 0.01042 0.00615 -0.02392 -0.01283 2 13 1 -0.00119 -0.01153 -0.00794 0.02802 0.01510 3 13 1 -0.00127 -0.01581 -0.00922 0.03697 0.01980 1 14 8 0.00000 0.00058 -0.00016 -0.00032 -0.00015 2 14 8 -0.00037 0.00063 -0.00109 -0.00094 -0.00039 3 14 8 0.00051 -0.00164 0.00163 0.00209 0.00089 1 15 1 -0.00646 0.01904 -0.02085 -0.02240 -0.00942 2 15 1 0.00020 -0.00077 0.00140 0.00109 0.00050 3 15 1 -0.00572 0.01625 -0.01802 -0.01914 -0.00799 1 16 6 0.00024 0.00303 -0.00007 -0.00181 -0.00126 2 16 6 -0.00001 -0.00316 0.00087 0.00094 0.00061 3 16 6 0.00014 -0.00398 0.00196 0.00118 0.00066 1 17 8 0.00028 -0.00197 0.00181 -0.00010 -0.00016 2 17 8 -0.00009 0.00175 -0.00105 -0.00039 -0.00020 3 17 8 -0.00021 0.00193 -0.00149 -0.00025 -0.00007 1 18 8 -0.00020 -0.00074 -0.00060 0.00124 0.00082 2 18 8 -0.00002 -0.00017 -0.00003 0.00052 0.00031 3 18 8 -0.00007 0.00009 -0.00038 0.00016 0.00009 1 19 6 -0.00015 0.00156 -0.00111 -0.00018 -0.00008 2 19 6 0.00007 -0.00039 0.00032 0.00002 -0.00001 3 19 6 0.00008 -0.00066 0.00061 0.00006 0.00000 1 20 1 -0.00015 -0.00344 0.00056 0.00177 0.00117 2 20 1 -0.00036 0.00029 -0.00170 0.00093 0.00068 3 20 1 -0.00023 0.00333 -0.00207 -0.00065 -0.00036 1 21 1 0.00018 -0.00974 0.00380 0.00330 0.00204 2 21 1 0.00009 -0.00071 0.00060 0.00008 0.00002 3 21 1 -0.00026 0.00282 -0.00225 -0.00047 -0.00021 1 22 1 -0.00050 -0.00141 -0.00151 0.00171 0.00142 2 22 1 -0.00027 -0.00027 -0.00084 0.00100 0.00075 3 22 1 0.00004 -0.00148 0.00068 0.00039 0.00029 1 23 6 0.00459 -0.02900 0.00511 0.01108 0.00233 2 23 6 -0.00812 0.10175 -0.02718 -0.06908 -0.02975 3 23 6 0.00623 -0.06992 0.01229 0.08683 0.04228 1 24 6 0.01010 0.00768 -0.00478 0.00465 0.00004 2 24 6 0.01595 -0.01096 -0.00662 -0.00492 0.01226 3 24 6 -0.01053 0.00998 -0.00268 -0.00128 -0.00358 1 25 6 0.01008 -0.02071 0.01158 -0.02901 -0.01272 2 25 6 0.00098 0.00671 0.00242 -0.01375 -0.01016 3 25 6 0.01415 -0.01547 0.00564 -0.01579 -0.00646 1 26 6 -0.00134 0.00761 -0.00553 0.02833 0.01671 2 26 6 0.00360 -0.04098 0.01092 -0.02277 -0.01494 3 26 6 -0.00512 0.02214 -0.00721 0.06648 0.03931 1 27 6 -0.00024 0.00119 0.00334 -0.02810 -0.01878 2 27 6 -0.00295 -0.00190 -0.00147 0.07736 0.04241 3 27 6 0.01369 -0.06790 0.01969 -0.08726 -0.05293 1 28 1 -0.04566 0.09998 -0.03293 0.14607 0.09965 2 28 1 0.05148 -0.48819 0.08888 0.41745 0.21035 3 28 1 -0.08997 0.52231 -0.11656 -0.16224 -0.04979 1 29 1 -0.05292 -0.02176 -0.01061 -0.09513 -0.08537 2 29 1 0.04694 -0.02503 0.01714 0.06335 0.02655 3 29 1 0.06107 -0.02685 0.02190 0.04378 0.04195 1 30 1 -0.03885 0.01600 -0.00723 0.05862 0.03615 2 30 1 0.03557 -0.08855 0.03050 -0.16191 -0.09375 3 30 1 0.05167 -0.09492 0.04578 -0.31203 -0.17057 1 31 1 -0.03933 0.28299 -0.08409 -0.04579 0.01965 2 31 1 0.06243 -0.33605 0.09756 -0.25148 -0.16184 3 31 1 -0.07895 0.39416 -0.11765 0.40639 0.24809 1 32 1 -0.12302 -0.00107 -0.05388 0.05489 -0.03606 2 32 1 -0.13977 0.08347 -0.03267 0.01524 -0.03641 3 32 1 0.09735 -0.04770 0.01828 -0.01936 0.02907 1 33 8 -0.00101 0.00933 -0.00009 -0.00332 0.00171 2 33 8 -0.00115 -0.01708 0.00803 0.00379 -0.00364 3 33 8 0.00190 0.00205 0.00301 -0.02018 -0.01013 1 34 8 -0.01110 -0.00452 0.00584 -0.00063 -0.00243 2 34 8 0.01313 0.00839 -0.00164 -0.00333 0.00700 3 34 8 -0.00805 0.00268 0.01356 0.01055 -0.01082 1 35 8 -0.00386 0.00720 -0.00273 0.01344 0.00689 2 35 8 -0.00309 0.00668 -0.00163 0.00938 0.00535 3 35 8 -0.00976 0.01103 -0.00509 0.00556 0.00212 1 36 1 0.00293 -0.00702 0.00243 -0.00754 -0.00460 2 36 1 0.02652 -0.08263 0.02065 -0.12284 -0.06672 3 36 1 0.03731 -0.10124 0.03925 -0.15405 -0.08461 1 37 8 0.00103 -0.00013 0.00053 -0.00476 -0.00326 2 37 8 -0.00394 0.01641 -0.00530 0.01312 0.00702 3 37 8 0.00000 0.00230 -0.00090 -0.00934 -0.00584 1 38 1 -0.00017 -0.00432 0.00250 0.00523 0.00364 2 38 1 -0.00870 -0.04033 0.01087 0.06417 0.04306 3 38 1 -0.00804 -0.02897 0.00930 0.04907 0.03352 1 39 6 0.00678 -0.02067 0.00189 -0.00275 -0.00177 2 39 6 -0.00393 -0.03321 0.01447 0.03659 0.01449 3 39 6 -0.00140 0.01369 -0.00248 -0.00845 -0.00374 1 40 8 -0.00074 -0.00117 0.00158 0.00376 0.00149 2 40 8 0.00253 0.00282 -0.00371 -0.00875 -0.00345 3 40 8 0.00158 -0.00638 0.00119 0.00324 0.00138 1 41 8 -0.00238 0.01234 -0.00217 -0.00568 -0.00243 2 41 8 -0.00043 0.00921 -0.00309 -0.00701 -0.00275 3 41 8 -0.00357 0.02023 -0.00427 -0.01101 -0.00471 1 42 6 0.00020 0.00292 -0.00158 -0.00339 -0.00141 2 42 6 -0.00131 0.00450 0.00042 -0.00087 -0.00057 3 42 6 -0.00017 0.00508 -0.00179 -0.00517 -0.00221 1 43 1 -0.00175 -0.01020 0.00388 0.01217 0.00542 2 43 1 0.00617 -0.00956 -0.00197 -0.00363 -0.00092 3 43 1 0.00004 -0.00561 0.00111 0.00402 0.00200 1 44 1 -0.00264 0.00843 -0.00052 -0.00211 -0.00110 2 44 1 0.00523 -0.00690 -0.00264 -0.00632 -0.00264 3 44 1 -0.00046 -0.00325 0.00062 0.00507 0.00275 1 45 1 0.00100 -0.02653 0.00682 0.02267 0.00997 2 45 1 -0.00042 0.01946 -0.00456 -0.01791 -0.00781 3 45 1 -0.00098 -0.02038 0.00629 0.02211 0.00944 1 46 6 -0.02474 0.00459 0.02589 0.04851 -0.08234 2 46 6 0.00185 0.00456 0.02780 0.00565 -0.00584 3 46 6 0.00866 0.00766 0.04191 0.02032 -0.03160 1 47 6 0.00992 -0.00253 -0.01046 -0.01759 0.02838 2 47 6 -0.00454 0.00011 0.00548 -0.00082 0.00088 3 47 6 0.00318 -0.00236 -0.01053 -0.00565 0.00748 1 48 6 -0.02120 0.00283 0.02991 0.00371 -0.00310 2 48 6 0.03678 0.00366 -0.01386 0.00517 -0.00599 3 48 6 -0.02114 -0.00189 0.01112 -0.00483 0.00620 1 49 6 -0.08541 -0.01177 0.02518 -0.02005 0.02204 2 49 6 0.09741 0.02537 -0.00209 0.03353 -0.03689 3 49 6 0.01448 0.01349 0.04517 0.00432 0.00084 1 50 6 0.05241 0.01254 0.01177 -0.01714 0.03313 2 50 6 -0.02628 -0.01846 -0.04425 -0.01614 0.01303 3 50 6 0.01591 -0.02150 -0.12652 -0.01159 0.00906 1 51 1 0.22474 -0.01378 -0.07812 -0.32023 0.54095 2 51 1 -0.23017 -0.03255 -0.15960 0.13155 -0.22870 3 51 1 -0.07559 -0.07689 -0.40432 -0.21357 0.34668 1 52 1 0.42731 0.03962 -0.22642 0.04908 -0.04815 2 52 1 -0.14811 -0.01098 0.08301 0.00232 -0.01460 3 52 1 -0.05941 -0.00668 -0.01345 0.04427 -0.08343 1 53 1 0.56431 0.10612 -0.11837 0.15281 -0.16834 2 53 1 -0.25794 -0.04686 0.06095 -0.07881 0.07976 3 53 1 -0.06891 -0.01836 0.03245 -0.05829 0.05475 1 54 1 -0.06221 -0.00669 0.01355 0.13930 -0.20935 2 54 1 -0.30783 0.01318 0.38432 0.10013 -0.13787 3 54 1 -0.16614 0.04891 0.41445 -0.10153 0.18583 1 55 1 -0.01105 0.00339 0.09039 -0.10766 0.19049 2 55 1 0.03244 0.01653 0.03787 0.06321 -0.09180 3 55 1 0.06159 0.00876 -0.07328 0.14442 -0.23944 1 56 8 0.00373 -0.00188 -0.01741 0.00477 -0.00838 2 56 8 0.01015 -0.00123 -0.00113 -0.02562 0.04262 3 56 8 -0.01019 -0.00014 -0.00208 0.01417 -0.02392 1 57 8 -0.00336 -0.00001 0.00052 0.00330 -0.00568 2 57 8 -0.00571 -0.00165 -0.00393 -0.00361 0.00491 3 57 8 -0.00027 0.00017 0.00386 -0.00666 0.01189 1 58 1 0.00580 0.00095 -0.01136 0.04183 -0.07248 2 58 1 0.03474 0.00831 -0.02413 0.10154 -0.17072 3 58 1 -0.00531 -0.00144 0.00232 -0.00568 0.00887 1 59 8 -0.00341 -0.00235 -0.00631 -0.00279 0.00274 2 59 8 -0.01811 -0.00247 0.00489 -0.00218 0.00175 3 59 8 0.01132 0.00085 -0.00557 0.00043 0.00059 1 60 1 -0.00871 0.02549 0.09918 0.04095 -0.05618 2 60 1 0.00719 -0.00018 -0.00630 0.00516 -0.00828 3 60 1 0.00606 -0.00941 -0.03902 -0.01650 0.02349 1 61 8 0.00088 -0.00356 -0.01185 -0.00044 0.00021 2 61 8 -0.01666 -0.00525 -0.00283 -0.00414 0.00466 3 61 8 0.00630 0.00293 0.00180 0.00479 -0.00472 1 62 1 -0.03494 -0.01270 -0.01424 -0.01798 0.01681 2 62 1 -0.06315 -0.03155 -0.03901 -0.02579 0.02294 3 62 1 -0.16064 -0.07266 -0.07977 -0.07473 0.06598 1 63 6 -0.00158 0.00186 0.01141 0.00082 -0.00043 2 63 6 0.01128 0.01572 0.08924 -0.00095 0.00645 3 63 6 0.05004 0.03424 0.18997 -0.01138 0.02886 1 64 8 -0.01646 -0.01078 -0.06092 0.00440 -0.01046 2 64 8 -0.01484 -0.01156 -0.06518 0.00182 -0.00634 3 64 8 -0.03278 -0.02357 -0.13296 0.00439 -0.01403 1 65 8 0.00959 0.00383 0.02211 -0.00704 0.01338 2 65 8 0.00067 -0.00093 -0.00500 0.00037 -0.00132 3 65 8 -0.00185 -0.00174 -0.00837 0.00076 -0.00163 1 66 6 0.01444 0.01030 0.05789 -0.00262 0.00746 2 66 6 0.00703 0.00449 0.02531 -0.00072 0.00248 3 66 6 0.01609 0.01111 0.06210 -0.00254 0.00732 1 67 1 -0.02267 -0.01604 -0.08937 0.00619 -0.01523 2 67 1 -0.03386 -0.02378 -0.13339 0.00843 -0.02135 3 67 1 -0.03985 -0.02714 -0.15290 0.01064 -0.02632 1 68 1 -0.07623 -0.05585 -0.30929 0.00842 -0.02931 2 68 1 -0.02882 -0.02022 -0.11390 0.00256 -0.01044 3 68 1 -0.04371 -0.03240 -0.17985 0.00426 -0.01618 1 69 1 0.01326 0.00037 0.00290 -0.00324 0.00294 2 69 1 0.02189 0.01536 0.08646 -0.00895 0.02004 3 69 1 -0.00653 -0.00444 -0.02532 0.00885 -0.01669 1 70 19 -0.00018 -0.00011 -0.00075 -0.00022 -0.00018 2 70 19 -0.00008 0.00012 -0.00007 -0.00001 -0.00005 3 70 19 0.00007 0.00012 0.00007 0.00002 0.00002 141 142 143 144 145 A A A A A Frequencies --- 1353.2365 1360.0547 1370.4387 1381.2370 1385.2512 Reduced masses --- 1.7179 1.2235 1.3229 2.0834 1.2891 Force constants --- 1.8535 1.3334 1.4638 2.3418 1.4574 IR Intensities --- 132.5859 13.7923 30.9212 74.0010 18.5185 Coord Atom Element: 1 1 6 0.00127 -0.00282 -0.00796 -0.06927 0.01405 2 1 6 -0.03311 0.00837 0.01604 0.15541 -0.03130 3 1 6 -0.03457 0.00428 0.00502 0.05483 -0.01044 1 2 6 -0.04783 -0.03503 0.00076 -0.03571 0.00529 2 2 6 -0.00493 -0.00137 0.00052 -0.00775 -0.00005 3 2 6 -0.08197 -0.02512 -0.00406 -0.06241 0.00799 1 3 6 0.01648 0.01238 0.00045 0.03008 -0.00425 2 3 6 -0.01361 0.00670 0.00054 -0.00812 0.00088 3 3 6 -0.00941 -0.00785 0.00042 -0.00858 -0.00056 1 4 6 -0.01925 -0.01946 0.00026 -0.03236 0.00158 2 4 6 -0.05119 -0.00113 0.00490 0.05549 -0.01038 3 4 6 0.02027 0.00749 0.00012 0.00751 0.00131 1 5 6 -0.01878 0.00160 0.00145 0.01484 -0.00278 2 5 6 0.02340 -0.00283 -0.00624 -0.06093 0.01189 3 5 6 -0.04077 -0.00445 -0.00413 -0.04459 0.00893 1 6 1 -0.13511 -0.03372 -0.00127 -0.08248 -0.00068 2 6 1 0.41536 0.15882 -0.00673 0.19867 -0.00241 3 6 1 0.21714 0.08062 -0.00984 0.04434 0.00222 1 7 1 0.05043 0.07651 0.02208 0.32788 -0.05401 2 7 1 0.04891 -0.08556 -0.01326 -0.24654 0.02417 3 7 1 0.14995 0.03358 0.00618 0.10932 -0.02194 1 8 1 0.02118 0.00293 0.01650 0.14195 -0.03005 2 8 1 0.04647 -0.00255 0.00194 0.00877 -0.00318 3 8 1 0.18186 0.00979 0.03213 0.27324 -0.05952 1 9 1 0.00155 0.31253 -0.02185 0.09663 0.01506 2 9 1 0.20695 0.15789 0.00183 0.16513 -0.01227 3 9 1 0.66911 0.05456 0.04163 0.42778 -0.06064 1 10 8 0.02531 0.00578 0.00365 0.04124 -0.00812 2 10 8 -0.03537 -0.00290 -0.00613 -0.06188 0.01264 3 10 8 0.01289 0.00735 -0.00102 -0.00192 0.00212 1 11 8 0.01102 -0.00742 -0.00117 0.00545 0.00183 2 11 8 0.00499 0.00454 -0.00255 -0.00758 0.00040 3 11 8 0.00103 0.02556 -0.00231 0.00414 -0.00271 1 12 8 0.01748 0.00648 0.00009 0.00702 0.00023 2 12 8 0.00361 -0.00107 -0.00049 -0.00158 0.00007 3 12 8 -0.00919 -0.00398 0.00059 0.00086 -0.00069 1 13 1 -0.03393 -0.01041 -0.00170 -0.01295 -0.00270 2 13 1 0.03921 0.01582 0.00283 0.02969 0.00104 3 13 1 0.05358 0.01718 0.00316 0.02784 0.00267 1 14 8 -0.00359 -0.00188 -0.00093 -0.00890 0.00163 2 14 8 0.01018 0.00166 -0.00117 -0.01037 0.00270 3 14 8 -0.00859 -0.00376 0.00164 0.01288 -0.00403 1 15 1 0.11319 0.04349 -0.01539 -0.10183 0.03518 2 15 1 -0.01274 -0.00584 -0.00007 -0.00480 -0.00114 3 15 1 0.09812 0.03877 -0.01245 -0.07814 0.02809 1 16 6 -0.05824 0.01069 0.00750 0.06022 -0.00894 2 16 6 0.10169 -0.01148 -0.01194 -0.11126 0.02022 3 16 6 0.10854 -0.01146 -0.01083 -0.09843 0.01725 1 17 8 0.06794 -0.00579 -0.00572 -0.05154 0.00916 2 17 8 -0.04755 0.00504 0.00443 0.03902 -0.00667 3 17 8 -0.05427 0.00503 0.00446 0.03944 -0.00676 1 18 8 -0.00850 -0.00193 -0.00017 0.00231 -0.00135 2 18 8 -0.01089 0.00003 0.00105 0.01192 -0.00251 3 18 8 -0.00814 0.00072 0.00071 0.00598 -0.00105 1 19 6 -0.05234 0.00559 0.00536 0.04938 -0.00867 2 19 6 0.00688 -0.00025 -0.00027 -0.00150 0.00030 3 19 6 0.01926 -0.00191 -0.00168 -0.01505 0.00258 1 20 1 0.08996 -0.01343 -0.01228 -0.11408 0.01964 2 20 1 -0.02055 0.00046 0.00009 -0.00046 0.00006 3 20 1 -0.10144 0.01198 0.01108 0.10229 -0.01782 1 21 1 0.23637 -0.02886 -0.02536 -0.22457 0.03800 2 21 1 0.01745 -0.00178 -0.00137 -0.01164 0.00188 3 21 1 -0.08802 0.01162 0.00914 0.08524 -0.01396 1 22 1 0.05852 -0.01527 -0.01313 -0.12658 0.02133 2 22 1 0.01187 -0.00659 -0.00426 -0.04340 0.00640 3 22 1 0.05079 -0.00690 -0.00651 -0.06047 0.01058 1 23 6 0.00085 0.01548 0.01115 -0.02628 -0.07965 2 23 6 0.00694 -0.05394 -0.01646 0.00093 -0.02286 3 23 6 0.00067 0.01535 0.00656 -0.01374 -0.04640 1 24 6 0.00225 0.00106 -0.03333 0.00033 0.00156 2 24 6 0.00007 -0.00075 -0.09642 0.00428 -0.03156 3 24 6 0.00237 -0.00553 0.03684 -0.00769 0.00721 1 25 6 -0.00780 0.00489 -0.04626 0.01470 0.03023 2 25 6 -0.00370 -0.00623 -0.01312 0.02999 0.06223 3 25 6 -0.00435 0.02559 -0.01707 -0.00097 -0.00511 1 26 6 0.00823 -0.03576 -0.02107 -0.01647 0.00721 2 26 6 0.00293 -0.01857 0.02042 0.00685 -0.01951 3 26 6 0.01221 -0.05525 -0.01310 0.03518 -0.00419 1 27 6 0.00841 -0.06719 0.02245 0.01755 -0.01669 2 27 6 -0.00165 0.02650 -0.00366 -0.00876 0.00109 3 27 6 0.00101 -0.01420 0.00777 0.01669 0.04123 1 28 1 -0.02085 -0.01367 -0.13318 0.19763 0.64063 2 28 1 -0.02267 0.15049 -0.06776 0.10972 0.41426 3 28 1 0.00245 -0.17325 -0.09608 0.11954 0.31365 1 29 1 -0.01319 0.15572 0.25124 -0.07062 -0.07314 2 29 1 0.04331 0.00342 0.11525 -0.19456 -0.23287 3 29 1 0.01425 -0.04113 -0.11958 -0.03802 -0.06013 1 30 1 -0.03981 0.17697 0.15824 -0.04089 -0.20367 2 30 1 -0.01291 0.02530 -0.03737 -0.07797 0.06330 3 30 1 -0.08337 0.30535 -0.01144 -0.24327 0.02424 1 31 1 -0.13021 0.73773 -0.12406 -0.20735 0.08042 2 31 1 0.01411 -0.06201 0.04529 0.07235 0.10540 3 31 1 -0.00657 0.03945 -0.04821 -0.08075 -0.12478 1 32 1 0.00501 0.04110 0.38960 -0.06166 0.10144 2 32 1 0.00480 -0.02722 0.43201 -0.04338 0.02244 3 32 1 -0.00083 0.00859 -0.32486 0.02696 -0.03307 1 33 8 -0.00105 -0.00301 0.00193 0.00621 0.01253 2 33 8 -0.00063 0.00874 0.02548 -0.00797 -0.01518 3 33 8 -0.00009 0.00113 0.00919 -0.00582 -0.02449 1 34 8 -0.00008 -0.00213 -0.00336 -0.00135 -0.00479 2 34 8 0.00037 0.00015 0.02163 -0.00199 0.00053 3 34 8 0.00031 0.00330 0.02122 -0.00207 0.01071 1 35 8 0.00256 -0.00518 0.01388 0.00224 -0.00679 2 35 8 0.00180 -0.00208 0.00759 -0.00354 -0.01012 3 35 8 0.00027 -0.00253 0.01373 0.00373 0.00155 1 36 1 -0.00146 0.00223 -0.00530 0.00143 0.00349 2 36 1 -0.02518 0.04407 -0.11754 -0.00070 0.06528 3 36 1 -0.03028 0.05728 -0.13552 -0.00465 0.07365 1 37 8 -0.00041 0.00908 0.00626 0.00808 0.00210 2 37 8 0.00206 0.00665 0.00597 0.00740 0.00160 3 37 8 -0.00113 0.01075 0.00464 -0.00327 0.00288 1 38 1 0.00135 -0.01402 -0.00587 0.00105 -0.00577 2 38 1 -0.00762 -0.14679 -0.06568 -0.02513 -0.05404 3 38 1 0.02012 -0.13563 -0.05483 -0.01188 -0.05133 1 39 6 0.00146 -0.00067 0.00003 0.00013 0.00564 2 39 6 -0.00418 0.01732 0.01082 -0.00140 -0.01231 3 39 6 0.00038 -0.00157 -0.00113 -0.00028 -0.00254 1 40 8 -0.00045 0.00084 0.00053 -0.00034 -0.00323 2 40 8 0.00113 -0.00215 -0.00167 -0.00024 0.00409 3 40 8 0.00041 0.00055 0.00014 -0.00098 -0.00223 1 41 8 -0.00029 -0.00265 -0.00099 0.00193 0.00459 2 41 8 0.00057 -0.00392 -0.00208 0.00096 0.00383 3 41 8 -0.00019 -0.00634 -0.00228 0.00440 0.01477 1 42 6 0.00014 -0.00107 -0.00086 0.00080 0.00184 2 42 6 0.00016 -0.00044 0.00022 -0.00014 -0.00042 3 42 6 0.00000 -0.00159 -0.00093 0.00134 0.00387 1 43 1 0.00056 0.00679 0.00461 -0.00525 -0.00886 2 43 1 0.00131 -0.00395 -0.00344 0.00036 0.00323 3 43 1 0.00023 0.00258 0.00169 -0.00182 -0.00182 1 44 1 -0.00041 0.00062 0.00080 0.00082 0.00066 2 44 1 0.00089 -0.00590 -0.00464 0.00108 0.00569 3 44 1 0.00121 0.00349 0.00217 -0.00365 -0.00748 1 45 1 -0.00162 0.01022 0.00568 -0.00418 -0.01097 2 45 1 0.00138 -0.00811 -0.00414 0.00350 0.01239 3 45 1 -0.00172 0.01053 0.00592 -0.00480 -0.01652 1 46 6 -0.00033 0.00114 -0.03438 0.00237 -0.01476 2 46 6 0.00088 0.00047 0.01245 -0.00155 0.01451 3 46 6 0.00109 0.00154 -0.02140 0.00084 -0.00055 1 47 6 0.00003 -0.00058 -0.00569 0.00214 -0.00254 2 47 6 -0.00042 -0.00062 -0.01272 0.00326 -0.00291 3 47 6 -0.00037 -0.00084 -0.00212 0.00108 0.00552 1 48 6 0.00057 0.00121 0.00106 -0.00117 -0.01010 2 48 6 0.00005 -0.00026 0.00854 -0.00121 0.00630 3 48 6 -0.00030 0.00027 0.00384 -0.00040 0.00746 1 49 6 -0.00055 -0.00082 -0.00948 0.00078 0.00659 2 49 6 0.00100 0.00111 0.04189 -0.00266 0.01844 3 49 6 0.00090 0.00096 0.00288 0.00016 -0.00479 1 50 6 0.00052 -0.00009 -0.01310 0.00314 -0.01891 2 50 6 -0.00159 -0.00051 -0.05780 0.00569 -0.03065 3 50 6 -0.00202 -0.00217 -0.00686 0.00067 -0.00426 1 51 1 0.00436 -0.00556 0.19126 -0.01548 0.08723 2 51 1 -0.00657 -0.00190 0.01201 0.00005 -0.01099 3 51 1 -0.00580 -0.01065 0.25222 -0.01819 0.08057 1 52 1 -0.00087 -0.00465 0.08542 0.00014 0.10306 2 52 1 0.00099 0.00260 -0.02548 -0.00260 -0.04486 3 52 1 0.00071 0.00186 -0.00408 -0.00331 -0.01647 1 53 1 0.00430 0.00322 0.16951 -0.01543 0.03405 2 53 1 -0.00259 -0.00425 -0.07149 0.00586 -0.00588 3 53 1 -0.00174 -0.00667 -0.05449 0.00124 -0.03030 1 54 1 0.00254 0.00624 0.21392 -0.02553 0.16100 2 54 1 0.00681 0.00893 0.26486 -0.03299 0.19893 3 54 1 0.00559 0.00030 0.06452 -0.00527 0.01879 1 55 1 0.00463 0.00179 0.12288 -0.02444 0.05151 2 55 1 0.00312 0.00345 0.06769 -0.01893 0.01226 3 55 1 -0.00095 0.00118 -0.03795 0.00284 -0.02922 1 56 8 -0.00040 -0.00029 0.00116 0.00023 0.00058 2 56 8 0.00040 -0.00009 0.01050 -0.00137 0.00305 3 56 8 -0.00032 0.00017 -0.00764 0.00079 -0.00587 1 57 8 -0.00006 0.00010 0.00075 -0.00045 0.00050 2 57 8 -0.00011 0.00019 -0.00288 0.00016 -0.00383 3 57 8 0.00023 0.00021 0.00434 -0.00088 -0.00056 1 58 1 -0.00071 -0.00116 -0.01202 0.00263 0.01296 2 58 1 -0.00174 -0.00245 -0.02014 0.00566 0.03135 3 58 1 0.00025 0.00008 0.00068 -0.00037 -0.00085 1 59 8 -0.00022 -0.00027 -0.00505 0.00055 -0.00345 2 59 8 0.00002 0.00010 -0.00391 0.00008 -0.00392 3 59 8 0.00008 -0.00011 -0.00010 0.00019 -0.00120 1 60 1 0.00175 0.00350 0.05044 -0.00655 0.03805 2 60 1 -0.00025 0.00002 -0.00115 0.00053 0.00098 3 60 1 -0.00052 -0.00138 -0.01944 0.00247 -0.01615 1 61 8 -0.00022 0.00016 -0.00475 0.00061 -0.00180 2 61 8 -0.00009 0.00013 -0.00665 0.00044 -0.00274 3 61 8 0.00011 0.00012 0.00965 -0.00062 0.00577 1 62 1 0.00042 -0.00174 -0.02769 -0.00025 -0.02227 2 62 1 -0.00193 -0.00040 -0.05644 0.00548 -0.01697 3 62 1 -0.00275 -0.00366 -0.14152 0.00886 -0.06433 1 63 6 -0.00048 -0.00046 0.00508 0.00007 -0.00052 2 63 6 0.00116 0.00073 -0.00075 0.00033 -0.00544 3 63 6 0.00293 0.00157 -0.00292 0.00035 -0.00765 1 64 8 -0.00109 -0.00068 0.00123 0.00004 0.00103 2 64 8 -0.00105 -0.00066 0.00171 -0.00005 0.00193 3 64 8 -0.00214 -0.00134 0.00407 -0.00011 0.00346 1 65 8 0.00069 0.00049 0.00022 -0.00008 0.00106 2 65 8 -0.00013 -0.00017 -0.00103 0.00010 0.00039 3 65 8 -0.00008 0.00009 -0.00177 0.00007 0.00025 1 66 6 0.00101 0.00062 -0.00210 0.00018 -0.00260 2 66 6 0.00045 0.00030 -0.00090 -0.00002 -0.00047 3 66 6 0.00099 0.00055 -0.00072 -0.00005 -0.00116 1 67 1 -0.00111 -0.00057 0.00655 -0.00144 0.01078 2 67 1 -0.00217 -0.00106 -0.00072 -0.00006 0.00432 3 67 1 -0.00267 -0.00125 -0.00697 0.00090 -0.00052 1 68 1 -0.00397 -0.00232 0.00805 -0.00111 0.01375 2 68 1 -0.00207 -0.00129 -0.00141 0.00067 0.00045 3 68 1 -0.00241 -0.00149 0.00542 -0.00069 0.00865 1 69 1 -0.00004 0.00027 -0.00553 -0.00060 0.00789 2 69 1 0.00145 0.00051 0.00496 -0.00026 -0.00077 3 69 1 -0.00037 0.00021 -0.00796 0.00035 -0.00156 1 70 19 0.00053 -0.00009 0.00002 -0.00055 -0.00017 2 70 19 0.00013 0.00025 0.00003 -0.00008 0.00026 3 70 19 -0.00016 -0.00020 -0.00013 0.00028 0.00017 146 147 148 149 150 A A A A A Frequencies --- 1388.8293 1395.2404 1400.0241 1406.2771 1412.1465 Reduced masses --- 1.2920 1.3562 1.3865 1.3330 1.3388 Force constants --- 1.4682 1.5555 1.6012 1.5532 1.5730 IR Intensities --- 39.2713 13.9348 4.2637 43.7716 5.9350 Coord Atom Element: 1 1 6 0.00081 -0.00395 0.00860 -0.00220 -0.01548 2 1 6 -0.00144 0.00906 -0.00817 0.00306 0.02789 3 1 6 -0.00028 0.00319 0.00270 -0.00004 0.00462 1 2 6 -0.00060 0.00163 -0.03713 0.00402 0.01721 2 2 6 -0.00035 0.00052 -0.00637 0.00028 -0.00193 3 2 6 0.00038 -0.00387 0.01110 -0.00200 -0.01654 1 3 6 0.00043 0.00059 0.02846 -0.00521 -0.02785 2 3 6 0.00021 -0.00136 -0.01046 0.00311 0.01877 3 3 6 -0.00008 -0.00054 -0.00108 0.00042 -0.00146 1 4 6 -0.00056 -0.00103 -0.02105 0.00424 0.01967 2 4 6 -0.00024 0.00332 0.00951 -0.00175 -0.00489 3 4 6 0.00010 -0.00067 0.00489 -0.00143 -0.01429 1 5 6 0.00009 0.00067 0.00293 -0.00039 0.00013 2 5 6 0.00046 -0.00328 -0.00053 -0.00038 -0.00547 3 5 6 0.00082 -0.00291 0.00667 -0.00164 -0.00982 1 6 1 -0.00092 -0.00432 -0.03754 0.01201 0.07386 2 6 1 0.00278 0.00620 0.12557 -0.02713 -0.13259 3 6 1 0.00078 0.00025 0.05251 -0.00837 -0.02851 1 7 1 -0.00043 0.02094 0.03033 -0.00284 0.05272 2 7 1 -0.00211 -0.00784 -0.08156 0.01611 0.07224 3 7 1 -0.00097 0.01016 -0.01095 0.00417 0.06236 1 8 1 -0.00195 0.00841 -0.01981 0.00502 0.03359 2 8 1 -0.00070 0.00109 -0.01289 0.00254 0.01265 3 8 1 -0.00504 0.01686 -0.06500 0.01552 0.09363 1 9 1 0.01079 -0.02080 0.25517 -0.03463 -0.13822 2 9 1 0.00237 0.00076 0.06205 -0.00717 -0.01477 3 9 1 -0.00692 0.03235 -0.17614 0.02912 0.17518 1 10 8 -0.00057 0.00255 -0.00391 0.00125 0.00942 2 10 8 0.00099 -0.00424 0.01107 -0.00258 -0.01731 3 10 8 0.00021 -0.00047 0.00142 -0.00039 -0.00206 1 11 8 -0.00002 -0.00082 0.00313 -0.00006 -0.00408 2 11 8 0.00006 0.00049 0.00229 -0.00034 0.00030 3 11 8 -0.00030 0.00223 -0.00107 -0.00043 0.00099 1 12 8 -0.00005 0.00048 -0.00464 0.00079 0.00574 2 12 8 0.00003 -0.00006 0.00464 -0.00096 -0.00556 3 12 8 -0.00009 0.00026 -0.00229 0.00038 0.00252 1 13 1 0.00034 -0.00173 0.03380 -0.00558 -0.03538 2 13 1 -0.00043 0.00306 -0.04172 0.00699 0.04704 3 13 1 -0.00066 0.00330 -0.05389 0.00903 0.05830 1 14 8 0.00002 -0.00053 0.00103 -0.00030 -0.00350 2 14 8 0.00015 -0.00092 0.00120 -0.00039 -0.00447 3 14 8 -0.00033 0.00148 -0.00440 0.00116 0.01070 1 15 1 0.00296 -0.01167 0.04089 -0.01065 -0.08956 2 15 1 -0.00022 0.00017 -0.00180 0.00063 0.00362 3 15 1 0.00248 -0.00930 0.03471 -0.00887 -0.07289 1 16 6 -0.00002 0.00205 -0.00048 0.00012 0.00241 2 16 6 -0.00002 -0.00554 -0.00502 0.00023 -0.00983 3 16 6 -0.00021 -0.00465 -0.00587 0.00062 -0.00650 1 17 8 -0.00022 -0.00241 -0.00440 0.00054 -0.00286 2 17 8 0.00013 0.00173 0.00261 -0.00033 0.00203 3 17 8 0.00019 0.00174 0.00351 -0.00048 0.00161 1 18 8 0.00010 0.00051 0.00226 -0.00023 0.00154 2 18 8 0.00005 0.00066 0.00161 -0.00009 0.00182 3 18 8 0.00006 0.00032 0.00050 -0.00012 0.00026 1 19 6 0.00011 0.00237 0.00253 -0.00024 0.00381 2 19 6 -0.00002 -0.00005 -0.00031 0.00003 0.00000 3 19 6 -0.00008 -0.00070 -0.00117 0.00018 -0.00078 1 20 1 0.00007 -0.00547 -0.00128 -0.00027 -0.01124 2 20 1 0.00033 -0.00003 0.00330 -0.00070 -0.00142 3 20 1 0.00023 0.00495 0.00442 -0.00038 0.00895 1 21 1 -0.00016 -0.00999 -0.00709 0.00039 -0.01566 2 21 1 -0.00009 -0.00048 -0.00118 0.00021 -0.00024 3 21 1 0.00045 0.00386 0.00609 -0.00104 0.00412 1 22 1 0.00010 -0.00615 0.00085 -0.00056 -0.01447 2 22 1 -0.00009 -0.00187 -0.00075 0.00024 -0.00219 3 22 1 -0.00006 -0.00297 -0.00143 0.00000 -0.00624 1 23 6 -0.00750 0.03496 0.00316 -0.01352 -0.04557 2 23 6 -0.00050 0.02147 0.01226 -0.00796 0.00754 3 23 6 -0.00556 0.02395 -0.02559 -0.00539 -0.01778 1 24 6 -0.00058 0.02296 0.02802 -0.00723 0.02256 2 24 6 -0.00077 0.05313 0.04419 -0.01449 0.03767 3 24 6 0.00194 -0.02953 0.01371 0.00955 0.01547 1 25 6 -0.00116 0.03228 -0.04726 -0.00799 0.01101 2 25 6 0.00124 0.02046 -0.08970 -0.01514 -0.09582 3 25 6 -0.00046 0.01222 -0.01420 -0.00331 -0.01079 1 26 6 0.00260 0.00603 0.05362 -0.01065 -0.01515 2 26 6 0.00091 -0.01723 0.04129 0.00395 -0.00152 3 26 6 0.00176 0.00399 0.04748 -0.01194 -0.06153 1 27 6 -0.00235 -0.00001 -0.03952 0.00820 0.03450 2 27 6 -0.00288 0.00675 -0.05539 0.00745 0.03784 3 27 6 0.00644 -0.02694 0.04574 0.00082 -0.01214 1 28 1 0.06607 -0.24149 0.08340 0.06330 0.22863 2 28 1 0.04033 -0.15874 -0.01399 0.04463 0.10878 3 28 1 0.03399 -0.10355 0.07067 0.02865 0.17211 1 29 1 -0.00019 -0.14135 0.02490 0.05814 0.05412 2 29 1 0.00271 -0.15439 0.52432 0.08024 0.52589 3 29 1 -0.00065 0.03749 0.16725 -0.00232 0.18746 1 30 1 -0.01565 -0.08574 -0.04939 0.08327 0.24525 2 30 1 -0.00060 0.02709 -0.09099 0.00137 0.08517 3 30 1 -0.02162 0.04599 -0.44259 0.07451 0.45950 1 31 1 0.00947 -0.00931 0.21793 -0.03529 -0.13549 2 31 1 0.01817 -0.09028 0.15451 0.00326 -0.06467 3 31 1 -0.02627 0.11763 -0.29807 0.01286 0.16210 1 32 1 0.02292 -0.16178 0.14056 -0.00722 0.06529 2 32 1 -0.00739 -0.27145 -0.13132 0.11462 -0.04266 3 32 1 0.00438 0.18415 0.11767 -0.06959 0.06426 1 33 8 0.00084 -0.01637 -0.01120 0.00876 0.00283 2 33 8 -0.00305 -0.00147 -0.01778 0.00119 -0.01816 3 33 8 -0.00324 -0.00178 -0.01474 0.00508 -0.01200 1 34 8 -0.00183 0.01388 -0.00154 -0.00656 -0.00193 2 34 8 0.00558 -0.03138 -0.00775 0.01035 -0.00822 3 34 8 -0.00292 0.00515 0.00586 -0.00681 0.00462 1 35 8 0.00028 -0.00895 0.00548 0.00128 -0.01760 2 35 8 -0.00022 -0.00705 0.01370 0.00290 0.00631 3 35 8 0.00003 -0.00618 -0.00891 0.00095 -0.01569 1 36 1 -0.00022 0.00471 -0.00514 -0.00116 0.00024 2 36 1 0.00136 0.09159 -0.07167 -0.02438 0.10129 3 36 1 -0.00354 0.09688 -0.08389 -0.01780 0.12067 1 37 8 -0.00009 -0.00235 -0.01146 0.00041 -0.01499 2 37 8 0.00034 -0.00304 -0.00115 -0.00101 -0.01861 3 37 8 -0.00013 -0.00135 -0.01096 0.00121 0.00099 1 38 1 -0.00017 0.00193 0.01351 -0.00027 0.00895 2 38 1 0.00042 0.02160 0.15700 -0.00133 0.16536 3 38 1 -0.00001 0.02151 0.13410 -0.00176 0.14492 1 39 6 0.00079 -0.00175 -0.00827 0.00131 0.00694 2 39 6 -0.00230 -0.00172 0.00718 0.00012 -0.01892 3 39 6 -0.00015 0.00102 0.00447 -0.00092 -0.00350 1 40 8 -0.00048 0.00091 0.00230 -0.00037 -0.00243 2 40 8 0.00079 -0.00004 -0.00465 0.00008 0.00490 3 40 8 -0.00024 0.00112 -0.00128 -0.00017 0.00018 1 41 8 0.00046 -0.00188 0.00244 0.00047 0.00220 2 41 8 0.00058 -0.00032 -0.00059 0.00010 0.00401 3 41 8 0.00151 -0.00577 0.00139 0.00194 0.00917 1 42 6 0.00030 -0.00016 -0.00071 0.00013 0.00286 2 42 6 -0.00022 -0.00045 0.00246 0.00000 -0.00249 3 42 6 0.00051 -0.00121 -0.00078 0.00051 0.00369 1 43 1 -0.00113 0.00199 0.00064 -0.00180 -0.01744 2 43 1 0.00112 0.00167 -0.00758 0.00017 0.01456 3 43 1 -0.00010 0.00046 -0.00181 -0.00057 -0.00486 1 44 1 0.00001 -0.00156 0.00341 0.00006 -0.00443 2 44 1 0.00083 0.00144 -0.00718 0.00095 0.01904 3 44 1 -0.00070 0.00322 -0.00032 -0.00200 -0.01047 1 45 1 -0.00121 0.00144 0.00033 -0.00116 -0.01700 2 45 1 0.00158 -0.00360 -0.00119 0.00158 0.01394 3 45 1 -0.00234 0.00388 0.00460 -0.00202 -0.02244 1 46 6 0.01298 -0.02401 -0.00424 0.04381 -0.01157 2 46 6 -0.01463 0.04081 0.01036 -0.04160 0.01828 3 46 6 0.00598 0.02360 0.00963 -0.00664 0.01611 1 47 6 -0.06565 -0.03353 -0.00517 -0.06273 0.00717 2 47 6 -0.08924 -0.03131 -0.00258 -0.00813 -0.00288 3 47 6 -0.04920 0.00999 0.00490 0.02700 -0.00433 1 48 6 0.05786 -0.02123 -0.00776 -0.03188 0.00149 2 48 6 0.02558 0.02907 0.00506 0.04002 -0.00264 3 48 6 -0.00551 0.03335 0.00928 0.08490 -0.00692 1 49 6 -0.05469 0.02859 0.00850 0.04707 -0.00453 2 49 6 -0.02422 0.01160 0.00179 -0.00746 -0.00251 3 49 6 -0.01355 -0.02033 0.00129 0.01535 -0.00075 1 50 6 0.01517 -0.06350 -0.01347 0.02060 -0.00954 2 50 6 0.01432 -0.05093 -0.00941 0.03808 -0.00842 3 50 6 0.01285 -0.00282 -0.00363 0.01076 -0.00627 1 51 1 -0.06931 0.15285 0.02924 -0.19129 0.05008 2 51 1 0.02979 -0.06100 -0.02655 0.11876 -0.06463 3 51 1 -0.02247 0.06430 -0.01255 -0.02113 -0.05023 1 52 1 -0.31339 0.22044 0.06641 0.36402 -0.03317 2 52 1 0.20810 -0.09136 -0.03401 -0.20432 0.01821 3 52 1 0.11750 -0.05350 -0.02348 -0.22644 0.01964 1 53 1 0.21517 -0.02236 -0.03504 -0.28056 0.01387 2 53 1 -0.09040 0.03940 -0.00054 0.06392 -0.01406 3 53 1 0.14227 -0.01494 -0.05124 -0.18481 -0.00529 1 54 1 -0.06020 0.35914 0.07710 -0.20675 0.06772 2 54 1 -0.14757 0.46966 0.10719 -0.27814 0.09986 3 54 1 -0.07975 0.02266 0.00787 -0.04455 0.01351 1 55 1 0.54469 0.32535 0.05153 0.32516 -0.01821 2 55 1 0.56417 0.18795 0.01467 0.12555 -0.00162 3 55 1 0.05440 -0.10141 -0.03102 -0.20972 0.02221 1 56 8 -0.00736 -0.00215 -0.00094 -0.01378 0.00209 2 56 8 0.01818 0.01075 0.00166 0.00506 0.00012 3 56 8 0.00421 -0.01684 -0.00452 -0.00534 -0.00237 1 57 8 0.01525 0.00777 0.00123 0.01255 -0.00107 2 57 8 0.00654 -0.01182 -0.00303 -0.02365 0.00339 3 57 8 0.02554 0.00258 -0.00074 -0.00916 0.00213 1 58 1 -0.10378 0.03314 0.01407 0.12112 -0.01766 2 58 1 -0.22598 0.07494 0.02933 0.25565 -0.03835 3 58 1 0.00895 -0.00026 -0.00001 -0.00369 0.00098 1 59 8 -0.00061 -0.01257 -0.00326 -0.02903 0.00320 2 59 8 0.00785 -0.01031 -0.00284 -0.02124 0.00198 3 59 8 -0.00229 -0.00808 -0.00210 -0.02018 0.00174 1 60 1 0.02201 0.15340 0.04015 0.36147 -0.03608 2 60 1 -0.00179 -0.00084 -0.00137 -0.00841 0.00069 3 60 1 -0.00763 -0.06518 -0.01672 -0.15227 0.01504 1 61 8 0.00412 -0.00403 0.00007 -0.00035 0.00134 2 61 8 0.00340 -0.00231 0.00139 0.00385 0.00152 3 61 8 -0.00797 0.00633 -0.00042 -0.01093 -0.00036 1 62 1 0.02934 -0.01816 0.00205 0.00285 0.00273 2 62 1 0.03900 -0.01542 0.00235 0.01618 0.01196 3 62 1 0.11803 -0.05183 0.00325 0.02169 0.02367 1 63 6 -0.00069 -0.00203 -0.00178 0.00016 -0.00204 2 63 6 0.00177 -0.02712 -0.00711 0.02255 -0.01497 3 63 6 -0.00465 -0.03842 -0.00770 0.01622 -0.01488 1 64 8 0.00172 0.00761 0.00121 -0.00372 0.00308 2 64 8 0.00117 0.01002 0.00181 -0.00627 0.00434 3 64 8 0.00261 0.01744 0.00278 -0.00974 0.00698 1 65 8 -0.00078 -0.00145 0.00013 -0.00127 -0.00079 2 65 8 -0.00024 0.00283 0.00035 -0.00245 0.00116 3 65 8 0.00076 0.00297 0.00058 -0.00027 0.00087 1 66 6 -0.00150 -0.01266 -0.00252 0.00548 -0.00500 2 66 6 -0.00046 -0.00253 -0.00021 0.00154 -0.00098 3 66 6 -0.00117 -0.00743 -0.00139 0.00374 -0.00338 1 67 1 0.00451 0.04400 0.01014 -0.01182 0.01537 2 67 1 0.00504 0.02869 0.00635 -0.00950 0.01314 3 67 1 0.00617 0.01742 0.00359 -0.00551 0.01110 1 68 1 -0.00109 0.05739 0.01273 -0.03250 0.02379 2 68 1 -0.00083 0.00918 0.00067 -0.00900 0.00619 3 68 1 -0.00110 0.03586 0.00776 -0.02121 0.01508 1 69 1 -0.00298 0.03983 0.01063 -0.01963 0.02057 2 69 1 -0.00633 -0.01677 -0.00430 0.00190 -0.00866 3 69 1 0.00670 0.00724 0.00291 0.00463 0.00477 1 70 19 -0.00002 0.00023 -0.00044 -0.00003 -0.00018 2 70 19 -0.00001 -0.00010 -0.00001 0.00007 0.00024 3 70 19 0.00002 -0.00012 0.00045 0.00004 0.00013 151 152 153 154 155 A A A A A Frequencies --- 1418.9259 1423.5748 1430.1291 1432.3153 1438.1340 Reduced masses --- 1.4041 1.6101 1.4574 1.3420 1.4976 Force constants --- 1.6656 1.9225 1.7562 1.6221 1.8250 IR Intensities --- 8.3569 65.2271 10.1966 51.1809 27.3825 Coord Atom Element: 1 1 6 0.01398 -0.00892 0.00418 0.01976 0.00039 2 1 6 -0.01194 0.01319 -0.00817 -0.03921 -0.00102 3 1 6 0.00711 -0.00027 -0.00297 -0.01003 -0.00042 1 2 6 -0.04635 0.01748 0.00858 0.00368 -0.00070 2 2 6 0.01162 -0.00930 -0.01127 -0.00745 -0.00052 3 2 6 0.02894 -0.01803 0.00146 0.03160 -0.00032 1 3 6 0.05833 -0.02980 -0.02634 -0.02331 -0.00018 2 3 6 -0.07703 0.03917 0.01636 -0.01671 0.00207 3 3 6 -0.03345 0.01234 -0.01646 -0.05149 0.00144 1 4 6 -0.05694 0.02576 0.00633 -0.01358 0.00077 2 4 6 0.04404 -0.01763 0.00220 0.02198 -0.00108 3 4 6 0.02661 -0.02380 -0.05801 -0.07694 -0.00152 1 5 6 0.00424 -0.00069 0.00303 0.00520 0.00001 2 5 6 -0.00615 0.00165 0.01025 0.02010 0.00059 3 5 6 0.00609 -0.00462 0.00652 0.01978 0.00047 1 6 1 -0.16890 0.09910 0.11048 0.10523 0.00321 2 6 1 0.45427 -0.21582 -0.08382 0.08354 -0.00916 3 6 1 0.21262 -0.08298 0.04779 0.19932 -0.00555 1 7 1 0.08968 0.04029 0.32953 0.53205 0.00274 2 7 1 -0.25022 0.12286 0.08401 0.02355 0.00572 3 7 1 -0.04243 0.07907 0.26198 0.37472 0.00457 1 8 1 -0.03254 0.01982 -0.01138 -0.04794 -0.00080 2 8 1 -0.02492 0.01249 0.00333 -0.00696 0.00014 3 8 1 -0.12646 0.07145 -0.01432 -0.11545 -0.00116 1 9 1 0.20413 -0.06236 0.04179 0.10289 0.00890 2 9 1 0.01399 0.01266 0.01144 -0.02208 0.00386 3 9 1 -0.33531 0.18128 0.03627 -0.16344 0.00122 1 10 8 -0.00554 0.00540 -0.00204 -0.01305 -0.00027 2 10 8 0.01628 -0.01114 0.00299 0.02212 0.00045 3 10 8 0.00140 -0.00076 0.00002 0.00074 0.00016 1 11 8 0.00820 -0.00500 -0.00441 -0.00124 0.00012 2 11 8 -0.02481 0.01483 0.00849 -0.00731 0.00053 3 11 8 -0.00074 0.00350 0.00249 -0.00424 0.00048 1 12 8 -0.00057 0.00195 0.00727 0.01333 -0.00036 2 12 8 0.01433 -0.00718 -0.00313 0.00192 -0.00019 3 12 8 -0.00175 0.00135 0.00313 0.00499 -0.00008 1 13 1 0.03007 -0.02085 -0.04202 -0.06610 0.00120 2 13 1 -0.03421 0.02602 0.05552 0.08826 -0.00170 3 13 1 -0.04570 0.03347 0.06970 0.11012 -0.00206 1 14 8 0.00477 -0.00429 -0.00864 -0.01015 -0.00025 2 14 8 0.00091 -0.00374 -0.01419 -0.02129 -0.00011 3 14 8 -0.00890 0.01149 0.03348 0.04757 0.00045 1 15 1 0.09075 -0.09612 -0.24496 -0.33429 -0.00362 2 15 1 -0.00700 0.00487 0.00747 0.00807 0.00014 3 15 1 0.07478 -0.07793 -0.19731 -0.26939 -0.00288 1 16 6 0.00020 -0.00088 -0.00712 -0.01096 -0.00015 2 16 6 -0.00442 -0.00193 0.00499 0.01865 0.00029 3 16 6 -0.00578 -0.00006 0.00530 0.01579 0.00017 1 17 8 -0.00379 0.00019 0.00174 0.00635 0.00003 2 17 8 0.00256 -0.00031 -0.00210 -0.00556 -0.00004 3 17 8 0.00342 -0.00060 -0.00166 -0.00469 -0.00002 1 18 8 0.00123 0.00098 0.00222 0.00019 0.00002 2 18 8 0.00106 0.00069 0.00011 -0.00243 -0.00007 3 18 8 0.00022 -0.00010 -0.00042 -0.00121 0.00005 1 19 6 0.00189 0.00035 -0.00424 -0.01121 -0.00012 2 19 6 -0.00011 -0.00016 -0.00106 -0.00163 -0.00003 3 19 6 -0.00105 0.00021 0.00130 0.00317 0.00000 1 20 1 -0.00017 -0.00251 0.01252 0.03151 0.00051 2 20 1 0.00196 -0.00089 0.00142 0.00172 0.00031 3 20 1 0.00229 0.00158 -0.00944 -0.02605 -0.00022 1 21 1 -0.00727 -0.00034 0.02199 0.04980 0.00078 2 21 1 -0.00114 0.00045 0.00110 0.00230 -0.00003 3 21 1 0.00649 -0.00282 -0.01486 -0.02989 -0.00008 1 22 1 0.00292 -0.00308 0.02168 0.05021 0.00059 2 22 1 -0.00296 0.00283 0.01542 0.02676 0.00025 3 22 1 0.00024 -0.00172 0.00577 0.01642 0.00017 1 23 6 -0.00438 0.01592 0.02257 -0.00970 -0.00168 2 23 6 -0.00203 -0.00175 -0.01121 0.00813 -0.01160 3 23 6 0.01352 -0.00040 0.00684 -0.00329 -0.00160 1 24 6 -0.01284 -0.00695 -0.02869 0.01499 0.00138 2 24 6 -0.02759 -0.00469 -0.06335 0.03044 -0.02718 3 24 6 0.01297 0.00423 0.02504 -0.01616 0.01042 1 25 6 0.05114 0.05242 0.07497 -0.05996 0.00741 2 25 6 0.00197 -0.00418 0.02306 0.00156 -0.00053 3 25 6 -0.03014 -0.02385 -0.04603 0.03165 -0.01217 1 26 6 0.02400 0.02851 0.04689 -0.01327 -0.00163 2 26 6 -0.02197 -0.00838 -0.01897 0.00974 0.00000 3 26 6 -0.01792 0.01796 0.02186 -0.01439 0.00676 1 27 6 0.03313 -0.03345 -0.03105 0.01858 -0.00352 2 27 6 0.03474 -0.01546 -0.01298 0.00067 -0.00186 3 27 6 -0.02812 0.00177 -0.00357 0.00704 0.00089 1 28 1 -0.02395 -0.04733 -0.09427 0.03718 0.00081 2 28 1 -0.00771 -0.04436 -0.06834 0.02220 0.00521 3 28 1 -0.00084 -0.02977 -0.06428 0.03227 -0.01265 1 29 1 -0.17168 -0.18899 -0.26473 0.17923 -0.01694 2 29 1 0.08752 0.10729 0.06417 -0.11661 0.04115 3 29 1 0.10493 0.13164 0.12917 -0.12436 0.01373 1 30 1 -0.11414 -0.16428 -0.29495 0.11581 -0.01658 2 30 1 0.12049 0.01942 0.06363 -0.01588 -0.01128 3 30 1 0.25633 -0.08940 -0.07981 0.03729 -0.04099 1 31 1 -0.25586 0.23319 0.19572 -0.12639 0.02822 2 31 1 -0.07697 -0.00267 -0.01401 0.01678 0.00962 3 31 1 0.16293 -0.04599 -0.02998 -0.00169 -0.02025 1 32 1 -0.00620 0.04414 0.05464 -0.02702 -0.16353 2 32 1 0.14977 0.01477 0.27278 -0.15547 0.19167 3 32 1 -0.10043 -0.01331 -0.19350 0.10423 -0.11317 1 33 8 0.00408 -0.00368 0.00208 -0.00167 0.00854 2 33 8 0.00801 0.00404 0.01859 -0.00961 0.00873 3 33 8 0.00414 0.00021 0.00876 -0.00450 0.01278 1 34 8 0.00075 0.00261 -0.00281 0.00131 -0.00396 2 34 8 0.00264 -0.00557 0.01313 -0.00481 0.00495 3 34 8 -0.00173 -0.00264 0.00294 -0.00139 -0.00224 1 35 8 -0.01954 -0.01890 -0.02502 0.02061 -0.00285 2 35 8 -0.00517 -0.00440 -0.00919 0.00559 0.00004 3 35 8 -0.00840 -0.01055 -0.01072 0.01036 -0.00037 1 36 1 0.00276 0.00309 0.00423 -0.00361 -0.00034 2 36 1 0.13039 0.12613 0.16914 -0.13990 0.01145 3 36 1 0.15520 0.15094 0.20412 -0.16783 0.01816 1 37 8 -0.01853 -0.00826 -0.01372 0.00632 0.00124 2 37 8 -0.01847 -0.00352 -0.00732 0.00336 0.00212 3 37 8 -0.00367 -0.00418 -0.00537 0.00323 0.00006 1 38 1 0.01421 0.00470 0.00753 -0.00414 -0.00119 2 38 1 0.18782 0.08257 0.12670 -0.06877 -0.01450 3 38 1 0.16506 0.07476 0.11529 -0.05955 -0.01300 1 39 6 0.00402 -0.00644 -0.00865 0.00296 -0.00132 2 39 6 -0.00311 0.00850 0.01668 -0.00565 0.00585 3 39 6 -0.00180 0.00247 0.00250 -0.00064 0.00027 1 40 8 -0.00138 0.00175 0.00216 -0.00032 0.00017 2 40 8 0.00181 -0.00287 -0.00457 0.00102 -0.00110 3 40 8 0.00045 -0.00034 -0.00070 0.00061 -0.00042 1 41 8 -0.00096 0.00035 0.00011 0.00010 0.00006 2 41 8 0.00037 -0.00150 -0.00295 0.00100 -0.00108 3 41 8 -0.00018 -0.00205 -0.00355 0.00113 -0.00028 1 42 6 -0.00053 -0.00047 -0.00117 0.00197 -0.00063 2 42 6 -0.00053 0.00152 0.00265 -0.00129 0.00085 3 42 6 -0.00024 -0.00095 -0.00197 0.00162 -0.00053 1 43 1 0.00790 -0.00103 0.00430 -0.01313 0.00356 2 43 1 0.00528 -0.01009 -0.01955 0.00480 -0.00620 3 43 1 0.00531 -0.00315 -0.00253 -0.00566 0.00059 1 44 1 -0.00071 0.00255 0.00472 -0.00290 0.00201 2 44 1 -0.00233 -0.00529 -0.01256 0.01288 -0.00579 3 44 1 0.00660 -0.00229 0.00056 -0.00774 0.00097 1 45 1 0.00313 0.00278 0.00748 -0.01202 0.00451 2 45 1 0.00262 -0.00657 -0.01310 0.00447 -0.00378 3 45 1 -0.00404 0.01088 0.02155 -0.00846 0.00665 1 46 6 0.00995 0.03626 -0.01706 0.00711 -0.01875 2 46 6 -0.02034 -0.06667 0.02566 -0.00963 0.03039 3 46 6 -0.03007 -0.09951 0.03773 -0.01258 0.03868 1 47 6 -0.00320 -0.01308 0.00891 -0.00427 0.01361 2 47 6 0.00009 -0.00018 0.00411 -0.00141 -0.06224 3 47 6 0.00536 0.03114 -0.02911 0.01481 -0.02453 1 48 6 -0.00435 -0.02324 0.02373 -0.01079 -0.10924 2 48 6 -0.00273 -0.01344 0.01054 -0.00514 0.01668 3 48 6 -0.01364 -0.06489 0.05714 -0.02653 -0.09184 1 49 6 0.00746 0.03368 -0.02595 0.01089 0.08338 2 49 6 0.00461 0.01716 -0.00810 0.00377 -0.00401 3 49 6 -0.00772 -0.02451 0.00848 -0.00141 0.03224 1 50 6 -0.00719 -0.03904 0.02705 -0.00956 0.01925 2 50 6 0.00334 0.00756 -0.00235 0.00085 0.01263 3 50 6 0.01487 0.04906 -0.01852 0.00538 -0.04437 1 51 1 -0.03025 -0.09841 0.04138 -0.01825 0.01951 2 51 1 0.10253 0.34823 -0.14230 0.05068 -0.14562 3 51 1 0.13079 0.44589 -0.17886 0.06008 -0.22141 1 52 1 0.01368 0.07876 -0.07850 0.03694 0.42146 2 52 1 0.00939 0.03379 -0.02303 0.00981 -0.06746 3 52 1 0.05455 0.24928 -0.20996 0.09572 0.33635 1 53 1 0.01516 0.02945 0.01756 -0.01145 -0.28172 2 53 1 0.02817 0.10078 -0.06192 0.02318 0.14017 3 53 1 0.05063 0.14778 -0.05851 0.01526 -0.05099 1 54 1 0.00497 0.06275 -0.03927 0.00748 -0.16901 2 54 1 -0.01957 0.00452 -0.03884 0.00975 -0.02547 3 54 1 -0.03100 -0.10364 0.03397 -0.00867 0.19124 1 55 1 0.00786 0.06690 -0.08705 0.04438 0.06740 2 55 1 0.01495 0.05721 -0.05089 0.01992 0.31527 3 55 1 0.01100 0.01880 0.00098 -0.00743 0.32113 1 56 8 -0.00039 -0.00267 0.00205 -0.00125 0.00857 2 56 8 -0.00013 0.00056 -0.00123 0.00069 -0.00303 3 56 8 0.00389 0.01031 -0.00108 -0.00038 0.00057 1 57 8 0.00052 0.00236 -0.00219 0.00102 0.00363 2 57 8 -0.00205 -0.01034 0.00801 -0.00408 0.01456 3 57 8 -0.00176 -0.00833 0.00596 -0.00298 0.01133 1 58 1 0.00976 0.04850 -0.03649 0.01852 -0.05420 2 58 1 0.02177 0.10701 -0.07995 0.04054 -0.13200 3 58 1 -0.00069 -0.00274 0.00172 -0.00083 0.00789 1 59 8 0.00271 0.01295 -0.01239 0.00563 0.02887 2 59 8 0.00152 0.00669 -0.00529 0.00234 0.00160 3 59 8 0.00199 0.00945 -0.00834 0.00383 0.01571 1 60 1 -0.03471 -0.16248 0.14593 -0.06569 -0.28319 2 60 1 0.00258 0.01137 -0.00967 0.00445 0.00849 3 60 1 0.01413 0.06650 -0.05973 0.02693 0.11728 1 61 8 -0.00238 -0.00795 0.00368 -0.00132 -0.00803 2 61 8 -0.00364 -0.01179 0.00553 -0.00204 -0.00369 3 61 8 0.00516 0.01973 -0.01169 0.00465 0.00500 1 62 1 -0.01363 -0.04825 0.02834 -0.01111 -0.02741 2 62 1 -0.02126 -0.07694 0.03929 -0.01587 -0.03884 3 62 1 -0.05400 -0.19751 0.10846 -0.04390 -0.10426 1 63 6 0.00293 0.00547 0.00094 -0.00136 0.00157 2 63 6 0.01924 0.06793 -0.02895 0.01122 -0.02801 3 63 6 0.01860 0.06599 -0.02723 0.01050 -0.02469 1 64 8 -0.00387 -0.01517 0.00718 -0.00305 0.00675 2 64 8 -0.00533 -0.01971 0.00872 -0.00353 0.00841 3 64 8 -0.00828 -0.03164 0.01452 -0.00599 0.01272 1 65 8 0.00109 0.00788 -0.00581 0.00291 -0.00590 2 65 8 -0.00199 -0.00719 0.00329 -0.00129 0.00297 3 65 8 -0.00149 -0.00394 0.00068 0.00000 0.00079 1 66 6 0.00591 0.02147 -0.00897 0.00354 -0.00788 2 66 6 0.00117 0.00504 -0.00262 0.00115 -0.00164 3 66 6 0.00444 0.01661 -0.00742 0.00297 -0.00662 1 67 1 -0.01769 -0.05837 0.01963 -0.00649 0.02417 2 67 1 -0.01819 -0.06571 0.02745 -0.01034 0.02741 3 67 1 -0.01836 -0.07007 0.03231 -0.01265 0.02938 1 68 1 -0.02708 -0.09256 0.03579 -0.01331 0.02794 2 68 1 -0.00900 -0.03728 0.01928 -0.00819 0.00802 3 68 1 -0.01707 -0.05927 0.02354 -0.00893 0.01695 1 69 1 -0.02681 -0.09233 0.03617 -0.01295 0.02628 2 69 1 0.01360 0.04895 -0.02036 0.00751 -0.02357 3 69 1 -0.00945 -0.03268 0.01267 -0.00424 0.01994 1 70 19 -0.00003 -0.00035 0.00034 0.00004 0.00031 2 70 19 0.00001 -0.00004 0.00005 0.00002 -0.00005 3 70 19 0.00010 0.00000 -0.00007 -0.00011 -0.00002 156 157 158 159 160 A A A A A Frequencies --- 1444.7143 1449.0857 1453.1695 1453.5105 1463.2034 Reduced masses --- 1.5861 1.6626 1.2885 1.4111 1.3146 Force constants --- 1.9506 2.0570 1.6031 1.7564 1.6582 IR Intensities --- 12.9752 16.5796 25.1901 93.4992 13.4358 Coord Atom Element: 1 1 6 0.00049 0.01579 -0.00474 -0.01989 -0.00412 2 1 6 -0.00062 -0.01955 0.00207 0.02198 0.01443 3 1 6 0.00000 0.00031 -0.00494 -0.00915 0.00717 1 2 6 -0.00309 -0.12394 -0.01550 -0.05333 0.01834 2 2 6 -0.00042 -0.01394 -0.01201 -0.03802 0.00562 3 2 6 -0.00162 -0.04618 0.01323 0.02532 -0.01295 1 3 6 0.00276 0.09104 -0.03391 -0.09631 0.00898 2 3 6 0.00258 0.06277 0.01987 0.06773 -0.01065 3 3 6 0.00484 0.13180 -0.02728 -0.06896 0.00749 1 4 6 0.00043 0.00504 0.01352 0.04307 -0.00457 2 4 6 -0.00129 -0.03256 -0.01043 -0.03402 0.00665 3 4 6 -0.00180 -0.05270 0.00894 0.02957 0.00248 1 5 6 -0.00003 -0.00095 -0.00042 -0.00103 0.00041 2 5 6 0.00041 0.01233 0.00060 -0.00329 -0.00558 3 5 6 0.00010 0.00191 0.00157 -0.00088 -0.00590 1 6 1 -0.00246 -0.07414 0.11915 0.34804 -0.05223 2 6 1 -0.01248 -0.28682 -0.03789 -0.14698 0.02071 3 6 1 -0.01649 -0.41979 0.10458 0.26660 -0.03747 1 7 1 0.00161 0.08619 -0.07020 -0.23649 0.00960 2 7 1 0.00676 0.16467 0.01793 0.06162 -0.01686 3 7 1 0.00455 0.14693 -0.04200 -0.13971 -0.00152 1 8 1 -0.00068 -0.02502 0.00838 0.03877 0.00979 2 8 1 0.00009 -0.00001 0.00396 0.01400 0.00011 3 8 1 -0.00075 -0.02559 0.02730 0.11634 0.01945 1 9 1 0.01333 0.50785 0.18312 0.56011 -0.15477 2 9 1 0.00744 0.24803 0.05181 0.18080 -0.03934 3 9 1 0.00258 -0.00746 -0.03478 -0.04379 0.06882 1 10 8 0.00003 0.00304 0.00109 0.00898 0.00399 2 10 8 0.00016 0.00728 0.00096 -0.00543 -0.00852 3 10 8 0.00023 0.00845 -0.00070 -0.00234 -0.00089 1 11 8 0.00071 0.02425 0.00333 0.00744 -0.00748 2 11 8 0.00008 -0.02772 -0.00614 -0.01779 0.00995 3 11 8 0.00039 0.00401 -0.00071 -0.00122 -0.00029 1 12 8 -0.00154 -0.04475 0.01176 0.03267 -0.00248 2 12 8 0.00002 0.00405 -0.00535 -0.01703 0.00148 3 12 8 -0.00032 -0.00790 0.00051 0.00078 0.00045 1 13 1 0.00651 0.19247 -0.05053 -0.14034 0.01125 2 13 1 -0.00873 -0.25614 0.06691 0.18672 -0.01396 3 13 1 -0.01080 -0.31683 0.08255 0.22911 -0.01759 1 14 8 -0.00033 -0.00932 0.00117 0.00301 0.00011 2 14 8 0.00005 0.00106 0.00145 0.00552 -0.00029 3 14 8 0.00024 0.00901 -0.00326 -0.01220 -0.00037 1 15 1 -0.00234 -0.07719 0.01951 0.07275 0.00330 2 15 1 0.00014 0.00092 0.00146 0.00416 -0.00070 3 15 1 -0.00181 -0.06169 0.01606 0.06020 0.00258 1 16 6 -0.00041 -0.00578 0.00173 0.00403 -0.00185 2 16 6 -0.00001 0.00580 0.00132 -0.00510 -0.00798 3 16 6 -0.00004 0.00466 0.00129 -0.00305 -0.00604 1 17 8 -0.00012 0.00124 0.00067 -0.00148 -0.00272 2 17 8 0.00001 -0.00165 -0.00030 0.00131 0.00177 3 17 8 0.00006 -0.00081 -0.00059 0.00054 0.00181 1 18 8 0.00022 0.00090 -0.00097 0.00047 0.00326 2 18 8 0.00000 -0.00059 -0.00031 0.00151 0.00235 3 18 8 0.00005 -0.00063 -0.00005 0.00048 0.00045 1 19 6 -0.00010 -0.00505 0.00038 0.00520 0.00319 2 19 6 -0.00006 -0.00137 0.00035 0.00104 -0.00003 3 19 6 -0.00002 0.00158 -0.00021 -0.00195 -0.00095 1 20 1 0.00074 0.01637 -0.00194 -0.01488 -0.00780 2 20 1 0.00049 0.00114 0.00085 0.00544 0.00121 3 20 1 -0.00023 -0.01269 0.00191 0.01633 0.00819 1 21 1 0.00102 0.02481 -0.00196 -0.01808 -0.01026 2 21 1 -0.00004 0.00125 -0.00030 -0.00209 -0.00069 3 21 1 -0.00023 -0.01878 0.00411 0.02207 0.00625 1 22 1 0.00108 0.02899 -0.00620 -0.03252 -0.01071 2 22 1 0.00064 0.01896 -0.00425 -0.01732 -0.00269 3 22 1 0.00021 0.00783 -0.00130 -0.01001 -0.00484 1 23 6 -0.00236 -0.00508 -0.01403 0.00606 0.01439 2 23 6 -0.01010 -0.00353 -0.01402 0.00897 0.00853 3 23 6 -0.00188 0.00855 -0.00824 0.00964 0.00591 1 24 6 0.00478 0.00289 0.03075 -0.01072 -0.04102 2 24 6 -0.02264 -0.00230 -0.00717 -0.00328 0.00090 3 24 6 0.01149 -0.00211 0.00800 -0.00394 -0.00778 1 25 6 0.00574 -0.01508 -0.01319 -0.01731 -0.05548 2 25 6 -0.00162 0.01009 -0.01832 0.02202 0.02616 3 25 6 -0.01065 0.00294 -0.00598 0.00348 0.01627 1 26 6 -0.00030 0.01086 -0.01632 0.03550 0.09259 2 26 6 -0.00026 -0.00687 0.00720 -0.00661 -0.00978 3 26 6 0.00481 -0.01063 0.00664 -0.00764 -0.03229 1 27 6 -0.00282 0.02480 0.00902 0.01920 -0.02109 2 27 6 -0.00090 0.02537 -0.00015 0.00481 -0.00212 3 27 6 0.00097 -0.01032 0.00411 -0.00262 0.00572 1 28 1 0.00595 0.01127 0.04561 -0.03862 -0.03087 2 28 1 0.00657 0.02873 0.02608 -0.02789 -0.00590 3 28 1 -0.00716 -0.00018 0.01845 -0.00523 -0.02703 1 29 1 -0.01176 0.01811 0.04550 -0.00804 0.06226 2 29 1 0.04711 -0.05538 0.08920 -0.10436 -0.16782 3 29 1 0.01483 -0.03713 0.00504 -0.04774 -0.11460 1 30 1 -0.01586 -0.03047 0.05848 -0.12344 -0.16894 2 30 1 -0.00632 0.04435 -0.04029 0.07368 0.15942 3 30 1 -0.02838 0.09645 -0.05406 0.06185 0.18442 1 31 1 0.02144 -0.21639 -0.04914 -0.17125 0.10753 2 31 1 0.00850 -0.01601 0.02591 -0.01049 -0.01510 3 31 1 -0.01616 0.07415 -0.03090 0.03428 0.01477 1 32 1 -0.17461 -0.04240 -0.45509 0.14894 0.48704 2 32 1 0.17345 0.00622 0.20576 -0.06730 -0.17711 3 32 1 -0.09666 -0.00459 -0.08680 0.02277 0.06245 1 33 8 0.00699 0.00126 0.01293 -0.00535 -0.00856 2 33 8 0.00772 0.00045 0.00747 -0.00213 -0.00775 3 33 8 0.01104 0.00033 0.02047 -0.00754 -0.01727 1 34 8 0.00139 0.00090 0.00771 -0.00215 -0.00334 2 34 8 0.00282 0.00026 -0.00960 0.00517 0.00984 3 34 8 -0.00493 -0.00145 -0.01558 0.00478 0.01271 1 35 8 -0.00315 0.00487 0.00209 0.00632 0.01777 2 35 8 -0.00050 0.00059 0.00411 -0.00061 0.00347 3 35 8 -0.00111 0.00338 0.00171 0.00386 0.01119 1 36 1 0.00053 -0.00127 -0.00277 -0.00085 -0.00490 2 36 1 0.01848 -0.03374 -0.02291 -0.04266 -0.14346 3 36 1 0.02321 -0.04184 -0.03234 -0.04934 -0.15615 1 37 8 0.00051 -0.00613 0.00535 -0.01228 -0.02834 2 37 8 0.00109 -0.00611 0.00505 -0.01135 -0.02511 3 37 8 -0.00023 -0.00114 0.00082 -0.00405 -0.00707 1 38 1 -0.00037 0.00721 -0.00226 0.01222 0.02040 2 38 1 -0.00553 0.05870 -0.05176 0.13055 0.30549 3 38 1 -0.00493 0.06541 -0.04392 0.12645 0.26644 1 39 6 -0.00134 0.00226 0.00008 0.00001 -0.00059 2 39 6 0.00528 0.00019 0.00551 0.00233 -0.00233 3 39 6 0.00016 -0.00242 0.00005 -0.00153 0.00125 1 40 8 0.00025 0.00006 0.00030 0.00087 0.00011 2 40 8 -0.00116 -0.00055 -0.00151 -0.00210 0.00067 3 40 8 -0.00042 0.00086 -0.00015 0.00072 0.00016 1 41 8 0.00019 -0.00048 0.00038 -0.00031 -0.00067 2 41 8 -0.00094 0.00003 -0.00106 -0.00023 0.00022 3 41 8 0.00000 0.00064 0.00112 -0.00029 -0.00217 1 42 6 -0.00060 0.00106 -0.00039 -0.00014 -0.00011 2 42 6 0.00090 -0.00112 0.00056 -0.00026 0.00006 3 42 6 -0.00050 0.00104 0.00028 0.00033 -0.00053 1 43 1 0.00316 -0.01110 -0.00312 -0.00791 0.00320 2 43 1 -0.00586 0.00531 -0.00134 0.00446 -0.00071 3 43 1 0.00044 -0.00455 -0.00161 -0.00320 0.00119 1 44 1 0.00183 -0.00256 0.00163 -0.00062 -0.00016 2 44 1 -0.00533 0.01088 -0.00203 0.00466 -0.00149 3 44 1 0.00086 -0.00852 -0.00505 -0.00828 0.00367 1 45 1 0.00384 -0.00679 0.00273 0.00018 0.00063 2 45 1 -0.00332 0.00376 0.00074 0.00273 -0.00176 3 45 1 0.00609 -0.00711 0.00011 -0.00409 0.00233 1 46 6 -0.00101 0.00023 0.00004 -0.00038 -0.00169 2 46 6 0.02077 -0.00046 0.00616 -0.00108 0.00682 3 46 6 0.06551 -0.00159 0.00508 0.00101 0.02552 1 47 6 -0.04139 0.00149 0.00959 -0.00334 0.00088 2 47 6 0.04323 -0.00092 -0.00100 0.00061 -0.00126 3 47 6 0.14471 -0.00489 -0.03046 0.01115 0.00161 1 48 6 0.02794 0.00037 0.01629 -0.00566 -0.00393 2 48 6 -0.04843 0.00195 0.01640 -0.00523 0.00498 3 48 6 -0.08670 0.00482 0.05613 -0.01846 0.00812 1 49 6 -0.02762 0.00150 0.02407 -0.00672 0.02591 2 49 6 0.01848 -0.00011 0.00001 0.00079 0.00454 3 49 6 -0.00676 -0.00427 -0.09143 0.02819 -0.04483 1 50 6 0.01449 -0.00067 -0.01303 0.00686 0.01933 2 50 6 0.00539 0.00012 0.01824 -0.00505 0.02739 3 50 6 -0.01815 0.00142 0.02238 -0.00886 -0.00708 1 51 1 -0.00104 0.00061 0.02170 -0.00727 -0.00493 2 51 1 -0.15573 0.00247 -0.04823 0.00640 -0.10180 3 51 1 -0.23096 0.00383 -0.06206 0.00556 -0.16461 1 52 1 -0.14960 0.00290 -0.00852 0.00755 0.05554 2 52 1 0.12252 -0.00449 -0.03340 0.00939 -0.02190 3 52 1 0.29858 -0.01591 -0.16877 0.05570 -0.01375 1 53 1 0.09602 0.00446 0.09428 -0.02988 0.00707 2 53 1 0.02192 0.01186 0.27188 -0.07853 0.20017 3 53 1 0.12679 0.02496 0.57126 -0.16830 0.35335 1 54 1 -0.03566 0.00098 0.03663 -0.02248 -0.10514 2 54 1 -0.04678 -0.00114 0.00776 -0.01263 -0.10073 3 54 1 -0.01344 -0.00282 -0.07260 0.02763 0.00953 1 55 1 0.35413 -0.01255 -0.08156 0.03005 0.01177 2 55 1 -0.19892 0.00364 -0.01056 0.00214 0.00133 3 55 1 -0.47373 0.01281 0.04313 -0.01796 -0.00644 1 56 8 -0.01366 0.00028 0.00072 -0.00043 -0.00130 2 56 8 0.00816 -0.00023 -0.00109 0.00037 0.00016 3 56 8 -0.03525 0.00110 0.00421 -0.00194 -0.00316 1 57 8 0.00482 -0.00027 -0.00257 0.00084 -0.00026 2 57 8 -0.04254 0.00121 0.00571 -0.00233 -0.00145 3 57 8 -0.02990 0.00096 0.00560 -0.00207 -0.00019 1 58 1 0.17759 -0.00567 -0.03308 0.01267 0.00382 2 58 1 0.40223 -0.01200 -0.06082 0.02420 0.01403 3 58 1 -0.01460 0.00025 -0.00156 0.00034 -0.00198 1 59 8 0.01288 -0.00114 -0.01542 0.00483 -0.00416 2 59 8 0.01155 -0.00051 -0.00440 0.00131 -0.00149 3 59 8 0.00845 -0.00049 -0.00650 0.00215 -0.00060 1 60 1 -0.15700 0.00997 0.11857 -0.03786 0.01786 2 60 1 0.02421 -0.00098 -0.00909 0.00300 -0.00165 3 60 1 0.06034 -0.00394 -0.04798 0.01532 -0.00701 1 61 8 0.00200 -0.00097 -0.01907 0.00541 -0.01375 2 61 8 -0.00730 -0.00094 -0.02225 0.00630 -0.01617 3 61 8 0.01216 0.00133 0.03187 -0.00934 0.02249 1 62 1 -0.02116 -0.00276 -0.06218 0.01848 -0.04860 2 62 1 -0.02404 -0.00656 -0.14133 0.03939 -0.11300 3 62 1 -0.06988 -0.01409 -0.30814 0.08750 -0.24986 1 63 6 -0.00315 -0.00024 -0.00010 0.00010 -0.00095 2 63 6 -0.02906 0.00090 -0.00602 0.00091 -0.01288 3 63 6 -0.03691 0.00123 -0.00164 -0.00016 -0.00753 1 64 8 0.00616 -0.00029 0.00058 0.00002 0.00155 2 64 8 0.00846 -0.00034 0.00078 -0.00003 0.00233 3 64 8 0.01393 -0.00058 0.00068 0.00006 0.00263 1 65 8 -0.00564 0.00037 -0.00172 0.00032 -0.00271 2 65 8 0.00293 -0.00010 0.00049 -0.00003 0.00176 3 65 8 0.00295 -0.00004 -0.00056 0.00019 0.00048 1 66 6 -0.01515 0.00052 -0.00069 0.00005 -0.00268 2 66 6 -0.00252 0.00010 -0.00037 0.00011 -0.00027 3 66 6 -0.00959 0.00036 -0.00071 0.00004 -0.00312 1 67 1 0.05807 -0.00162 0.00066 0.00031 0.00986 2 67 1 0.05088 -0.00164 0.00317 -0.00011 0.01643 3 67 1 0.04793 -0.00164 0.00501 -0.00043 0.02147 1 68 1 0.05667 -0.00152 0.00490 -0.00107 0.00852 2 68 1 0.01895 -0.00054 0.00533 -0.00157 0.00529 3 68 1 0.03650 -0.00096 0.00386 -0.00099 0.00495 1 69 1 0.07680 -0.00187 0.00882 -0.00221 0.02043 2 69 1 -0.03927 0.00137 -0.00153 -0.00044 -0.01610 3 69 1 0.03011 -0.00106 0.00023 0.00093 0.01584 1 70 19 0.00040 0.00011 0.00022 -0.00023 -0.00052 2 70 19 0.00000 0.00005 -0.00014 0.00015 0.00027 3 70 19 0.00006 0.00001 0.00017 0.00014 -0.00003 161 162 163 164 165 A A A A A Frequencies --- 1468.9012 1493.2505 1505.0628 1507.6943 1507.9588 Reduced masses --- 1.4004 1.1918 1.1206 1.0474 1.0492 Force constants --- 1.7803 1.5658 1.4956 1.4028 1.4057 IR Intensities --- 8.5456 6.2377 2.8805 4.7656 26.2799 Coord Atom Element: 1 1 6 0.00441 -0.00019 -0.00008 -0.00012 -0.00121 2 1 6 -0.01414 -0.00012 0.00013 -0.00062 -0.00291 3 1 6 -0.00633 -0.00032 0.00001 -0.00074 -0.00408 1 2 6 -0.01822 -0.00241 0.00003 0.00030 0.00032 2 2 6 -0.00378 -0.00077 0.00002 -0.00011 0.00026 3 2 6 0.01109 0.00021 -0.00001 -0.00060 -0.00121 1 3 6 -0.00387 -0.00089 -0.00002 0.00001 0.00163 2 3 6 0.00743 0.00162 0.00002 0.00015 -0.00060 3 3 6 -0.00409 0.00052 -0.00001 0.00050 0.00159 1 4 6 0.00269 0.00128 0.00001 0.00039 -0.00071 2 4 6 -0.00506 -0.00090 0.00002 -0.00010 -0.00090 3 4 6 -0.00319 -0.00149 0.00002 -0.00189 -0.00378 1 5 6 -0.00045 0.00006 0.00005 0.00033 0.00122 2 5 6 0.00527 0.00029 -0.00004 0.00038 0.00152 3 5 6 0.00531 0.00011 0.00008 0.00087 0.00543 1 6 1 0.03602 0.00613 0.00000 0.00086 -0.00341 2 6 1 -0.01303 -0.00735 -0.00002 -0.00283 -0.00086 3 6 1 0.02519 0.00009 -0.00003 -0.00169 -0.00510 1 7 1 -0.00162 0.00301 -0.00010 0.00671 0.01141 2 7 1 0.01318 0.00839 -0.00011 0.00329 0.00460 3 7 1 0.00557 0.00579 -0.00015 0.00585 0.00993 1 8 1 -0.01022 0.00036 0.00014 -0.00102 0.00102 2 8 1 -0.00045 0.00043 -0.00001 -0.00072 0.00012 3 8 1 -0.02135 0.00129 -0.00001 -0.00046 -0.01032 1 9 1 0.13669 0.01356 0.00002 -0.00167 -0.00541 2 9 1 0.03497 0.00478 0.00003 -0.00016 -0.00093 3 9 1 -0.06685 -0.00184 0.00003 0.00211 0.00324 1 10 8 -0.00380 0.00012 0.00001 -0.00015 -0.00022 2 10 8 0.00823 0.00013 -0.00003 0.00028 0.00094 3 10 8 0.00111 0.00008 -0.00001 0.00022 0.00054 1 11 8 0.00794 0.00069 -0.00002 -0.00004 -0.00041 2 11 8 -0.01175 -0.00060 -0.00003 0.00012 0.00013 3 11 8 0.00115 -0.00030 0.00002 0.00012 0.00017 1 12 8 0.00081 0.00006 0.00001 -0.00018 -0.00079 2 12 8 -0.00061 -0.00024 -0.00001 0.00006 0.00057 3 12 8 -0.00037 -0.00006 -0.00001 0.00013 0.00018 1 13 1 -0.00376 -0.00045 -0.00006 0.00078 0.00312 2 13 1 0.00456 0.00097 0.00011 -0.00029 -0.00470 3 13 1 0.00564 0.00071 0.00008 -0.00100 -0.00492 1 14 8 -0.00022 -0.00042 -0.00001 -0.00030 -0.00009 2 14 8 0.00018 -0.00017 0.00000 -0.00022 -0.00026 3 14 8 0.00068 0.00050 -0.00003 0.00072 0.00119 1 15 1 -0.00476 -0.00403 0.00014 -0.00491 -0.00823 2 15 1 0.00029 -0.00006 0.00000 -0.00037 -0.00104 3 15 1 -0.00389 -0.00317 0.00013 -0.00419 -0.00767 1 16 6 0.00261 0.00041 -0.00020 -0.00040 -0.00516 2 16 6 0.00790 0.00040 -0.00025 0.00076 0.00453 3 16 6 0.00585 0.00027 -0.00024 0.00070 0.00267 1 17 8 0.00279 0.00028 -0.00020 0.00035 0.00031 2 17 8 -0.00170 -0.00007 0.00004 -0.00035 -0.00299 3 17 8 -0.00177 -0.00018 -0.00002 -0.00151 -0.01324 1 18 8 -0.00373 -0.00034 0.00022 0.00005 0.00262 2 18 8 -0.00249 -0.00015 0.00006 0.00000 0.00011 3 18 8 -0.00050 -0.00006 0.00007 -0.00006 0.00044 1 19 6 -0.00301 0.00037 -0.00030 -0.00204 -0.02224 2 19 6 0.00014 0.00022 -0.00001 0.00118 0.00967 3 19 6 0.00102 -0.00020 -0.00055 -0.00524 -0.05227 1 20 1 0.00662 -0.00135 0.00305 0.02331 0.24469 2 20 1 -0.00283 0.00018 0.00538 0.04308 0.44482 3 20 1 -0.00840 0.00116 0.00101 0.00811 0.08194 1 21 1 0.00802 -0.00229 0.00298 0.01446 0.17009 2 21 1 0.00093 -0.00022 -0.00126 -0.01124 -0.11324 3 21 1 -0.00686 0.00300 0.00677 0.06920 0.68223 1 22 1 0.01003 -0.00335 -0.00065 -0.01465 -0.13060 2 22 1 0.00216 -0.00310 -0.00358 -0.04641 -0.44209 3 22 1 0.00478 -0.00061 0.00035 0.00364 0.03652 1 23 6 0.00325 -0.01096 0.00029 0.00084 -0.00010 2 23 6 0.01739 0.01044 -0.00009 0.00144 -0.00007 3 23 6 0.00546 -0.00781 0.00022 -0.00100 0.00008 1 24 6 -0.06033 0.00039 -0.00127 0.00023 0.00015 2 24 6 0.01758 0.00320 -0.00079 0.00013 -0.00001 3 24 6 -0.00289 0.00055 0.00039 0.00007 0.00000 1 25 6 0.09875 0.00068 0.00035 0.00002 0.00043 2 25 6 -0.00912 -0.00126 0.00031 -0.00004 -0.00008 3 25 6 -0.01433 0.00030 -0.00031 -0.00005 -0.00006 1 26 6 -0.10242 -0.00423 0.00002 0.00030 -0.00075 2 26 6 0.00983 -0.00054 0.00005 -0.00006 -0.00009 3 26 6 0.03329 -0.00094 0.00019 0.00012 -0.00005 1 27 6 0.02645 0.00407 -0.00002 -0.00069 0.00062 2 27 6 0.00537 0.00129 -0.00002 -0.00027 0.00001 3 27 6 -0.01544 0.00020 -0.00011 0.00001 -0.00012 1 28 1 -0.03433 0.00721 -0.00133 -0.00020 -0.00025 2 28 1 -0.03314 0.01981 -0.00065 -0.00437 -0.00020 3 28 1 0.00893 0.00211 -0.00090 0.00258 0.00001 1 29 1 -0.16549 0.00261 -0.00108 -0.00024 -0.00041 2 29 1 0.04804 0.00514 -0.00105 0.00054 0.00043 3 29 1 0.13498 0.00173 -0.00023 0.00031 0.00059 1 30 1 0.17292 0.01284 -0.00053 -0.00122 0.00154 2 30 1 -0.15293 -0.00286 0.00000 -0.00008 -0.00068 3 30 1 -0.15170 0.01029 -0.00067 -0.00124 0.00069 1 31 1 -0.15664 -0.02015 -0.00017 0.00228 -0.00094 2 31 1 -0.01720 -0.00132 -0.00014 -0.00040 -0.00024 3 31 1 0.03506 0.00677 0.00009 -0.00016 0.00043 1 32 1 0.61902 0.01677 0.00236 0.00093 -0.00007 2 32 1 -0.20527 -0.01404 0.00368 -0.00054 0.00019 3 32 1 0.08601 0.01045 -0.00256 0.00045 -0.00010 1 33 8 -0.00824 0.00068 0.00014 -0.00016 -0.00007 2 33 8 -0.00981 -0.00227 0.00007 -0.00021 0.00003 3 33 8 -0.02189 -0.00062 0.00008 -0.00006 -0.00001 1 34 8 -0.00720 -0.00028 0.00020 -0.00012 -0.00011 2 34 8 0.00218 -0.00027 0.00071 -0.00009 -0.00006 3 34 8 0.01834 0.00039 -0.00016 0.00008 0.00005 1 35 8 -0.02158 -0.00015 -0.00001 -0.00004 -0.00012 2 35 8 -0.00673 -0.00003 -0.00005 0.00000 0.00001 3 35 8 -0.01160 -0.00012 0.00004 -0.00001 -0.00003 1 36 1 0.00613 0.00010 -0.00002 -0.00002 -0.00003 2 36 1 0.14208 0.00101 -0.00021 0.00024 0.00054 3 36 1 0.18349 0.00145 -0.00004 0.00023 0.00080 1 37 8 0.02834 0.00072 0.00001 -0.00001 0.00025 2 37 8 0.02379 0.00062 -0.00005 0.00008 0.00031 3 37 8 0.00752 0.00046 -0.00003 0.00000 0.00011 1 38 1 -0.02128 -0.00051 -0.00002 -0.00008 -0.00023 2 38 1 -0.31063 -0.00886 0.00019 -0.00076 -0.00488 3 38 1 -0.27111 -0.00688 0.00003 -0.00007 -0.00144 1 39 6 0.00267 0.02841 -0.00014 -0.00037 0.00005 2 39 6 -0.00859 -0.04393 0.00021 -0.00255 0.00031 3 39 6 -0.00188 0.01646 -0.00009 0.00070 -0.00014 1 40 8 -0.00044 -0.02066 -0.00003 -0.01007 0.00106 2 40 8 0.00137 0.04206 -0.00016 -0.00165 0.00000 3 40 8 0.00079 -0.00742 -0.00002 0.00455 -0.00044 1 41 8 -0.00029 -0.00804 0.00003 0.00034 -0.00004 2 41 8 0.00186 -0.00036 0.00001 0.00034 -0.00002 3 41 8 0.00088 -0.01621 0.00005 -0.00042 0.00012 1 42 6 0.00200 -0.04877 -0.00028 -0.05110 0.00526 2 42 6 -0.00326 0.07477 -0.00035 -0.01581 0.00136 3 42 6 0.00157 -0.04335 0.00014 0.02268 -0.00229 1 43 1 -0.00914 0.34486 0.00033 -0.04725 0.00512 2 43 1 0.01939 -0.43208 0.00460 0.44802 -0.04324 3 43 1 -0.00054 0.07972 0.00133 0.09436 -0.00899 1 44 1 -0.00659 0.13179 0.00058 0.17615 -0.01859 2 44 1 0.01879 -0.46130 -0.00206 -0.44278 0.04626 3 44 1 -0.00182 0.18506 0.00028 -0.14597 0.01582 1 45 1 -0.01362 0.30745 0.00331 0.62821 -0.06503 2 45 1 0.01115 -0.26165 0.00231 0.22503 -0.02143 3 45 1 -0.02107 0.49231 -0.00351 -0.28406 0.02636 1 46 6 -0.00098 0.00015 0.00658 -0.00008 0.00007 2 46 6 0.00346 -0.00012 -0.00920 0.00012 -0.00001 3 46 6 0.01832 -0.00009 -0.01114 0.00010 0.00007 1 47 6 -0.00088 0.00004 0.00242 -0.00004 0.00003 2 47 6 0.00011 -0.00002 0.00211 0.00005 0.00001 3 47 6 0.00497 -0.00012 -0.00374 0.00012 0.00000 1 48 6 -0.00326 0.00003 -0.00021 -0.00004 0.00004 2 48 6 0.00172 0.00004 0.00022 -0.00003 0.00000 3 48 6 0.00198 0.00017 0.00109 -0.00006 0.00007 1 49 6 0.01744 0.00021 0.00048 0.00004 0.00005 2 49 6 0.00114 0.00000 -0.00032 0.00001 0.00000 3 49 6 -0.02512 -0.00063 0.00119 0.00014 -0.00009 1 50 6 0.01564 -0.00024 0.00126 0.00002 0.00000 2 50 6 0.02525 0.00026 0.00170 0.00006 0.00009 3 50 6 -0.00626 0.00024 0.00014 -0.00010 0.00003 1 51 1 -0.00823 -0.00014 -0.00655 -0.00019 -0.00011 2 51 1 -0.07217 0.00002 0.00552 0.00007 0.00001 3 51 1 -0.12053 -0.00016 0.00046 -0.00022 -0.00011 1 52 1 0.03459 0.00018 -0.00144 0.00020 0.00006 2 52 1 -0.01123 -0.00016 -0.00156 -0.00005 -0.00006 3 52 1 0.00302 -0.00034 -0.00855 0.00016 -0.00015 1 53 1 -0.01239 0.00025 -0.00140 -0.00041 -0.00003 2 53 1 0.12770 0.00171 -0.00034 -0.00003 0.00032 3 53 1 0.21260 0.00303 -0.00038 -0.00048 0.00046 1 54 1 -0.08402 0.00074 -0.00781 0.00023 0.00001 2 54 1 -0.07581 0.00034 -0.00972 0.00068 -0.00012 3 54 1 0.00893 -0.00125 -0.00064 0.00037 -0.00025 1 55 1 0.01603 -0.00035 -0.01492 0.00016 -0.00009 2 55 1 -0.00240 0.00008 0.00153 -0.00015 -0.00016 3 55 1 -0.01375 0.00034 0.01179 -0.00029 -0.00005 1 56 8 -0.00100 -0.00002 -0.00136 0.00003 -0.00004 2 56 8 0.00017 0.00001 0.00004 -0.00005 0.00001 3 56 8 -0.00278 0.00004 0.00203 -0.00002 0.00000 1 57 8 0.00008 -0.00001 -0.00063 0.00000 -0.00002 2 57 8 -0.00191 0.00003 0.00085 -0.00005 -0.00002 3 57 8 -0.00101 0.00002 0.00066 -0.00003 -0.00001 1 58 1 0.00817 -0.00016 -0.00717 0.00023 0.00016 2 58 1 0.01986 -0.00025 -0.01566 0.00054 0.00025 3 58 1 -0.00123 -0.00002 -0.00028 -0.00002 0.00005 1 59 8 -0.00206 -0.00005 -0.00014 0.00001 -0.00006 2 59 8 -0.00063 0.00000 -0.00013 -0.00001 0.00000 3 59 8 -0.00021 -0.00001 -0.00003 0.00000 0.00000 1 60 1 0.00714 0.00014 0.00020 0.00002 0.00045 2 60 1 -0.00030 -0.00001 -0.00115 0.00005 -0.00005 3 60 1 -0.00293 -0.00005 0.00008 -0.00003 -0.00015 1 61 8 -0.00821 -0.00007 -0.00021 -0.00001 -0.00003 2 61 8 -0.00979 -0.00011 0.00005 0.00000 -0.00002 3 61 8 0.01317 0.00028 -0.00034 -0.00007 0.00004 1 62 1 -0.03060 -0.00078 0.00051 0.00022 0.00002 2 62 1 -0.06820 -0.00085 -0.00042 0.00009 -0.00028 3 62 1 -0.15222 -0.00261 0.00028 0.00055 -0.00041 1 63 6 0.00027 -0.00031 -0.01139 0.00013 -0.00018 2 63 6 -0.00982 0.00016 0.02475 -0.00020 -0.00009 3 63 6 -0.00570 0.00025 0.03690 -0.00035 -0.00019 1 64 8 0.00131 -0.00015 -0.02813 0.00024 0.00021 2 64 8 0.00184 -0.00009 -0.00532 0.00006 -0.00001 3 64 8 0.00216 -0.00019 -0.02290 0.00021 0.00011 1 65 8 -0.00292 0.00021 0.01385 -0.00017 0.00005 2 65 8 0.00151 -0.00004 -0.00310 -0.00002 0.00000 3 65 8 0.00029 0.00002 -0.00069 0.00003 0.00002 1 66 6 -0.00207 -0.00011 -0.06714 0.00051 0.00074 2 66 6 -0.00015 0.00009 0.03521 -0.00021 -0.00027 3 66 6 -0.00265 0.00003 -0.00217 -0.00003 0.00020 1 67 1 0.00746 0.00135 0.62492 -0.00446 -0.00599 2 67 1 0.01367 0.00020 0.11356 -0.00063 -0.00194 3 67 1 0.01822 -0.00065 -0.27572 0.00222 0.00118 1 68 1 0.00495 0.00091 0.40935 -0.00332 -0.00370 2 68 1 0.00322 -0.00104 -0.51131 0.00322 0.00417 3 68 1 0.00252 0.00045 0.19022 -0.00173 -0.00175 1 69 1 0.01480 0.00046 0.08148 -0.00102 -0.00174 2 69 1 -0.01411 -0.00018 -0.11563 0.00046 0.00192 3 69 1 0.01430 0.00028 0.15649 -0.00057 -0.00220 1 70 19 -0.00010 -0.00002 0.00002 0.00011 0.00006 2 70 19 0.00022 0.00013 0.00002 0.00001 0.00002 3 70 19 -0.00029 0.00018 0.00001 0.00001 -0.00002 166 167 168 169 170 A A A A A Frequencies --- 1512.4154 1521.5334 1522.0718 1530.0613 1531.7228 Reduced masses --- 1.2633 1.1452 1.0460 1.0804 1.0583 Force constants --- 1.7026 1.5621 1.4277 1.4902 1.4629 IR Intensities --- 16.4096 51.5393 9.4732 10.8130 23.7043 Coord Atom Element: 1 1 6 -0.01236 0.00004 -0.00063 -0.00001 0.00458 2 1 6 0.02822 -0.00006 0.00129 0.00006 -0.00738 3 1 6 0.01233 -0.00001 0.00062 0.00003 -0.00015 1 2 6 0.00063 -0.00022 -0.00078 -0.00006 -0.00002 2 2 6 -0.00156 -0.00007 -0.00056 -0.00001 0.00025 3 2 6 -0.00155 0.00015 0.00026 0.00006 0.00057 1 3 6 -0.00260 -0.00003 -0.00142 -0.00003 0.00114 2 3 6 0.00146 0.00003 0.00137 0.00002 -0.00091 3 3 6 -0.00183 -0.00006 0.00040 -0.00002 0.00077 1 4 6 -0.00040 0.00000 0.00112 0.00001 -0.00077 2 4 6 0.00326 0.00000 -0.00067 0.00001 0.00018 3 4 6 0.00441 0.00006 -0.00121 0.00003 -0.00126 1 5 6 0.00615 -0.00006 0.00013 -0.00001 -0.00245 2 5 6 -0.00723 0.00001 -0.00006 -0.00002 0.00160 3 5 6 0.00387 -0.00010 -0.00041 -0.00004 -0.00110 1 6 1 0.00457 0.00034 0.00551 0.00014 -0.00252 2 6 1 -0.00017 -0.00004 -0.00722 -0.00005 0.00140 3 6 1 0.00560 0.00040 0.00040 0.00013 -0.00108 1 7 1 -0.02393 -0.00031 0.00381 -0.00014 0.00531 2 7 1 -0.02058 -0.00004 0.01108 -0.00001 0.00269 3 7 1 -0.03073 -0.00021 0.00803 -0.00010 0.00513 1 8 1 0.01218 0.00001 0.00130 0.00008 0.00244 2 8 1 -0.00521 0.00005 0.00077 0.00003 0.00472 3 8 1 0.01569 0.00024 0.00126 0.00011 -0.01947 1 9 1 0.00386 0.00056 0.00495 0.00021 -0.00186 2 9 1 0.00234 0.00012 0.00204 0.00006 -0.00184 3 9 1 0.01079 -0.00030 0.00131 -0.00012 -0.00503 1 10 8 0.00351 0.00003 0.00043 0.00002 -0.00148 2 10 8 -0.00405 -0.00004 -0.00052 -0.00003 0.00207 3 10 8 0.00007 -0.00005 -0.00016 -0.00002 -0.00015 1 11 8 0.00020 0.00017 0.00060 0.00006 0.00000 2 11 8 0.00015 0.00001 0.00015 -0.00003 -0.00001 3 11 8 0.00031 -0.00006 -0.00021 -0.00001 -0.00009 1 12 8 0.00152 0.00002 0.00032 0.00001 -0.00050 2 12 8 -0.00110 0.00000 -0.00036 -0.00002 0.00043 3 12 8 -0.00015 -0.00001 -0.00019 0.00000 -0.00001 1 13 1 -0.00571 -0.00006 -0.00193 -0.00006 0.00211 2 13 1 0.00960 0.00003 0.00202 0.00010 -0.00345 3 13 1 0.00956 0.00010 0.00275 0.00010 -0.00351 1 14 8 0.00043 0.00003 -0.00041 0.00000 0.00006 2 14 8 0.00021 0.00000 -0.00030 0.00000 0.00000 3 14 8 -0.00301 0.00000 0.00045 -0.00001 0.00073 1 15 1 0.01771 -0.00001 -0.00392 0.00005 -0.00342 2 15 1 0.00069 0.00006 0.00029 0.00003 -0.00164 3 15 1 0.01540 -0.00001 -0.00282 0.00006 -0.00392 1 16 6 0.01157 -0.00015 0.00105 -0.00014 -0.00630 2 16 6 -0.06060 0.00034 -0.00155 -0.00003 0.01302 3 16 6 -0.05886 0.00037 -0.00168 -0.00002 0.01402 1 17 8 -0.05747 0.00028 -0.00139 0.00001 0.01874 2 17 8 0.01401 -0.00010 0.00031 0.00001 -0.01370 3 17 8 0.03013 -0.00020 0.00079 0.00000 -0.01101 1 18 8 0.01884 -0.00006 0.00003 0.00007 -0.00290 2 18 8 0.00998 -0.00006 0.00017 0.00001 -0.00163 3 18 8 0.00719 -0.00006 0.00014 0.00002 -0.00138 1 19 6 -0.07812 0.00022 -0.00158 0.00011 0.02539 2 19 6 -0.04271 0.00026 -0.00143 0.00007 -0.04908 3 19 6 0.00562 -0.00011 0.00020 0.00001 -0.01057 1 20 1 0.36357 -0.00057 0.00559 -0.00032 -0.31722 2 20 1 0.31208 -0.00083 0.00898 -0.00070 0.31779 3 20 1 -0.08262 -0.00018 0.00180 -0.00021 0.49962 1 21 1 0.59910 -0.00247 0.01627 -0.00089 0.28401 2 21 1 -0.03763 -0.00002 -0.00088 0.00012 -0.03617 3 21 1 -0.14670 0.00204 -0.00562 -0.00016 -0.02585 1 22 1 0.45312 -0.00152 0.00745 -0.00013 -0.44944 2 22 1 0.37881 -0.00306 0.01371 -0.00038 0.42330 3 22 1 0.08442 0.00014 -0.00041 0.00003 -0.28272 1 23 6 -0.00027 -0.00009 -0.00040 0.00021 -0.00002 2 23 6 -0.00007 -0.00018 0.00021 -0.00001 0.00003 3 23 6 -0.00028 -0.00006 -0.00095 0.00014 0.00001 1 24 6 -0.00026 -0.00058 0.00112 -0.00227 0.00007 2 24 6 0.00006 0.00028 -0.00048 -0.00052 0.00002 3 24 6 -0.00013 -0.00006 0.00037 0.00058 0.00000 1 25 6 0.00043 -0.00033 -0.00062 0.00043 0.00035 2 25 6 0.00016 -0.00004 -0.00010 0.00022 -0.00004 3 25 6 0.00017 0.00031 -0.00012 -0.00014 -0.00003 1 26 6 -0.00080 -0.00001 0.00084 -0.00014 -0.00076 2 26 6 -0.00029 0.00021 0.00006 0.00019 0.00001 3 26 6 -0.00042 0.00015 0.00023 0.00017 0.00014 1 27 6 -0.00046 -0.00011 -0.00103 -0.00002 0.00025 2 27 6 0.00004 0.00000 -0.00050 -0.00001 0.00003 3 27 6 0.00014 0.00003 0.00067 -0.00007 -0.00010 1 28 1 0.00124 -0.00004 0.00200 -0.00117 -0.00013 2 28 1 0.00083 -0.00009 0.00078 -0.00058 -0.00015 3 28 1 0.00049 -0.00004 0.00086 -0.00072 0.00004 1 29 1 0.00052 0.00020 0.00094 -0.00075 -0.00024 2 29 1 -0.00054 -0.00071 0.00173 -0.00066 0.00024 3 29 1 -0.00015 -0.00015 -0.00014 0.00004 0.00039 1 30 1 0.00052 0.00084 -0.00260 0.00046 0.00123 2 30 1 -0.00060 -0.00032 0.00021 -0.00021 -0.00098 3 30 1 0.00054 -0.00048 -0.00254 -0.00051 -0.00061 1 31 1 0.00175 0.00006 0.00349 -0.00035 -0.00075 2 31 1 -0.00021 0.00036 0.00107 -0.00001 -0.00009 3 31 1 0.00027 -0.00051 -0.00220 -0.00002 0.00014 1 32 1 0.00227 -0.00451 -0.00563 0.00949 -0.00003 2 32 1 -0.00102 -0.00252 0.00315 0.00070 0.00005 3 32 1 0.00033 0.00211 -0.00129 -0.00088 0.00000 1 33 8 0.00013 0.00022 -0.00022 0.00017 -0.00003 2 33 8 -0.00001 0.00000 0.00017 -0.00006 0.00000 3 33 8 0.00006 0.00012 -0.00005 -0.00015 -0.00001 1 34 8 0.00001 0.00101 -0.00022 0.00059 -0.00006 2 34 8 0.00004 0.00028 -0.00011 0.00089 -0.00004 3 34 8 0.00008 -0.00065 -0.00005 0.00013 0.00003 1 35 8 -0.00011 0.00015 0.00009 0.00002 -0.00008 2 35 8 -0.00004 0.00008 0.00008 -0.00004 -0.00001 3 35 8 0.00000 0.00000 0.00001 -0.00002 -0.00003 1 36 1 0.00002 0.00005 -0.00007 0.00007 -0.00001 2 36 1 0.00067 -0.00161 -0.00070 -0.00117 0.00045 3 36 1 0.00084 -0.00109 -0.00082 0.00003 0.00056 1 37 8 0.00030 0.00002 -0.00019 0.00003 0.00028 2 37 8 0.00055 -0.00009 -0.00008 -0.00005 0.00029 3 37 8 0.00043 -0.00012 -0.00015 -0.00005 0.00013 1 38 1 -0.00081 0.00023 0.00034 0.00003 -0.00030 2 38 1 -0.00649 0.00056 0.00194 0.00007 -0.00458 3 38 1 -0.00547 0.00058 0.00145 -0.00007 -0.00326 1 39 6 0.00012 -0.00013 -0.00020 -0.00013 0.00006 2 39 6 -0.00008 0.00036 -0.00305 0.00024 -0.00003 3 39 6 0.00042 0.00010 -0.00290 -0.00004 -0.00001 1 40 8 0.00000 0.00014 -0.00306 0.00004 0.00001 2 40 8 0.00047 -0.00002 -0.00841 -0.00013 0.00004 3 40 8 0.00045 0.00024 -0.01428 0.00000 0.00014 1 41 8 -0.00005 0.00001 0.00095 0.00002 -0.00002 2 41 8 -0.00018 -0.00013 0.00432 -0.00004 -0.00002 3 41 8 -0.00042 -0.00012 0.00597 0.00000 -0.00002 1 42 6 -0.00019 0.00025 -0.01577 -0.00005 0.00014 2 42 6 0.00104 0.00046 -0.02408 0.00000 0.00014 3 42 6 0.00119 0.00077 -0.04611 0.00007 0.00043 1 43 1 -0.01389 -0.00921 0.53158 -0.00069 -0.00461 2 43 1 -0.00756 -0.00450 0.26262 0.00037 -0.00135 3 43 1 -0.00836 -0.00555 0.32078 -0.00024 -0.00260 1 44 1 0.00580 0.00239 -0.14280 0.00034 0.00118 2 44 1 -0.00524 0.00006 0.00101 -0.00045 0.00013 3 44 1 -0.01875 -0.01112 0.64646 -0.00090 -0.00549 1 45 1 0.01024 0.00262 -0.16207 0.00090 0.00140 2 45 1 -0.00382 -0.00199 0.12095 0.00021 -0.00044 3 45 1 0.00849 0.00420 -0.24830 -0.00018 0.00121 1 46 6 0.00002 0.00365 0.00017 0.00359 0.00006 2 46 6 -0.00004 -0.00958 -0.00021 -0.00475 -0.00005 3 46 6 -0.00008 -0.02017 -0.00039 -0.00574 -0.00004 1 47 6 0.00004 0.00259 0.00006 -0.00197 0.00003 2 47 6 -0.00006 -0.00113 0.00002 -0.00259 0.00002 3 47 6 -0.00012 -0.00640 -0.00011 -0.00136 -0.00001 1 48 6 -0.00002 -0.00079 -0.00004 -0.00058 0.00002 2 48 6 0.00001 0.00049 -0.00001 0.00070 0.00000 3 48 6 0.00001 0.00045 0.00003 -0.00047 0.00002 1 49 6 0.00006 0.00041 0.00002 0.00073 0.00002 2 49 6 0.00001 0.00036 0.00002 -0.00003 0.00000 3 49 6 -0.00010 0.00117 0.00001 0.00069 -0.00002 1 50 6 -0.00004 -0.00178 -0.00006 0.00155 0.00001 2 50 6 0.00000 -0.00229 0.00010 0.00156 0.00005 3 50 6 0.00001 0.00256 0.00005 -0.00168 0.00001 1 51 1 -0.00005 -0.00240 -0.00050 -0.01871 -0.00008 2 51 1 0.00015 0.03659 0.00094 -0.00339 0.00008 3 51 1 0.00021 0.05294 0.00076 -0.02433 0.00001 1 52 1 0.00010 0.00150 0.00033 0.00408 0.00002 2 52 1 -0.00002 -0.00096 -0.00014 0.00035 -0.00002 3 52 1 0.00003 -0.00154 -0.00002 0.00497 -0.00009 1 53 1 0.00007 0.00075 -0.00040 -0.00405 -0.00004 2 53 1 0.00025 -0.00537 0.00004 0.00227 0.00011 3 53 1 0.00044 -0.01004 -0.00050 0.00105 0.00013 1 54 1 -0.00009 0.00639 0.00094 -0.00742 0.00000 2 54 1 -0.00007 0.00665 0.00067 -0.00553 -0.00003 3 54 1 -0.00003 0.00217 -0.00073 0.00202 -0.00008 1 55 1 -0.00018 -0.01745 -0.00046 0.00130 -0.00010 2 55 1 0.00021 0.00639 0.00006 0.01004 -0.00007 3 55 1 0.00037 0.02029 0.00041 0.00925 0.00002 1 56 8 0.00000 0.00049 0.00000 0.00030 -0.00002 2 56 8 0.00001 -0.00031 -0.00004 -0.00036 0.00000 3 56 8 0.00005 0.00463 0.00011 0.00134 0.00001 1 57 8 0.00000 -0.00064 -0.00002 0.00023 -0.00001 2 57 8 0.00003 0.00053 -0.00003 0.00019 -0.00002 3 57 8 0.00003 0.00086 0.00001 -0.00004 0.00000 1 58 1 -0.00017 -0.00299 0.00007 0.00219 0.00008 2 58 1 -0.00026 -0.00610 0.00025 0.00735 0.00013 3 58 1 0.00000 0.00126 0.00001 0.00007 0.00003 1 59 8 0.00000 -0.00007 -0.00002 -0.00001 -0.00003 2 59 8 0.00000 0.00011 -0.00001 0.00002 0.00000 3 59 8 0.00001 0.00037 0.00001 0.00006 0.00000 1 60 1 -0.00009 0.00039 0.00014 0.00149 0.00021 2 60 1 0.00000 -0.00012 0.00008 0.00036 -0.00001 3 60 1 0.00005 0.00040 -0.00006 -0.00047 -0.00007 1 61 8 -0.00001 0.00013 0.00002 -0.00014 -0.00001 2 61 8 -0.00002 0.00039 0.00001 -0.00006 0.00000 3 61 8 0.00008 -0.00002 -0.00002 0.00019 0.00001 1 62 1 -0.00022 0.00017 0.00017 -0.00061 0.00003 2 62 1 -0.00019 0.00097 0.00004 -0.00119 -0.00011 3 62 1 -0.00069 0.00098 0.00039 -0.00305 -0.00012 1 63 6 -0.00018 -0.00850 -0.00047 -0.00925 -0.00016 2 63 6 0.00007 0.03287 0.00066 0.01531 0.00012 3 63 6 0.00006 0.04950 0.00084 0.02708 0.00014 1 64 8 -0.00008 -0.02954 -0.00047 -0.01806 -0.00006 2 64 8 -0.00010 -0.02380 -0.00045 -0.01574 -0.00007 3 64 8 -0.00012 -0.04397 -0.00076 -0.01211 -0.00011 1 65 8 0.00012 0.01406 0.00042 0.00950 0.00011 2 65 8 0.00000 -0.00347 -0.00011 -0.00169 -0.00003 3 65 8 0.00004 -0.00162 0.00000 -0.00105 0.00001 1 66 6 0.00003 -0.02728 -0.00022 -0.04287 0.00003 2 66 6 -0.00020 -0.01782 -0.00038 -0.04083 -0.00004 3 66 6 -0.00017 -0.04827 -0.00067 0.02887 0.00000 1 67 1 -0.00117 0.09654 -0.00017 -0.00144 -0.00025 2 67 1 0.00103 0.34359 0.00482 -0.13718 0.00016 3 67 1 0.00280 0.54187 0.00882 -0.21065 0.00052 1 68 1 -0.00081 -0.02870 -0.00129 0.36072 -0.00013 2 68 1 0.00294 0.29430 0.00624 0.42797 0.00072 3 68 1 -0.00010 0.02008 0.00005 0.33739 0.00004 1 69 1 0.00263 0.56681 0.00895 0.37394 0.00070 2 69 1 -0.00064 -0.29319 -0.00385 0.33443 -0.00002 3 69 1 0.00024 0.25925 0.00313 -0.50025 -0.00006 1 70 19 -0.00003 -0.00009 0.00001 0.00001 0.00006 2 70 19 -0.00004 0.00001 -0.00003 0.00003 0.00002 3 70 19 -0.00005 0.00003 0.00016 0.00001 -0.00002 171 172 173 174 175 A A A A A Frequencies --- 1703.9916 1769.3659 1776.9932 1851.9018 2963.8891 Reduced masses --- 8.4341 12.0610 12.0596 11.6525 1.0824 Force constants --- 14.4286 22.2468 22.4365 23.5454 5.6020 IR Intensities --- 94.4334 868.4817 113.9683 184.7710 46.5101 Coord Atom Element: 1 1 6 0.34745 -0.02771 -0.05558 0.00007 0.00006 2 1 6 -0.10762 -0.01095 -0.02635 -0.00174 -0.00028 3 1 6 0.45367 -0.03724 -0.07492 -0.00108 -0.00009 1 2 6 0.00724 0.00023 0.00344 0.00109 -0.00150 2 2 6 -0.00843 0.00277 0.00795 0.00076 0.00149 3 2 6 0.03348 -0.00426 -0.00942 -0.00024 0.00108 1 3 6 -0.01536 0.00137 0.00243 -0.00033 -0.05426 2 3 6 0.00227 -0.00161 -0.00293 0.00132 -0.04504 3 3 6 -0.01987 0.00116 0.00261 0.00272 0.04205 1 4 6 0.02687 0.00060 0.00303 0.00007 0.00137 2 4 6 -0.01497 0.00128 0.00322 -0.00110 0.00239 3 4 6 0.05933 -0.00468 -0.00811 0.00110 -0.00408 1 5 6 -0.27731 0.01189 0.02121 -0.00004 0.00062 2 5 6 0.06011 -0.00258 -0.00571 -0.00003 -0.00056 3 5 6 -0.47903 0.02258 0.04156 -0.00036 0.00024 1 6 1 0.03157 -0.00227 -0.00609 -0.00445 0.65337 2 6 1 -0.00304 -0.00019 0.00016 -0.00436 0.51824 3 6 1 0.02524 -0.00251 -0.00880 -0.00442 -0.54001 1 7 1 0.00078 0.00624 0.01432 -0.00747 -0.04353 2 7 1 0.15263 -0.00445 -0.01079 0.01315 -0.02890 3 7 1 0.12313 -0.00344 -0.00812 0.00257 0.04748 1 8 1 0.00356 -0.01149 -0.02298 -0.00003 -0.00237 2 8 1 0.28320 -0.02063 -0.04008 0.00060 0.00313 3 8 1 0.42050 -0.02476 -0.04817 -0.00208 -0.00198 1 9 1 0.02539 -0.00970 -0.02288 -0.00236 0.00966 2 9 1 -0.04206 0.00453 0.01033 0.00038 -0.02993 3 9 1 -0.13457 0.01702 0.03564 0.00286 0.00516 1 10 8 -0.04856 0.00086 -0.00007 -0.00077 0.00003 2 10 8 0.04382 0.00118 0.00345 0.00038 0.00024 3 10 8 -0.03331 0.00533 0.01118 -0.00017 -0.00045 1 11 8 0.00499 -0.00143 -0.00474 -0.00369 0.00044 2 11 8 0.00176 -0.00023 -0.00205 -0.00024 0.00040 3 11 8 -0.00579 0.00032 0.00113 -0.00130 -0.00018 1 12 8 0.00264 -0.00084 -0.00169 0.00067 -0.00039 2 12 8 -0.00301 0.00111 0.00162 -0.00020 0.00160 3 12 8 -0.00019 0.00059 0.00096 -0.00181 0.00165 1 13 1 -0.00938 0.00383 0.00631 -0.00668 0.00334 2 13 1 0.00391 -0.00653 -0.00904 -0.00256 0.00178 3 13 1 0.01091 -0.00522 -0.00945 0.00677 0.00587 1 14 8 0.00066 0.00016 -0.00057 0.00005 0.00056 2 14 8 0.00718 0.00003 0.00012 0.00005 0.00022 3 14 8 0.01293 0.00115 0.00181 -0.00062 0.00001 1 15 1 -0.03349 -0.00610 -0.00926 0.00199 0.00792 2 15 1 -0.02118 -0.00169 -0.00403 0.00124 -0.00268 3 15 1 -0.03559 -0.00713 -0.01072 0.00227 0.00014 1 16 6 0.06465 0.30760 0.70307 0.01908 -0.00015 2 16 6 -0.00662 0.07797 0.17398 0.00467 -0.00001 3 16 6 -0.04561 0.05015 0.10977 0.00277 0.00005 1 17 8 -0.00948 -0.02223 -0.05474 -0.00204 0.00006 2 17 8 0.00352 -0.00327 -0.00571 -0.00002 0.00000 3 17 8 0.01239 0.00138 0.00576 0.00043 -0.00003 1 18 8 -0.06510 -0.19162 -0.43783 -0.01196 0.00007 2 18 8 -0.02106 -0.05123 -0.11737 -0.00336 0.00001 3 18 8 -0.01327 -0.03328 -0.07465 -0.00181 0.00000 1 19 6 -0.00495 -0.01607 -0.03315 -0.00023 -0.00004 2 19 6 0.00020 0.00044 0.00183 0.00023 -0.00003 3 19 6 -0.00391 0.00541 0.01201 0.00020 0.00000 1 20 1 0.03922 0.03583 0.07640 0.00105 0.00003 2 20 1 0.03736 0.03790 0.07811 0.00108 0.00003 3 20 1 -0.00931 -0.01498 -0.03367 -0.00032 0.00010 1 21 1 0.02315 0.06730 0.14251 0.00187 0.00002 2 21 1 -0.00956 -0.00485 -0.00906 0.00014 -0.00035 3 21 1 0.04593 -0.00416 -0.01170 0.00025 -0.00021 1 22 1 0.01882 0.02445 0.05381 0.00049 0.00000 2 22 1 -0.02591 0.02574 0.05617 0.00057 0.00014 3 22 1 0.01460 0.01991 0.04329 0.00068 0.00003 1 23 6 -0.00026 -0.00294 0.00410 -0.03086 0.00005 2 23 6 -0.00029 -0.00032 0.00066 0.01273 0.00003 3 23 6 0.00011 -0.00275 0.00466 -0.04983 0.00000 1 24 6 -0.00084 0.01361 -0.00746 -0.00118 0.00006 2 24 6 -0.00025 0.00386 -0.00094 -0.00159 -0.00002 3 24 6 0.00016 -0.00885 0.00463 0.00142 0.00001 1 25 6 -0.00052 -0.00412 -0.00114 0.00110 -0.00003 2 25 6 0.00007 -0.00235 -0.00024 0.00057 0.00003 3 25 6 0.00034 0.00353 -0.00269 -0.00080 -0.00012 1 26 6 -0.00027 0.00372 0.00710 -0.00355 -0.00010 2 26 6 0.00106 0.00015 0.00400 -0.00364 -0.00016 3 26 6 0.00148 -0.00005 0.00459 -0.00034 0.00013 1 27 6 -0.00402 0.00082 0.00212 0.01443 0.00014 2 27 6 0.00024 -0.00001 -0.00153 0.00693 -0.00011 3 27 6 0.00006 0.00085 -0.00035 -0.00377 -0.00008 1 28 1 0.00116 0.01287 -0.01529 0.10576 -0.00020 2 28 1 0.00447 0.00438 -0.00498 -0.05805 0.00002 3 28 1 -0.00188 0.00774 -0.00903 0.16557 0.00021 1 29 1 0.00135 0.00419 -0.00690 -0.00297 0.00040 2 29 1 0.00028 0.00266 -0.00036 -0.00110 -0.00040 3 29 1 -0.00057 0.00353 -0.00091 -0.00081 0.00120 1 30 1 -0.00092 0.00123 0.00087 0.01154 0.00061 2 30 1 -0.00203 0.00197 0.00664 -0.00039 0.00191 3 30 1 -0.00715 0.00236 -0.01113 0.02187 -0.00073 1 31 1 0.00350 0.00251 -0.00548 -0.01773 0.00028 2 31 1 -0.00006 0.00277 0.00306 -0.00693 0.00085 3 31 1 -0.00061 -0.00342 -0.00480 0.03192 0.00069 1 32 1 -0.00054 -0.03274 0.00769 0.00925 -0.00006 2 32 1 -0.00101 -0.07353 0.03436 -0.00214 0.00014 3 32 1 0.00096 0.03949 -0.01627 0.00049 0.00010 1 33 8 0.00049 -0.00084 0.00041 -0.00732 -0.00005 2 33 8 0.00026 0.00090 -0.00146 0.00073 -0.00001 3 33 8 -0.00001 0.00060 -0.00114 -0.01083 -0.00004 1 34 8 0.00061 -0.00932 0.00506 0.00178 -0.00003 2 34 8 0.00036 -0.00464 0.00194 0.00061 -0.00001 3 34 8 -0.00034 0.00267 -0.00198 -0.00039 0.00001 1 35 8 0.00035 0.00101 0.00056 -0.00015 0.00000 2 35 8 -0.00011 0.00208 -0.00127 -0.00105 0.00001 3 35 8 -0.00020 0.00052 -0.00066 0.00037 -0.00001 1 36 1 0.00050 -0.00172 0.00149 0.00148 -0.00008 2 36 1 -0.00054 -0.00428 0.00032 0.00517 -0.00006 3 36 1 -0.00049 -0.00681 -0.00100 0.00447 0.00000 1 37 8 -0.00041 -0.00170 -0.00305 0.00032 -0.00006 2 37 8 -0.00033 -0.00249 -0.00887 -0.00029 -0.00002 3 37 8 0.00017 -0.00208 -0.00570 0.00023 -0.00003 1 38 1 0.00212 0.00621 0.00982 -0.00200 0.00080 2 38 1 0.01023 0.05676 0.13406 0.00380 0.00013 3 38 1 -0.01844 0.03997 0.08593 0.00057 0.00011 1 39 6 0.00025 0.00344 -0.00987 0.27230 0.00006 2 39 6 -0.00267 0.00081 -0.00201 0.15638 0.00011 3 39 6 -0.00141 0.00726 -0.02303 0.71395 0.00012 1 40 8 -0.00065 0.00010 0.00026 -0.01063 0.00001 2 40 8 0.00130 0.00013 -0.00042 -0.01984 -0.00006 3 40 8 0.00012 0.00000 -0.00014 -0.04300 -0.00002 1 41 8 0.00015 -0.00189 0.00557 -0.17420 -0.00005 2 41 8 0.00069 -0.00121 0.00349 -0.11587 -0.00004 3 41 8 0.00097 -0.00450 0.01497 -0.46199 -0.00005 1 42 6 0.00042 0.00014 0.00067 0.01454 -0.00002 2 42 6 -0.00042 0.00030 -0.00027 -0.01437 -0.00003 3 42 6 0.00072 -0.00007 0.00035 0.02147 -0.00002 1 43 1 -0.00433 -0.00024 -0.00401 -0.06112 0.00012 2 43 1 0.00060 0.00047 -0.00717 0.12409 0.00003 3 43 1 -0.00194 -0.00026 -0.00356 0.02743 -0.00019 1 44 1 0.00190 -0.00087 0.00285 -0.01771 0.00016 2 44 1 -0.00067 0.00199 -0.00180 0.12866 0.00016 3 44 1 -0.00491 0.00093 -0.00581 0.00479 0.00010 1 45 1 0.00287 -0.00395 0.00395 -0.10703 -0.00010 2 45 1 -0.00018 0.00128 -0.00601 0.09852 0.00047 3 45 1 -0.00028 -0.00171 0.00945 -0.15324 0.00032 1 46 6 -0.00055 -0.05554 0.02358 0.00086 0.00000 2 46 6 0.00019 0.00501 -0.00159 0.00028 -0.00001 3 46 6 0.00003 0.00438 -0.00175 -0.00028 0.00001 1 47 6 -0.00022 -0.00143 -0.00022 -0.00064 0.00000 2 47 6 -0.00013 0.00183 -0.00081 -0.00003 0.00001 3 47 6 0.00006 0.00360 -0.00086 0.00042 -0.00001 1 48 6 -0.00011 0.00085 -0.00065 -0.00034 0.00000 2 48 6 0.00004 0.00033 0.00000 0.00010 -0.00002 3 48 6 0.00000 0.00203 -0.00095 -0.00019 0.00000 1 49 6 -0.00019 -0.00933 0.00372 0.00008 0.00000 2 49 6 0.00004 0.00043 -0.00021 0.00012 -0.00001 3 49 6 0.00009 -0.00050 0.00082 0.00120 0.00001 1 50 6 -0.00015 0.02379 -0.01038 -0.00136 0.00002 2 50 6 -0.00056 0.00370 -0.00199 -0.00113 0.00002 3 50 6 0.00009 -0.00313 0.00152 0.00008 0.00000 1 51 1 0.00027 -0.02902 0.01391 0.00153 0.00004 2 51 1 0.00055 0.07342 -0.03279 -0.00103 0.00006 3 51 1 0.00138 0.09386 -0.04127 -0.00046 -0.00005 1 52 1 -0.00033 0.00123 -0.00082 -0.00081 0.00011 2 52 1 0.00003 -0.00050 0.00033 0.00008 0.00027 3 52 1 0.00023 -0.00590 0.00292 0.00062 -0.00008 1 53 1 0.00056 0.00084 -0.00022 0.00058 0.00004 2 53 1 -0.00082 -0.00198 -0.00038 -0.00225 0.00012 3 53 1 -0.00062 0.00310 -0.00242 -0.00236 -0.00005 1 54 1 0.00048 0.01409 -0.00650 -0.00094 0.00000 2 54 1 0.00011 -0.03360 0.01541 0.00185 0.00001 3 54 1 0.00037 -0.00458 0.00392 0.00373 -0.00001 1 55 1 0.00035 0.00840 -0.00236 0.00057 0.00011 2 55 1 0.00029 -0.00676 0.00319 0.00031 -0.00014 3 55 1 -0.00014 -0.01611 0.00551 -0.00067 0.00012 1 56 8 0.00011 -0.00665 0.00356 0.00065 -0.00001 2 56 8 0.00002 0.00352 -0.00186 -0.00027 0.00000 3 56 8 -0.00001 0.00277 -0.00153 -0.00020 0.00000 1 57 8 0.00010 0.00104 -0.00020 0.00017 0.00000 2 57 8 0.00011 -0.00070 0.00039 0.00010 0.00000 3 57 8 0.00002 -0.00107 0.00041 -0.00002 0.00000 1 58 1 -0.00047 0.00668 -0.00317 -0.00009 0.00003 2 58 1 -0.00075 0.00172 -0.00107 -0.00024 0.00003 3 58 1 -0.00024 -0.00080 -0.00030 -0.00040 0.00003 1 59 8 0.00019 0.00009 0.00039 0.00043 -0.00001 2 59 8 0.00000 -0.00063 0.00017 -0.00005 0.00000 3 59 8 -0.00004 -0.00090 0.00025 -0.00010 0.00000 1 60 1 -0.00118 0.00044 -0.00264 -0.00184 0.00005 2 60 1 0.00006 -0.00011 0.00059 0.00016 -0.00002 3 60 1 0.00035 -0.00180 0.00120 0.00015 -0.00001 1 61 8 0.00007 0.00097 -0.00028 -0.00011 0.00000 2 61 8 -0.00002 -0.00100 0.00032 -0.00022 0.00000 3 61 8 -0.00008 -0.00331 0.00096 -0.00085 -0.00001 1 62 1 -0.00025 0.00434 -0.00205 0.00076 0.00003 2 62 1 0.00103 0.00058 0.00226 0.00469 -0.00010 3 62 1 0.00112 0.01169 -0.00082 0.00891 0.00004 1 63 6 0.00485 0.72943 -0.31967 -0.01725 0.00003 2 63 6 -0.00078 -0.05529 0.02336 0.00063 0.00001 3 63 6 0.00005 0.09473 -0.04265 -0.00329 0.00003 1 64 8 -0.00008 -0.04971 0.02287 0.00180 -0.00001 2 64 8 0.00023 -0.00271 0.00185 0.00051 -0.00001 3 64 8 0.00032 -0.01232 0.00656 0.00112 -0.00001 1 65 8 -0.00304 -0.45525 0.19994 0.01082 -0.00002 2 65 8 0.00046 0.04405 -0.01922 -0.00089 -0.00001 3 65 8 -0.00036 -0.05645 0.02437 0.00143 -0.00001 1 66 6 -0.00045 -0.02819 0.01085 -0.00006 0.00000 2 66 6 -0.00012 -0.01273 0.00528 0.00016 0.00000 3 66 6 -0.00022 -0.01978 0.00817 0.00024 0.00000 1 67 1 0.00137 0.11290 -0.04603 -0.00113 0.00001 2 67 1 0.00050 0.05812 -0.02361 -0.00058 -0.00006 3 67 1 -0.00034 0.00347 -0.00169 -0.00036 0.00004 1 68 1 0.00145 0.12086 -0.04936 -0.00133 0.00001 2 68 1 -0.00027 0.01847 -0.00782 -0.00042 0.00001 3 68 1 0.00096 0.08127 -0.03262 -0.00065 -0.00004 1 69 1 0.00048 0.08107 -0.03323 -0.00102 0.00000 2 69 1 -0.00035 -0.03283 0.01355 0.00040 0.00009 3 69 1 -0.00033 -0.03017 0.01264 0.00032 0.00007 1 70 19 0.00005 -0.00139 -0.00077 -0.00017 0.00000 2 70 19 -0.00023 -0.00043 0.00020 -0.00012 0.00000 3 70 19 -0.00001 0.00033 0.00076 -0.00093 0.00001 176 177 178 179 180 A A A A A Frequencies --- 2994.3080 3031.0687 3050.3391 3062.1645 3067.4703 Reduced masses --- 1.0792 1.0838 1.0853 1.0873 1.0837 Force constants --- 5.7009 5.8668 5.9496 6.0069 6.0078 IR Intensities --- 11.7282 32.3206 20.0760 25.4996 10.3229 Coord Atom Element: 1 1 6 0.00001 0.00001 0.00006 0.00009 0.00058 2 1 6 -0.00001 -0.00002 -0.00007 -0.00012 -0.00012 3 1 6 0.00000 0.00000 0.00001 0.00000 0.00073 1 2 6 0.00000 0.00002 -0.00124 -0.00272 0.00058 2 2 6 0.00001 0.00002 0.00269 0.00569 0.00005 3 2 6 -0.00001 -0.00002 -0.00088 -0.00162 -0.00008 1 3 6 0.00001 0.00002 0.00019 0.00028 0.00403 2 3 6 0.00000 0.00002 0.00027 0.00045 0.00310 3 3 6 0.00000 -0.00001 -0.00009 -0.00014 -0.00409 1 4 6 0.00000 0.00000 0.00008 0.00103 0.04682 2 4 6 0.00000 -0.00001 -0.00002 0.00070 0.03807 3 4 6 0.00000 0.00001 -0.00006 -0.00118 -0.05661 1 5 6 0.00000 -0.00001 -0.00003 -0.00004 -0.00014 2 5 6 0.00000 0.00000 0.00004 0.00003 -0.00127 3 5 6 0.00000 0.00000 -0.00002 -0.00005 -0.00128 1 6 1 -0.00006 -0.00022 -0.00227 -0.00323 -0.04304 2 6 1 -0.00004 -0.00016 -0.00178 -0.00278 -0.03881 3 6 1 0.00004 0.00016 0.00165 0.00248 0.03681 1 7 1 0.00000 0.00011 -0.00058 -0.01209 -0.56941 2 7 1 -0.00001 0.00006 -0.00046 -0.00935 -0.44642 3 7 1 0.00001 -0.00011 0.00080 0.01440 0.68089 1 8 1 0.00000 0.00001 0.00012 0.00002 -0.00689 2 8 1 -0.00001 -0.00001 -0.00024 -0.00016 0.01009 3 8 1 0.00000 0.00000 0.00002 -0.00001 -0.00122 1 9 1 0.00003 0.00008 0.01335 0.02796 -0.00335 2 9 1 -0.00008 -0.00019 -0.03327 -0.07019 0.00588 3 9 1 0.00003 0.00006 0.00873 0.01829 -0.00203 1 10 8 0.00000 -0.00001 0.00002 0.00004 -0.00016 2 10 8 0.00001 0.00001 0.00007 0.00009 0.00001 3 10 8 0.00000 0.00001 0.00009 0.00010 -0.00001 1 11 8 -0.00001 -0.00003 0.00001 0.00023 0.00001 2 11 8 0.00000 0.00000 0.00006 0.00008 -0.00019 3 11 8 0.00000 0.00000 0.00007 -0.00004 0.00020 1 12 8 0.00000 0.00000 0.00001 0.00001 -0.00016 2 12 8 0.00000 0.00000 -0.00001 -0.00002 -0.00023 3 12 8 0.00000 0.00000 -0.00001 -0.00003 0.00034 1 13 1 0.00000 -0.00003 -0.00008 -0.00004 0.00028 2 13 1 -0.00001 0.00000 -0.00005 -0.00012 0.00203 3 13 1 0.00000 -0.00002 -0.00009 -0.00010 -0.00130 1 14 8 0.00000 0.00000 -0.00002 -0.00001 0.00021 2 14 8 0.00000 0.00000 0.00002 0.00001 -0.00057 3 14 8 0.00000 0.00000 -0.00001 0.00002 0.00161 1 15 1 0.00000 0.00000 -0.00002 0.00008 0.00480 2 15 1 -0.00001 -0.00002 -0.00009 0.00008 0.00820 3 15 1 0.00000 0.00003 0.00007 -0.00026 -0.01565 1 16 6 -0.00002 0.00001 -0.00013 -0.00020 0.00024 2 16 6 -0.00001 -0.00001 -0.00004 -0.00003 0.00007 3 16 6 0.00000 -0.00001 -0.00005 -0.00003 -0.00028 1 17 8 0.00000 -0.00001 0.00002 0.00005 -0.00004 2 17 8 0.00000 0.00000 0.00001 0.00000 -0.00002 3 17 8 0.00000 0.00001 0.00000 -0.00001 0.00002 1 18 8 0.00001 -0.00001 0.00008 0.00013 -0.00003 2 18 8 0.00001 0.00000 0.00001 0.00001 -0.00001 3 18 8 0.00000 0.00000 0.00003 0.00001 0.00007 1 19 6 0.00000 0.00000 0.00003 0.00007 -0.00015 2 19 6 0.00000 0.00000 0.00001 0.00003 0.00001 3 19 6 0.00000 0.00000 0.00003 0.00003 -0.00008 1 20 1 -0.00002 0.00005 -0.00032 -0.00068 0.00137 2 20 1 0.00002 -0.00006 0.00031 0.00070 -0.00126 3 20 1 -0.00003 0.00006 -0.00044 -0.00093 0.00196 1 21 1 0.00000 0.00000 0.00000 -0.00001 0.00010 2 21 1 -0.00007 0.00004 -0.00051 -0.00135 0.00160 3 21 1 -0.00001 0.00000 -0.00011 -0.00021 0.00033 1 22 1 -0.00001 0.00003 -0.00003 -0.00023 0.00031 2 22 1 0.00000 -0.00002 0.00005 0.00020 -0.00025 3 22 1 0.00003 -0.00008 0.00015 0.00080 -0.00119 1 23 6 0.00000 0.00005 -0.00020 0.00046 -0.00002 2 23 6 0.00001 0.00000 0.00029 0.00034 -0.00001 3 23 6 0.00001 -0.00002 0.00006 -0.00081 -0.00001 1 24 6 0.00012 0.00024 -0.00064 0.00121 -0.00004 2 24 6 -0.00007 0.00015 0.00199 -0.00051 0.00002 3 24 6 -0.00010 0.00001 0.00265 -0.00175 0.00004 1 25 6 -0.00006 -0.00013 -0.03097 0.01759 -0.00033 2 25 6 0.00005 0.00009 0.02325 -0.01406 0.00026 3 25 6 -0.00009 -0.00037 -0.06241 0.03474 -0.00064 1 26 6 0.00001 -0.00002 -0.01263 -0.02372 0.00054 2 26 6 -0.00002 -0.00011 -0.03598 -0.06512 0.00138 3 26 6 -0.00001 0.00002 0.01231 0.02414 -0.00055 1 27 6 0.00001 0.00003 0.00049 -0.00062 -0.00009 2 27 6 0.00000 0.00004 0.00357 0.00717 -0.00030 3 27 6 0.00001 0.00004 0.00293 0.00470 -0.00011 1 28 1 0.00005 -0.00047 0.00326 -0.00308 0.00004 2 28 1 -0.00003 0.00028 -0.00299 0.00276 -0.00002 3 28 1 -0.00003 0.00056 -0.00251 0.00281 0.00000 1 29 1 0.00062 0.00190 0.35502 -0.19835 0.00380 2 29 1 -0.00039 -0.00126 -0.25919 0.14503 -0.00272 3 29 1 0.00118 0.00393 0.75135 -0.41438 0.00773 1 30 1 -0.00003 0.00040 0.14605 0.26720 -0.00564 2 30 1 0.00005 0.00128 0.43234 0.77666 -0.01647 3 30 1 0.00000 -0.00043 -0.14394 -0.26245 0.00561 1 31 1 0.00000 -0.00001 -0.00104 -0.00147 0.00036 2 31 1 -0.00007 -0.00061 -0.04605 -0.08502 0.00297 3 31 1 -0.00005 -0.00040 -0.02899 -0.05276 0.00191 1 32 1 0.00021 -0.00047 -0.00012 -0.00025 0.00002 2 32 1 0.00030 -0.00086 -0.01939 0.00990 -0.00031 3 32 1 0.00118 -0.00094 -0.03749 0.02007 -0.00053 1 33 8 -0.00005 -0.00010 0.00033 -0.00028 0.00002 2 33 8 0.00001 0.00005 -0.00027 0.00014 0.00000 3 33 8 -0.00001 -0.00004 0.00033 -0.00018 0.00002 1 34 8 0.00018 -0.00041 -0.00004 -0.00009 0.00001 2 34 8 0.00059 0.00025 0.00002 -0.00002 0.00000 3 34 8 0.00004 0.00008 0.00013 -0.00001 0.00000 1 35 8 0.00001 0.00013 0.00067 -0.00064 0.00001 2 35 8 0.00000 0.00001 -0.00087 0.00076 -0.00002 3 35 8 -0.00001 0.00000 -0.00054 0.00034 0.00000 1 36 1 -0.00007 -0.00157 0.00082 0.00024 0.00002 2 36 1 0.00000 0.00022 -0.00450 0.00394 -0.00005 3 36 1 0.00011 0.00014 -0.00206 0.00172 -0.00003 1 37 8 0.00000 0.00000 0.00005 0.00052 0.00004 2 37 8 0.00001 0.00001 -0.00021 -0.00040 0.00001 3 37 8 0.00000 0.00000 -0.00022 -0.00108 0.00003 1 38 1 -0.00007 -0.00029 0.00276 0.00323 -0.00077 2 38 1 -0.00005 -0.00005 -0.00005 -0.00190 0.00007 3 38 1 0.00002 0.00007 -0.00280 -0.00730 0.00022 1 39 6 0.00001 0.00002 0.00005 -0.00006 0.00001 2 39 6 -0.00004 -0.00004 -0.00006 0.00007 -0.00001 3 39 6 -0.00001 0.00002 0.00007 -0.00003 0.00004 1 40 8 0.00000 -0.00001 -0.00002 0.00005 -0.00001 2 40 8 0.00002 0.00002 0.00004 -0.00007 0.00003 3 40 8 0.00001 0.00000 0.00000 0.00002 -0.00003 1 41 8 0.00000 -0.00001 -0.00002 0.00003 0.00000 2 41 8 0.00001 0.00001 0.00001 -0.00003 0.00000 3 41 8 0.00000 -0.00001 -0.00002 0.00003 -0.00003 1 42 6 0.00001 0.00000 -0.00001 0.00011 -0.00061 2 42 6 0.00002 0.00002 0.00004 -0.00008 0.00022 3 42 6 0.00000 0.00000 0.00000 0.00006 -0.00043 1 43 1 -0.00008 -0.00020 -0.00028 0.00124 -0.00386 2 43 1 -0.00002 -0.00006 -0.00008 0.00038 -0.00136 3 43 1 0.00010 0.00031 0.00048 -0.00206 0.00701 1 44 1 -0.00006 0.00022 0.00042 -0.00273 0.01109 2 44 1 0.00000 0.00011 0.00019 -0.00125 0.00463 3 44 1 -0.00002 0.00002 0.00007 -0.00042 0.00262 1 45 1 -0.00002 0.00000 0.00002 -0.00008 0.00019 2 45 1 -0.00019 -0.00033 -0.00060 0.00215 -0.00619 3 45 1 -0.00013 -0.00023 -0.00043 0.00145 -0.00394 1 46 6 -0.04314 0.00006 0.00001 0.00001 0.00000 2 46 6 -0.05898 -0.00022 0.00008 -0.00006 0.00000 3 46 6 0.03343 0.00015 -0.00006 0.00004 0.00000 1 47 6 -0.00042 -0.00670 0.00021 -0.00028 0.00003 2 47 6 -0.00055 0.00590 -0.00017 0.00030 -0.00004 3 47 6 0.00181 -0.00524 0.00014 -0.00029 0.00004 1 48 6 0.00029 -0.02721 0.00013 0.00000 -0.00001 2 48 6 0.00037 -0.07507 0.00034 -0.00003 -0.00001 3 48 6 -0.00010 0.01929 -0.00010 0.00002 0.00000 1 49 6 0.00108 0.00244 0.00001 -0.00003 0.00001 2 49 6 0.00250 0.00548 0.00003 -0.00012 0.00002 3 49 6 -0.00095 -0.00404 -0.00004 0.00005 -0.00001 1 50 6 -0.00247 -0.00016 0.00035 -0.00017 0.00000 2 50 6 0.00023 -0.00040 -0.00014 0.00017 -0.00001 3 50 6 -0.00061 0.00051 0.00012 -0.00008 0.00000 1 51 1 0.52498 0.00109 -0.00056 0.00029 -0.00002 2 51 1 0.72798 0.00210 -0.00086 0.00047 -0.00003 3 51 1 -0.43134 -0.00061 0.00054 -0.00033 0.00002 1 52 1 -0.00168 0.35104 -0.00154 0.00010 0.00007 2 52 1 -0.00353 0.88310 -0.00394 0.00024 0.00019 3 52 1 0.00128 -0.25268 0.00104 -0.00006 -0.00005 1 53 1 -0.01268 -0.04193 -0.00010 0.00050 -0.00010 2 53 1 -0.02796 -0.07654 -0.00037 0.00126 -0.00022 3 53 1 0.01320 0.03302 0.00020 -0.00052 0.00009 1 54 1 0.01601 0.00276 -0.00324 0.00192 -0.00009 2 54 1 -0.01700 -0.00090 0.00239 -0.00141 0.00007 3 54 1 0.00806 -0.00067 -0.00193 0.00109 -0.00006 1 55 1 -0.00600 0.07233 -0.00194 0.00321 -0.00043 2 55 1 0.00491 -0.08182 0.00222 -0.00364 0.00049 3 55 1 -0.00716 0.07312 -0.00205 0.00345 -0.00046 1 56 8 0.00166 0.00004 -0.00001 -0.00002 0.00000 2 56 8 -0.00168 0.00009 -0.00002 0.00002 0.00000 3 56 8 0.00059 -0.00021 0.00002 0.00000 0.00000 1 57 8 -0.00023 0.00028 -0.00001 0.00000 0.00000 2 57 8 0.00045 0.00072 -0.00002 0.00001 0.00000 3 57 8 -0.00043 0.00014 0.00000 -0.00001 0.00000 1 58 1 0.00077 0.00591 -0.00013 0.00007 -0.00001 2 58 1 0.00071 0.00267 -0.00001 0.00004 -0.00001 3 58 1 0.00151 -0.00274 0.00010 0.00001 -0.00001 1 59 8 0.00000 -0.00145 0.00000 -0.00001 0.00000 2 59 8 -0.00002 0.00055 -0.00001 0.00001 0.00000 3 59 8 -0.00007 0.00076 0.00000 0.00000 0.00000 1 60 1 0.00018 -0.00128 0.00000 0.00011 -0.00002 2 60 1 -0.00018 0.00156 0.00004 -0.00007 0.00001 3 60 1 -0.00029 0.00596 0.00011 -0.00004 0.00001 1 61 8 0.00005 0.00023 -0.00003 0.00001 0.00000 2 61 8 0.00006 0.00046 -0.00004 0.00003 0.00000 3 61 8 -0.00008 0.00030 0.00005 -0.00002 0.00000 1 62 1 -0.00041 0.00515 0.00032 -0.00012 -0.00001 2 62 1 0.00025 0.00084 0.00042 -0.00045 0.00004 3 62 1 0.00034 0.00219 -0.00048 0.00014 -0.00002 1 63 6 -0.00230 -0.00012 -0.00002 0.00014 -0.00001 2 63 6 -0.00001 0.00000 0.00004 0.00001 0.00000 3 63 6 0.00092 -0.00002 -0.00004 0.00008 -0.00001 1 64 8 -0.00028 0.00003 0.00001 -0.00004 0.00000 2 64 8 -0.00010 0.00000 0.00000 -0.00002 0.00000 3 64 8 -0.00003 0.00000 0.00002 -0.00005 0.00001 1 65 8 0.00075 0.00007 0.00003 -0.00010 0.00001 2 65 8 -0.00014 0.00001 0.00006 -0.00005 0.00000 3 65 8 0.00023 -0.00001 0.00002 -0.00002 0.00000 1 66 6 0.00006 -0.00001 -0.00001 -0.00002 0.00000 2 66 6 0.00010 -0.00003 -0.00001 0.00000 0.00000 3 66 6 -0.00022 -0.00001 0.00001 -0.00002 0.00000 1 67 1 0.00088 -0.00011 0.00004 0.00015 -0.00003 2 67 1 -0.00350 0.00012 0.00006 -0.00065 0.00011 3 67 1 0.00143 0.00003 -0.00001 0.00034 -0.00006 1 68 1 0.00201 -0.00011 0.00011 0.00027 -0.00005 2 68 1 0.00074 0.00016 0.00002 0.00010 -0.00002 3 68 1 0.00018 0.00009 -0.00018 -0.00051 0.00009 1 69 1 0.00036 0.00006 0.00003 0.00002 -0.00001 2 69 1 0.00224 0.00016 0.00015 0.00056 -0.00012 3 69 1 0.00035 0.00012 0.00013 0.00043 -0.00009 1 70 19 -0.00001 0.00000 0.00000 -0.00001 0.00000 2 70 19 -0.00001 -0.00001 0.00002 0.00004 0.00000 3 70 19 0.00000 0.00000 -0.00002 0.00001 -0.00001 181 182 183 184 185 A A A A A Frequencies --- 3080.6742 3085.5033 3087.1265 3096.8820 3102.2973 Reduced masses --- 1.0881 1.0297 1.0284 1.0859 1.0277 Force constants --- 6.0843 5.7760 5.7748 6.1363 5.8276 IR Intensities --- 40.6962 17.6211 20.5482 13.5248 18.8163 Coord Atom Element: 1 1 6 0.00000 -0.00021 -0.00006 0.00001 0.00000 2 1 6 0.00000 0.00011 0.00005 -0.00001 0.00000 3 1 6 0.00000 -0.00009 -0.00003 0.00000 0.00000 1 2 6 -0.00003 0.00000 -0.00011 0.00002 -0.00003 2 2 6 0.00005 0.00003 0.00005 0.00000 0.00003 3 2 6 -0.00001 -0.00003 0.00005 -0.00001 0.00000 1 3 6 -0.00001 -0.00003 -0.00008 0.00001 -0.00001 2 3 6 -0.00001 -0.00001 -0.00005 0.00001 -0.00001 3 3 6 0.00001 0.00001 0.00007 -0.00001 0.00000 1 4 6 -0.00003 -0.00009 -0.00074 0.00001 -0.00001 2 4 6 -0.00003 -0.00010 -0.00059 0.00001 -0.00001 3 4 6 0.00004 0.00019 0.00088 -0.00001 0.00001 1 5 6 0.00000 0.00087 0.00005 -0.00001 0.00000 2 5 6 0.00000 -0.00087 -0.00005 0.00000 0.00000 3 5 6 0.00000 -0.00007 0.00003 0.00000 0.00000 1 6 1 0.00013 0.00022 0.00088 -0.00013 0.00008 2 6 1 0.00010 0.00017 0.00069 -0.00008 0.00006 3 6 1 -0.00010 -0.00017 -0.00065 0.00008 -0.00006 1 7 1 0.00036 0.00182 0.00876 -0.00012 0.00011 2 7 1 0.00029 0.00133 0.00711 -0.00011 0.00009 3 7 1 -0.00045 -0.00228 -0.01032 0.00016 -0.00013 1 8 1 0.00002 -0.00748 -0.00018 0.00001 -0.00001 2 8 1 -0.00004 0.00958 0.00052 -0.00002 -0.00001 3 8 1 0.00000 0.00086 -0.00005 0.00000 0.00000 1 9 1 0.00027 0.00007 0.00041 -0.00001 0.00016 2 9 1 -0.00068 -0.00016 -0.00073 0.00002 -0.00041 3 9 1 0.00017 0.00016 0.00014 0.00000 0.00010 1 10 8 0.00000 0.00003 0.00004 -0.00001 0.00001 2 10 8 0.00000 0.00001 -0.00004 0.00001 0.00000 3 10 8 0.00000 0.00008 -0.00002 0.00001 0.00000 1 11 8 0.00001 0.00000 0.00007 -0.00002 0.00001 2 11 8 0.00001 0.00000 0.00004 0.00000 0.00000 3 11 8 -0.00001 0.00000 -0.00004 0.00001 0.00000 1 12 8 0.00000 0.00000 0.00000 0.00000 0.00000 2 12 8 0.00000 0.00000 0.00000 0.00000 0.00000 3 12 8 0.00000 0.00000 -0.00001 0.00000 0.00000 1 13 1 0.00001 0.00002 0.00005 -0.00002 0.00002 2 13 1 -0.00002 -0.00001 -0.00002 0.00001 -0.00002 3 13 1 0.00001 0.00005 0.00008 -0.00002 0.00002 1 14 8 0.00000 0.00000 0.00001 0.00000 0.00000 2 14 8 0.00000 0.00000 0.00000 0.00000 0.00000 3 14 8 0.00000 0.00002 -0.00002 0.00000 0.00000 1 15 1 0.00000 0.00002 -0.00012 0.00000 0.00000 2 15 1 0.00000 0.00024 -0.00007 -0.00001 0.00001 3 15 1 -0.00001 -0.00008 0.00022 0.00002 -0.00002 1 16 6 -0.00002 0.00208 -0.00004 0.00001 -0.00003 2 16 6 0.00000 -0.00089 0.00000 0.00000 0.00000 3 16 6 0.00001 -0.00134 -0.00001 -0.00001 0.00000 1 17 8 0.00001 -0.00216 0.00000 0.00000 0.00001 2 17 8 0.00000 -0.00016 -0.00001 0.00000 0.00000 3 17 8 -0.00001 0.00075 0.00000 0.00000 -0.00001 1 18 8 0.00001 -0.00062 0.00003 0.00000 0.00002 2 18 8 0.00000 0.00003 0.00000 0.00000 0.00001 3 18 8 0.00000 0.00012 0.00000 0.00000 0.00000 1 19 6 0.00007 -0.04116 -0.00025 0.00002 -0.00004 2 19 6 0.00002 -0.01248 -0.00010 0.00001 -0.00002 3 19 6 0.00002 -0.01124 -0.00006 0.00001 -0.00001 1 20 1 -0.00065 0.34901 0.00206 -0.00015 0.00033 2 20 1 0.00063 -0.33191 -0.00192 0.00013 -0.00030 3 20 1 -0.00086 0.45688 0.00266 -0.00019 0.00043 1 21 1 -0.00003 0.01924 0.00014 -0.00001 0.00003 2 21 1 -0.00116 0.59201 0.00381 -0.00030 0.00057 3 21 1 -0.00017 0.09009 0.00059 -0.00005 0.00009 1 22 1 -0.00028 0.13916 0.00086 -0.00005 0.00012 2 22 1 0.00020 -0.10010 -0.00062 0.00003 -0.00008 3 22 1 0.00083 -0.41079 -0.00252 0.00014 -0.00034 1 23 6 -0.00001 -0.00002 -0.00007 -0.00010 -0.00008 2 23 6 -0.00001 0.00001 0.00013 0.00011 0.00004 3 23 6 -0.00002 0.00001 0.00011 0.00016 0.00005 1 24 6 -0.00007 0.00002 0.00011 -0.00002 -0.00001 2 24 6 -0.00006 0.00001 -0.00009 0.00019 0.00000 3 24 6 -0.00007 0.00001 -0.00004 -0.00012 -0.00004 1 25 6 0.00021 0.00002 0.00010 -0.00006 0.00001 2 25 6 -0.00018 -0.00001 -0.00009 0.00004 -0.00003 3 25 6 0.00041 0.00002 0.00021 -0.00021 0.00003 1 26 6 -0.00010 -0.00005 -0.00008 0.00003 -0.00003 2 26 6 -0.00026 -0.00017 -0.00025 0.00005 -0.00007 3 26 6 0.00010 0.00003 0.00012 -0.00003 0.00002 1 27 6 -0.00001 0.00001 -0.00004 0.00001 0.00000 2 27 6 0.00008 0.00009 0.00014 -0.00008 0.00008 3 27 6 0.00006 0.00006 0.00015 -0.00006 0.00005 1 28 1 -0.00007 0.00023 0.00001 0.00163 0.00083 2 28 1 0.00002 -0.00017 0.00014 -0.00125 -0.00062 3 28 1 0.00008 -0.00022 -0.00077 -0.00162 -0.00080 1 29 1 -0.00220 -0.00013 -0.00122 0.00098 -0.00014 2 29 1 0.00169 0.00010 0.00099 -0.00071 0.00011 3 29 1 -0.00480 -0.00028 -0.00260 0.00215 -0.00030 1 30 1 0.00117 0.00061 0.00100 -0.00016 0.00031 2 30 1 0.00320 0.00182 0.00300 -0.00053 0.00085 3 30 1 -0.00110 -0.00056 -0.00112 0.00020 -0.00027 1 31 1 -0.00001 -0.00005 -0.00004 0.00003 -0.00003 2 31 1 -0.00092 -0.00106 -0.00220 0.00088 -0.00087 3 31 1 -0.00062 -0.00068 -0.00152 0.00063 -0.00059 1 32 1 0.00009 0.00000 -0.00003 -0.00016 -0.00004 2 32 1 0.00054 -0.00014 0.00080 0.00046 -0.00017 3 32 1 0.00109 -0.00021 0.00110 0.00106 0.00024 1 33 8 0.00003 0.00000 -0.00006 -0.00009 0.00001 2 33 8 0.00002 0.00000 0.00003 -0.00009 0.00001 3 33 8 0.00000 0.00001 -0.00005 0.00004 0.00002 1 34 8 -0.00001 -0.00001 -0.00005 0.00067 0.00001 2 34 8 0.00005 0.00000 -0.00001 0.00067 0.00002 3 34 8 -0.00001 0.00000 0.00000 -0.00042 0.00000 1 35 8 0.00002 0.00000 0.00000 0.00003 0.00001 2 35 8 0.00003 0.00001 0.00002 0.00000 0.00002 3 35 8 -0.00001 0.00000 0.00000 0.00002 0.00000 1 36 1 -0.00025 -0.00003 -0.00012 -0.00052 -0.00006 2 36 1 -0.00024 -0.00001 -0.00005 0.00024 -0.00009 3 36 1 0.00025 0.00000 0.00001 -0.00025 0.00000 1 37 8 0.00000 0.00001 -0.00004 0.00001 -0.00001 2 37 8 0.00000 0.00003 0.00000 0.00001 0.00001 3 37 8 -0.00001 0.00001 -0.00002 0.00001 0.00000 1 38 1 0.00010 -0.00028 0.00056 -0.00020 0.00018 2 38 1 -0.00001 -0.00047 0.00004 -0.00002 0.00000 3 38 1 -0.00001 -0.00017 -0.00006 0.00004 -0.00003 1 39 6 -0.00001 0.00000 0.00022 0.00002 -0.00001 2 39 6 0.00000 0.00000 -0.00220 -0.00003 -0.00001 3 39 6 0.00000 -0.00001 -0.00157 0.00002 -0.00002 1 40 8 0.00001 0.00001 -0.00105 0.00000 0.00000 2 40 8 -0.00001 -0.00001 0.00194 0.00002 0.00000 3 40 8 0.00000 0.00001 -0.00061 0.00000 0.00001 1 41 8 0.00000 0.00000 0.00030 -0.00001 0.00001 2 41 8 0.00000 0.00000 0.00020 0.00001 0.00000 3 41 8 0.00000 0.00001 0.00075 -0.00001 0.00001 1 42 6 0.00010 0.00016 -0.02741 0.00013 -0.00004 2 42 6 -0.00005 -0.00013 0.02266 -0.00007 0.00005 3 42 6 0.00006 0.00017 -0.02436 0.00010 -0.00004 1 43 1 0.00073 0.00175 -0.27049 0.00092 -0.00044 2 43 1 0.00024 0.00060 -0.09053 0.00032 -0.00015 3 43 1 -0.00132 -0.00313 0.48270 -0.00170 0.00080 1 44 1 -0.00193 -0.00362 0.58346 -0.00240 0.00083 2 44 1 -0.00082 -0.00152 0.24542 -0.00098 0.00034 3 44 1 -0.00036 -0.00067 0.10737 -0.00046 0.00016 1 45 1 -0.00008 -0.00013 0.02379 -0.00010 0.00004 2 45 1 0.00127 0.00256 -0.43544 0.00146 -0.00076 3 45 1 0.00083 0.00165 -0.28475 0.00094 -0.00051 1 46 6 -0.00072 0.00000 0.00000 -0.00146 0.00002 2 46 6 0.00158 0.00000 0.00001 -0.00151 -0.00034 3 46 6 -0.00058 0.00000 0.00000 0.00071 0.00034 1 47 6 0.04696 0.00009 0.00016 0.00235 0.00014 2 47 6 -0.04962 -0.00009 -0.00015 -0.00324 -0.00025 3 47 6 0.04984 0.00009 0.00015 0.00261 0.00041 1 48 6 -0.00306 0.00000 0.00000 -0.00318 0.00002 2 48 6 -0.00992 -0.00001 -0.00002 -0.00758 -0.00005 3 48 6 0.00182 0.00000 0.00000 0.00265 -0.00001 1 49 6 0.00155 -0.00001 -0.00012 -0.03340 0.00008 2 49 6 0.00418 -0.00002 -0.00024 -0.06706 0.00008 3 49 6 -0.00279 0.00001 0.00011 0.03142 -0.00005 1 50 6 0.00067 0.00000 0.00002 -0.01415 -0.00042 2 50 6 -0.00073 0.00000 0.00002 0.01064 0.00029 3 50 6 0.00060 0.00000 0.00000 -0.00909 -0.00018 1 51 1 -0.00698 0.00003 -0.00005 0.01346 0.00111 2 51 1 -0.00771 0.00005 -0.00004 0.01940 0.00268 3 51 1 0.00580 -0.00003 0.00001 -0.01151 -0.00161 1 52 1 0.04491 0.00005 0.00006 0.03109 0.00021 2 52 1 0.11443 0.00014 0.00017 0.08737 0.00056 3 52 1 -0.02718 -0.00003 -0.00004 -0.02530 -0.00005 1 53 1 -0.02543 0.00012 0.00140 0.39342 -0.00052 2 53 1 -0.04974 0.00025 0.00289 0.79767 -0.00097 3 53 1 0.02196 -0.00011 -0.00130 -0.36118 0.00043 1 54 1 -0.00821 0.00000 0.00009 0.16469 0.00369 2 54 1 0.00767 0.00000 0.00000 -0.13864 -0.00329 3 54 1 -0.00598 -0.00001 0.00001 0.11090 0.00224 1 55 1 -0.53862 -0.00099 -0.00165 -0.02645 -0.00284 2 55 1 0.59646 0.00109 0.00181 0.03051 0.00337 3 55 1 -0.57174 -0.00104 -0.00174 -0.02787 -0.00313 1 56 8 0.00140 0.00000 -0.00001 0.00023 -0.00020 2 56 8 -0.00030 0.00000 0.00000 -0.00003 -0.00020 3 56 8 -0.00090 0.00000 0.00000 0.00006 -0.00030 1 57 8 -0.00132 0.00000 -0.00001 -0.00013 0.00004 2 57 8 -0.00079 0.00000 -0.00001 0.00026 -0.00001 3 57 8 -0.00039 0.00000 -0.00001 -0.00039 -0.00012 1 58 1 -0.00251 -0.00001 0.00001 0.00120 0.00003 2 58 1 -0.00193 0.00001 0.00003 -0.00014 0.00016 3 58 1 0.00781 0.00004 0.00008 0.00226 0.00012 1 59 8 -0.00027 0.00000 -0.00001 0.00015 -0.00001 2 59 8 0.00026 0.00000 0.00000 0.00033 0.00000 3 59 8 0.00030 0.00000 0.00000 -0.00028 -0.00001 1 60 1 -0.00145 0.00002 0.00006 -0.00007 0.00010 2 60 1 0.00050 0.00000 -0.00002 -0.00171 -0.00002 3 60 1 0.00056 0.00001 0.00000 0.00200 -0.00003 1 61 8 0.00000 0.00000 0.00000 0.00066 -0.00001 2 61 8 0.00004 0.00000 0.00001 0.00081 0.00001 3 61 8 0.00021 0.00000 -0.00001 -0.00168 0.00002 1 62 1 0.00119 0.00000 0.00001 -0.00711 0.00004 2 62 1 0.00105 -0.00003 -0.00018 -0.01133 -0.00006 3 62 1 -0.00067 -0.00001 0.00006 0.01378 -0.00009 1 63 6 -0.00008 0.00003 0.00004 -0.00040 -0.00116 2 63 6 0.00012 0.00000 0.00002 0.00018 -0.00089 3 63 6 0.00006 0.00001 0.00003 0.00005 -0.00169 1 64 8 -0.00003 -0.00001 -0.00002 0.00003 0.00164 2 64 8 -0.00004 0.00000 -0.00001 0.00000 0.00052 3 64 8 -0.00008 -0.00001 -0.00002 0.00002 0.00102 1 65 8 0.00006 -0.00002 -0.00003 0.00022 0.00048 2 65 8 -0.00003 0.00000 -0.00001 -0.00003 0.00008 3 65 8 -0.00003 0.00000 -0.00001 0.00010 0.00025 1 66 6 -0.00020 -0.00003 -0.00005 -0.00003 0.04137 2 66 6 -0.00021 -0.00001 -0.00002 -0.00005 0.00578 3 66 6 0.00006 0.00000 -0.00002 -0.00003 0.00727 1 67 1 0.00079 0.00014 0.00022 0.00010 -0.15972 2 67 1 -0.00172 -0.00045 -0.00071 -0.00020 0.46941 3 67 1 0.00072 0.00024 0.00039 0.00009 -0.25214 1 68 1 0.00197 0.00029 0.00047 0.00019 -0.30935 2 68 1 0.00085 0.00008 0.00015 0.00016 -0.08671 3 68 1 -0.00321 -0.00049 -0.00079 0.00001 0.51409 1 69 1 0.00037 0.00003 0.00007 0.00014 -0.03955 2 69 1 0.00327 0.00042 0.00082 0.00064 -0.44683 3 69 1 0.00232 0.00032 0.00063 0.00037 -0.34634 1 70 19 -0.00001 0.00002 -0.00001 0.00000 -0.00002 2 70 19 0.00000 0.00000 0.00002 -0.00001 0.00000 3 70 19 0.00000 -0.00001 0.00002 0.00000 0.00000 186 187 188 189 190 A A A A A Frequencies --- 3105.3404 3113.5657 3121.2202 3124.3015 3171.5388 Reduced masses --- 1.0863 1.0859 1.0860 1.0882 1.1084 Force constants --- 6.1720 6.2023 6.2332 6.2582 6.5686 IR Intensities --- 3.0221 12.6238 6.1093 19.0367 17.2762 Coord Atom Element: 1 1 6 0.00002 -0.00002 0.00016 -0.00059 0.00011 2 1 6 -0.00008 0.00002 -0.00031 0.00102 0.00001 3 1 6 -0.00004 0.00000 -0.00013 0.00038 0.00010 1 2 6 -0.00424 0.00030 -0.01023 0.02859 -0.00003 2 2 6 0.00979 -0.00075 0.02514 -0.07203 0.00008 3 2 6 -0.00207 0.00019 -0.00638 0.01898 -0.00002 1 3 6 0.00039 -0.00003 0.00063 -0.00156 0.00000 2 3 6 0.00043 -0.00003 0.00070 -0.00181 0.00000 3 3 6 -0.00035 0.00001 -0.00036 0.00060 0.00002 1 4 6 0.00000 -0.00001 0.00022 -0.00078 -0.00004 2 4 6 -0.00011 0.00001 -0.00012 0.00026 -0.00001 3 4 6 0.00009 -0.00001 0.00011 -0.00025 0.00000 1 5 6 -0.00002 0.00001 -0.00007 0.00021 -0.00089 2 5 6 0.00005 -0.00001 0.00012 -0.00030 0.00144 3 5 6 0.00000 0.00000 -0.00003 0.00011 -0.00004 1 6 1 -0.00287 0.00026 -0.00733 0.02053 0.00000 2 6 1 -0.00263 0.00020 -0.00582 0.01573 -0.00007 3 6 1 0.00299 -0.00019 0.00510 -0.01245 0.00002 1 7 1 0.00053 -0.00003 -0.00023 0.00172 0.00079 2 7 1 0.00044 -0.00001 -0.00017 0.00135 0.00074 3 7 1 -0.00074 0.00003 0.00029 -0.00226 -0.00062 1 8 1 0.00031 -0.00003 0.00068 -0.00167 0.01022 2 8 1 -0.00053 0.00006 -0.00116 0.00284 -0.01664 3 8 1 0.00003 0.00000 0.00001 0.00003 -0.00059 1 9 1 0.04840 -0.00356 0.11568 -0.32645 0.00030 2 9 1 -0.11726 0.00888 -0.29482 0.84130 -0.00084 3 9 1 0.02793 -0.00222 0.07467 -0.21572 0.00024 1 10 8 0.00004 0.00001 -0.00003 0.00024 0.00000 2 10 8 0.00001 -0.00001 0.00003 -0.00013 0.00001 3 10 8 0.00007 -0.00001 0.00031 -0.00098 -0.00001 1 11 8 0.00138 -0.00002 0.00032 -0.00049 0.00003 2 11 8 0.00017 -0.00002 0.00008 0.00014 0.00000 3 11 8 -0.00020 0.00001 -0.00003 0.00029 0.00000 1 12 8 -0.00005 0.00000 -0.00003 0.00002 0.00000 2 12 8 -0.00002 0.00000 -0.00006 0.00021 0.00000 3 12 8 -0.00002 0.00000 -0.00004 0.00019 0.00000 1 13 1 0.00002 0.00002 0.00024 -0.00046 -0.00004 2 13 1 -0.00007 0.00001 -0.00036 0.00114 0.00007 3 13 1 -0.00005 0.00002 -0.00034 0.00091 -0.00004 1 14 8 0.00000 0.00000 -0.00001 0.00006 -0.00001 2 14 8 0.00000 0.00000 -0.00002 0.00005 -0.00001 3 14 8 0.00000 0.00000 0.00000 0.00005 0.00001 1 15 1 -0.00006 0.00000 -0.00012 0.00028 -0.00001 2 15 1 0.00001 0.00001 0.00001 -0.00003 -0.00005 3 15 1 -0.00002 -0.00002 0.00000 -0.00018 0.00000 1 16 6 -0.00004 0.00000 -0.00004 -0.00011 0.00000 2 16 6 0.00000 0.00001 -0.00002 0.00006 0.00008 3 16 6 0.00002 0.00001 -0.00001 0.00007 -0.00010 1 17 8 0.00001 0.00000 0.00001 0.00005 -0.00004 2 17 8 0.00000 0.00000 0.00000 -0.00003 0.00030 3 17 8 -0.00001 0.00000 0.00000 -0.00003 -0.00031 1 18 8 0.00002 0.00000 0.00004 0.00001 0.00001 2 18 8 0.00000 -0.00001 0.00001 -0.00003 -0.00003 3 18 8 -0.00001 0.00000 0.00001 -0.00004 0.00005 1 19 6 -0.00004 0.00000 -0.00003 -0.00004 0.01448 2 19 6 -0.00001 -0.00001 -0.00002 -0.00001 -0.04828 3 19 6 -0.00002 0.00000 0.00002 -0.00012 0.03041 1 20 1 0.00032 -0.00001 0.00014 0.00046 -0.23216 2 20 1 -0.00028 0.00001 -0.00014 -0.00035 0.21675 3 20 1 0.00041 -0.00001 0.00017 0.00060 -0.30917 1 21 1 0.00002 0.00000 0.00003 0.00001 0.01356 2 21 1 0.00055 0.00012 0.00047 0.00021 0.39311 3 21 1 0.00009 0.00002 0.00006 0.00012 0.07077 1 22 1 0.00011 0.00000 0.00018 -0.00027 0.04594 2 22 1 -0.00007 0.00000 -0.00011 0.00018 -0.04113 3 22 1 -0.00029 0.00001 -0.00048 0.00078 -0.11817 1 23 6 -0.01932 -0.00097 0.04682 0.01370 -0.00013 2 23 6 0.01503 0.00079 -0.03611 -0.01042 -0.00010 3 23 6 0.01839 0.00111 -0.04619 -0.01366 0.00010 1 24 6 0.00007 -0.00116 0.00039 0.00029 -0.00003 2 24 6 0.00034 -0.00016 -0.00076 -0.00026 -0.00015 3 24 6 0.00001 -0.00116 0.00004 -0.00002 -0.00021 1 25 6 0.00024 -0.00013 -0.00022 0.00014 -0.00001 2 25 6 -0.00029 0.00010 0.00002 -0.00017 0.00000 3 25 6 -0.00006 -0.00041 -0.00109 -0.00003 -0.00001 1 26 6 -0.00260 0.00003 -0.00012 -0.00280 -0.00001 2 26 6 -0.00762 0.00025 -0.00069 -0.00805 -0.00001 3 26 6 0.00259 -0.00007 0.00021 0.00302 0.00000 1 27 6 -0.00644 0.00016 -0.00171 -0.00091 -0.00001 2 27 6 -0.06406 0.00196 -0.02193 -0.01600 0.00001 3 27 6 -0.04314 0.00128 -0.01419 -0.01041 0.00003 1 28 1 0.22130 0.01211 -0.54135 -0.15983 -0.00005 2 28 1 -0.18161 -0.00961 0.43611 0.12753 0.00021 3 28 1 -0.22491 -0.01278 0.55551 0.16425 0.00005 1 29 1 -0.00228 0.00218 0.00276 -0.00212 0.00007 2 29 1 0.00106 -0.00161 -0.00177 0.00136 -0.00004 3 29 1 -0.00167 0.00455 0.00677 -0.00270 0.00012 1 30 1 0.02647 -0.00031 0.00008 0.03333 0.00004 2 30 1 0.08552 -0.00201 0.00449 0.09583 0.00006 3 30 1 -0.03028 0.00076 -0.00234 -0.03229 0.00000 1 31 1 0.05007 -0.00164 0.01882 0.00873 0.00003 2 31 1 0.75593 -0.02307 0.25547 0.18669 -0.00026 3 31 1 0.51004 -0.01541 0.16868 0.12593 -0.00015 1 32 1 -0.00005 0.00237 -0.00006 -0.00012 0.00018 2 32 1 -0.00091 0.00997 0.00252 0.00102 0.00162 3 32 1 -0.00142 0.01556 0.00229 0.00100 0.00260 1 33 8 0.00065 -0.00005 -0.00113 -0.00034 0.00000 2 33 8 0.00035 -0.00044 0.00005 0.00010 0.00002 3 33 8 0.00040 0.00025 -0.00057 -0.00018 -0.00001 1 34 8 0.00009 0.00104 -0.00026 -0.00010 0.00001 2 34 8 0.00000 0.00063 0.00009 0.00005 0.00001 3 34 8 0.00000 -0.00033 0.00005 0.00002 -0.00001 1 35 8 0.00020 0.00000 0.00019 0.00008 0.00000 2 35 8 0.00014 0.00002 -0.00024 -0.00003 0.00000 3 35 8 -0.00008 0.00000 0.00041 0.00012 0.00000 1 36 1 -0.00026 0.00019 0.00080 0.00031 0.00003 2 36 1 0.00059 -0.00082 0.00006 0.00017 -0.00004 3 36 1 0.00132 -0.00023 0.00074 0.00046 0.00001 1 37 8 0.00008 -0.00001 -0.00009 0.00026 -0.00002 2 37 8 0.00026 -0.00002 0.00012 0.00012 0.00000 3 37 8 0.00035 -0.00001 0.00017 -0.00007 0.00000 1 38 1 0.00062 0.00036 0.00123 -0.00188 0.00039 2 38 1 -0.00040 0.00012 0.00083 -0.00283 0.00006 3 38 1 0.00023 -0.00009 0.00035 -0.00042 -0.00007 1 39 6 -0.00019 0.00000 -0.00008 0.00004 -0.00003 2 39 6 0.00014 0.00004 -0.00038 -0.00011 0.00006 3 39 6 0.00000 0.00000 -0.00128 -0.00052 -0.00027 1 40 8 0.00002 0.00001 -0.00008 -0.00004 0.00039 2 40 8 -0.00015 -0.00002 0.00044 0.00014 0.00032 3 40 8 0.00004 0.00001 0.00005 0.00005 -0.00015 1 41 8 0.00011 0.00000 0.00001 0.00000 0.00015 2 41 8 0.00001 -0.00001 0.00025 0.00009 0.00007 3 41 8 0.00000 0.00001 0.00048 0.00018 0.00005 1 42 6 -0.00009 -0.00006 0.00003 -0.00017 -0.06249 2 42 6 -0.00001 -0.00002 0.00027 0.00003 -0.03659 3 42 6 -0.00010 -0.00004 0.00018 0.00008 0.02082 1 43 1 -0.00063 -0.00010 0.00037 0.00045 0.23596 2 43 1 -0.00021 -0.00005 -0.00006 0.00005 0.07211 3 43 1 0.00111 0.00024 -0.00047 -0.00083 -0.44476 1 44 1 0.00136 0.00080 -0.00021 0.00164 0.51952 2 44 1 0.00062 0.00032 -0.00032 0.00065 0.22078 3 44 1 0.00019 0.00017 0.00008 0.00028 0.10245 1 45 1 0.00004 0.00001 0.00017 0.00004 -0.01824 2 45 1 -0.00035 -0.00001 -0.00259 -0.00078 0.13701 3 45 1 -0.00023 -0.00001 -0.00161 -0.00046 0.09783 1 46 6 0.00002 0.00104 0.00003 0.00000 0.00000 2 46 6 0.00005 0.00241 0.00006 -0.00001 -0.00001 3 46 6 -0.00002 -0.00085 -0.00002 0.00000 0.00001 1 47 6 0.00002 0.00022 0.00003 0.00003 0.00001 2 47 6 -0.00002 0.00028 -0.00001 -0.00003 -0.00001 3 47 6 0.00002 -0.00005 0.00000 0.00002 0.00001 1 48 6 0.00001 0.00142 0.00005 0.00000 0.00000 2 48 6 -0.00003 0.00144 0.00007 -0.00001 -0.00002 3 48 6 0.00000 -0.00080 -0.00003 0.00000 0.00001 1 49 6 0.00023 0.00803 0.00015 0.00000 -0.00001 2 49 6 0.00045 0.01637 0.00034 0.00001 -0.00002 3 49 6 -0.00023 -0.00861 -0.00023 -0.00002 0.00001 1 50 6 -0.00109 -0.05607 -0.00169 -0.00015 0.00002 2 50 6 0.00087 0.04646 0.00148 0.00015 -0.00004 3 50 6 -0.00070 -0.03693 -0.00114 -0.00010 0.00002 1 51 1 -0.00035 -0.01786 -0.00050 0.00002 0.00010 2 51 1 -0.00050 -0.02513 -0.00067 0.00004 0.00012 3 51 1 0.00021 0.00979 0.00023 -0.00003 -0.00005 1 52 1 0.00008 -0.00782 -0.00038 0.00003 0.00006 2 52 1 0.00017 -0.02186 -0.00098 0.00008 0.00018 3 52 1 -0.00005 0.00634 0.00028 -0.00002 -0.00005 1 53 1 -0.00276 -0.09954 -0.00217 -0.00008 0.00016 2 53 1 -0.00549 -0.19714 -0.00420 -0.00013 0.00027 3 53 1 0.00257 0.09358 0.00211 0.00009 -0.00013 1 54 1 0.01270 0.65840 0.02003 0.00188 -0.00026 2 54 1 -0.01075 -0.55640 -0.01682 -0.00152 0.00023 3 54 1 0.00849 0.43469 0.01290 0.00112 -0.00017 1 55 1 -0.00024 -0.00057 -0.00015 -0.00030 -0.00012 2 55 1 0.00025 0.00003 0.00014 0.00032 0.00013 3 55 1 -0.00025 -0.00052 -0.00012 -0.00030 -0.00012 1 56 8 0.00000 0.00031 0.00000 -0.00001 0.00000 2 56 8 0.00000 -0.00023 -0.00001 0.00000 0.00000 3 56 8 0.00001 0.00045 0.00002 0.00000 0.00000 1 57 8 0.00000 0.00000 0.00000 0.00000 0.00000 2 57 8 0.00000 -0.00013 0.00000 0.00000 0.00000 3 57 8 0.00000 0.00011 0.00000 0.00000 0.00000 1 58 1 -0.00002 -0.00045 -0.00006 -0.00002 0.00000 2 58 1 -0.00001 0.00014 0.00001 0.00000 -0.00001 3 58 1 -0.00001 -0.00038 0.00004 0.00004 0.00002 1 59 8 0.00000 -0.00005 -0.00001 0.00000 0.00000 2 59 8 0.00000 -0.00010 0.00000 0.00000 0.00000 3 59 8 0.00000 0.00011 0.00000 0.00000 0.00000 1 60 1 0.00000 -0.00011 0.00001 0.00002 0.00002 2 60 1 -0.00001 0.00049 0.00003 -0.00001 -0.00002 3 60 1 0.00000 -0.00018 0.00007 0.00003 0.00001 1 61 8 -0.00003 0.00011 0.00004 0.00000 -0.00001 2 61 8 -0.00002 -0.00017 0.00001 0.00000 0.00000 3 61 8 0.00003 0.00064 0.00003 0.00001 0.00000 1 62 1 0.00035 0.00005 -0.00039 -0.00003 0.00005 2 62 1 0.00020 0.00236 0.00001 -0.00002 0.00003 3 62 1 -0.00026 -0.00379 -0.00009 -0.00002 -0.00002 1 63 6 -0.00002 -0.00100 0.00005 0.00006 0.00001 2 63 6 0.00000 -0.00007 0.00000 0.00000 0.00000 3 63 6 -0.00001 -0.00028 0.00002 0.00002 0.00001 1 64 8 0.00000 0.00013 -0.00001 -0.00001 0.00000 2 64 8 0.00000 0.00000 -0.00001 -0.00001 0.00000 3 64 8 0.00000 -0.00001 -0.00002 -0.00001 -0.00001 1 65 8 0.00000 0.00032 -0.00004 -0.00004 -0.00001 2 65 8 0.00001 -0.00002 -0.00001 0.00000 0.00000 3 65 8 0.00001 0.00034 0.00000 0.00000 -0.00001 1 66 6 0.00001 -0.00022 0.00006 0.00005 0.00001 2 66 6 0.00000 -0.00015 0.00000 0.00001 0.00002 3 66 6 0.00000 -0.00007 0.00001 0.00001 -0.00003 1 67 1 -0.00003 0.00074 -0.00022 -0.00014 0.00006 2 67 1 0.00010 -0.00204 0.00060 0.00037 -0.00018 3 67 1 -0.00006 0.00115 -0.00033 -0.00020 0.00010 1 68 1 -0.00007 0.00175 -0.00040 -0.00032 -0.00019 2 68 1 -0.00002 0.00055 -0.00011 -0.00009 -0.00005 3 68 1 0.00011 -0.00280 0.00065 0.00050 0.00031 1 69 1 -0.00001 0.00043 -0.00006 -0.00005 0.00000 2 69 1 -0.00012 0.00345 -0.00052 -0.00043 0.00000 3 69 1 -0.00010 0.00269 -0.00040 -0.00033 0.00000 1 70 19 0.00001 0.00001 -0.00001 0.00001 -0.00001 2 70 19 0.00001 0.00001 0.00003 0.00002 -0.00001 3 70 19 0.00000 0.00000 0.00002 0.00001 0.00001 191 192 193 194 195 A A A A A Frequencies --- 3171.5532 3182.2334 3188.0296 3193.6312 3197.4025 Reduced masses --- 1.1085 1.0856 1.1091 1.1075 1.1098 Force constants --- 6.5696 6.4769 6.6416 6.6553 6.6848 IR Intensities --- 7.5466 13.0916 10.4144 8.2138 10.3064 Coord Atom Element: 1 1 6 0.00021 -0.00002 0.00003 -0.00023 0.00000 2 1 6 -0.00005 0.00004 -0.00002 0.00020 0.00000 3 1 6 0.00015 0.00001 0.00003 -0.00022 0.00000 1 2 6 0.00006 0.00001 0.00003 -0.00008 -0.00001 2 2 6 -0.00014 0.00003 0.00000 0.00010 0.00000 3 2 6 0.00004 -0.00008 -0.00004 0.00002 0.00001 1 3 6 -0.00001 0.00001 0.00002 -0.00001 0.00000 2 3 6 -0.00005 0.00000 0.00001 0.00005 0.00000 3 3 6 0.00003 -0.00001 -0.00002 0.00000 0.00000 1 4 6 0.00008 0.00001 -0.00003 0.00006 0.00000 2 4 6 0.00012 0.00000 -0.00004 0.00004 0.00000 3 4 6 -0.00019 -0.00002 0.00002 0.00011 0.00000 1 5 6 -0.00129 -0.00001 -0.00015 0.00182 0.00001 2 5 6 0.00209 0.00001 0.00025 -0.00264 -0.00001 3 5 6 -0.00007 0.00000 -0.00002 0.00005 0.00000 1 6 1 0.00029 -0.00018 -0.00023 -0.00001 0.00004 2 6 1 0.00032 -0.00012 -0.00017 -0.00004 0.00003 3 6 1 -0.00027 0.00011 0.00018 0.00005 -0.00003 1 7 1 -0.00145 -0.00009 0.00057 0.00018 0.00001 2 7 1 -0.00134 -0.00008 0.00041 -0.00004 0.00002 3 7 1 0.00119 0.00019 -0.00052 -0.00066 -0.00003 1 8 1 0.01446 0.00014 0.00160 -0.01880 -0.00006 2 8 1 -0.02394 -0.00024 -0.00281 0.02952 0.00011 3 8 1 -0.00070 0.00002 0.00000 0.00134 0.00000 1 9 1 -0.00064 0.00011 -0.00002 0.00046 0.00000 2 9 1 0.00155 -0.00039 -0.00005 -0.00100 0.00000 3 9 1 -0.00040 0.00011 0.00005 0.00022 -0.00001 1 10 8 -0.00004 0.00004 -0.00001 0.00003 0.00000 2 10 8 0.00005 -0.00001 0.00002 -0.00004 0.00000 3 10 8 -0.00002 0.00003 0.00002 0.00000 0.00000 1 11 8 -0.00003 -0.00005 -0.00002 0.00004 0.00001 2 11 8 0.00000 -0.00002 -0.00001 0.00000 0.00000 3 11 8 0.00000 0.00006 0.00003 -0.00001 0.00000 1 12 8 -0.00001 0.00000 -0.00001 0.00002 0.00000 2 12 8 0.00002 0.00000 0.00000 -0.00002 0.00000 3 12 8 0.00000 0.00001 0.00001 -0.00001 0.00000 1 13 1 0.00006 0.00003 0.00005 -0.00012 0.00000 2 13 1 -0.00011 0.00000 0.00004 0.00012 0.00000 3 13 1 0.00002 -0.00001 -0.00007 -0.00003 0.00001 1 14 8 0.00001 0.00000 -0.00001 -0.00002 0.00000 2 14 8 0.00001 0.00000 0.00001 -0.00001 0.00000 3 14 8 0.00001 0.00001 0.00001 -0.00002 0.00000 1 15 1 0.00011 -0.00002 -0.00002 0.00006 0.00000 2 15 1 0.00001 -0.00002 -0.00005 0.00012 0.00001 3 15 1 -0.00011 -0.00003 -0.00002 0.00017 -0.00001 1 16 6 0.00002 -0.00006 -0.00004 -0.00057 0.00000 2 16 6 0.00016 -0.00001 -0.00003 -0.00015 0.00000 3 16 6 -0.00004 -0.00001 -0.00001 -0.00021 0.00001 1 17 8 -0.00004 0.00002 0.00001 0.00029 0.00000 2 17 8 0.00037 0.00000 0.00000 0.00027 0.00000 3 17 8 -0.00041 -0.00001 0.00000 0.00063 0.00000 1 18 8 -0.00002 0.00004 0.00003 0.00001 0.00000 2 18 8 -0.00006 0.00000 0.00002 0.00010 0.00000 3 18 8 0.00003 0.00001 0.00000 0.00006 0.00000 1 19 6 0.01859 -0.00005 -0.00004 0.01496 -0.00002 2 19 6 -0.06204 0.00008 0.00004 -0.04752 0.00006 3 19 6 0.03884 -0.00005 0.00021 -0.08109 0.00011 1 20 1 -0.29761 0.00049 -0.00036 0.08397 -0.00014 2 20 1 0.27785 -0.00044 0.00035 -0.08931 0.00014 3 20 1 -0.39632 0.00064 -0.00044 0.09441 -0.00016 1 21 1 0.01742 -0.00001 0.00000 0.01274 -0.00002 2 21 1 0.50533 -0.00055 -0.00036 0.45311 -0.00059 3 21 1 0.09098 -0.00011 -0.00004 0.06141 -0.00007 1 22 1 0.05839 -0.00001 0.00071 -0.27378 0.00038 2 22 1 -0.05239 0.00004 -0.00051 0.19723 -0.00027 3 22 1 -0.15001 0.00002 -0.00202 0.80166 -0.00110 1 23 6 0.00010 0.00060 0.00017 -0.00001 -0.00001 2 23 6 0.00008 0.00035 -0.00006 0.00000 -0.00001 3 23 6 -0.00007 0.00095 -0.00016 0.00000 -0.00001 1 24 6 0.00001 -0.00602 -0.00010 -0.00001 -0.00006 2 24 6 0.00005 -0.04411 -0.00050 -0.00001 0.00005 3 24 6 0.00007 -0.07113 -0.00085 -0.00001 0.00009 1 25 6 0.00001 -0.00147 -0.00003 -0.00001 0.00000 2 25 6 0.00000 0.00109 0.00002 0.00000 -0.00001 3 25 6 0.00001 -0.00357 -0.00007 -0.00001 0.00001 1 26 6 0.00000 0.00011 0.00000 0.00000 -0.00001 2 26 6 0.00000 -0.00045 -0.00002 -0.00001 0.00000 3 26 6 0.00001 -0.00027 -0.00003 0.00000 0.00001 1 27 6 0.00001 0.00009 0.00002 -0.00003 -0.00001 2 27 6 -0.00002 0.00000 -0.00003 0.00002 0.00000 3 27 6 -0.00003 -0.00014 -0.00002 0.00001 0.00000 1 28 1 0.00007 0.00228 -0.00191 0.00004 -0.00003 2 28 1 -0.00020 -0.00219 0.00152 0.00000 0.00002 3 28 1 -0.00008 -0.00236 0.00193 -0.00003 0.00002 1 29 1 -0.00011 0.01613 0.00033 0.00008 -0.00005 2 29 1 0.00005 -0.01689 -0.00031 -0.00004 0.00003 3 29 1 -0.00016 0.04104 0.00076 0.00012 -0.00009 1 30 1 0.00000 -0.00070 0.00000 0.00002 0.00006 2 30 1 0.00005 0.00127 0.00000 0.00009 0.00008 3 30 1 -0.00003 0.00037 0.00010 -0.00003 -0.00004 1 31 1 -0.00002 -0.00007 0.00001 0.00003 0.00001 2 31 1 0.00028 0.00022 0.00044 -0.00021 -0.00003 3 31 1 0.00016 0.00088 0.00027 -0.00013 -0.00003 1 32 1 -0.00006 0.06336 0.00083 0.00002 -0.00004 2 32 1 -0.00056 0.52716 0.00609 0.00005 -0.00052 3 32 1 -0.00090 0.84159 0.00991 0.00011 -0.00088 1 33 8 -0.00001 -0.00118 0.00003 0.00001 0.00002 2 33 8 -0.00001 0.00061 -0.00001 0.00000 0.00000 3 33 8 0.00001 -0.00032 0.00005 0.00001 0.00001 1 34 8 -0.00001 0.00101 0.00003 0.00001 0.00005 2 34 8 -0.00001 0.00006 0.00001 0.00000 0.00003 3 34 8 0.00001 -0.00010 0.00000 0.00000 0.00000 1 35 8 0.00000 0.00018 0.00000 0.00000 0.00000 2 35 8 0.00000 0.00054 0.00000 0.00000 0.00000 3 35 8 0.00000 0.00041 0.00001 0.00000 0.00000 1 36 1 -0.00002 -0.00099 0.00003 0.00003 0.00008 2 36 1 0.00002 0.00099 0.00002 0.00000 -0.00010 3 36 1 0.00000 -0.00088 -0.00003 0.00000 0.00000 1 37 8 0.00001 0.00018 0.00001 -0.00004 -0.00001 2 37 8 0.00000 0.00011 0.00002 0.00000 0.00000 3 37 8 -0.00001 0.00006 0.00001 0.00002 0.00000 1 38 1 -0.00018 0.00247 -0.00018 0.00051 0.00012 2 38 1 -0.00002 0.00201 -0.00008 -0.00007 0.00002 3 38 1 0.00022 0.00032 0.00000 -0.00029 0.00000 1 39 6 0.00003 0.00008 -0.00067 -0.00001 -0.00001 2 39 6 -0.00006 -0.00002 0.00019 -0.00001 0.00001 3 39 6 0.00021 0.00007 -0.00107 0.00000 0.00000 1 40 8 -0.00031 -0.00004 -0.00016 0.00000 0.00000 2 40 8 -0.00024 0.00004 0.00057 0.00001 -0.00001 3 40 8 0.00012 -0.00002 0.00040 0.00000 0.00000 1 41 8 -0.00012 -0.00004 0.00026 0.00000 0.00000 2 41 8 -0.00005 0.00001 -0.00009 0.00000 0.00000 3 41 8 -0.00004 -0.00004 0.00052 0.00000 0.00000 1 42 6 0.04871 0.00020 0.00797 -0.00008 -0.00003 2 42 6 0.02857 0.00074 -0.05693 -0.00019 0.00004 3 42 6 -0.01614 0.00085 -0.07685 -0.00014 0.00006 1 43 1 -0.18359 0.00227 -0.25286 -0.00019 0.00025 2 43 1 -0.05608 0.00094 -0.09319 -0.00009 0.00008 3 43 1 0.34607 -0.00394 0.43870 0.00030 -0.00044 1 44 1 -0.40536 -0.00504 0.19954 0.00120 0.00011 2 44 1 -0.17227 -0.00191 0.07303 0.00047 0.00005 3 44 1 -0.07993 -0.00083 0.01998 0.00021 0.00004 1 45 1 0.01427 0.00044 -0.03644 -0.00011 0.00002 2 45 1 -0.10739 -0.00788 0.68824 0.00183 -0.00055 3 45 1 -0.07665 -0.00527 0.45275 0.00122 -0.00035 1 46 6 0.00000 0.00022 -0.00001 0.00000 -0.00013 2 46 6 0.00001 0.00022 -0.00001 0.00000 0.00006 3 46 6 -0.00001 -0.00024 0.00000 0.00000 -0.00022 1 47 6 -0.00001 -0.00004 0.00000 0.00000 0.00025 2 47 6 0.00001 0.00003 0.00000 0.00000 -0.00004 3 47 6 -0.00001 -0.00012 -0.00001 0.00000 -0.00018 1 48 6 0.00000 -0.00008 0.00000 0.00000 -0.00003 2 48 6 0.00001 -0.00008 -0.00001 0.00000 -0.00004 3 48 6 0.00000 0.00003 0.00000 0.00000 0.00001 1 49 6 0.00001 -0.00014 -0.00001 0.00000 -0.00001 2 49 6 0.00001 -0.00018 -0.00002 0.00000 -0.00001 3 49 6 0.00000 0.00009 0.00000 0.00000 -0.00002 1 50 6 -0.00001 0.00100 0.00001 0.00000 -0.00008 2 50 6 0.00002 -0.00123 -0.00003 -0.00001 -0.00001 3 50 6 -0.00001 0.00094 0.00002 0.00000 -0.00005 1 51 1 -0.00007 -0.00017 0.00008 0.00001 0.00106 2 51 1 -0.00007 0.00008 0.00012 0.00002 0.00027 3 51 1 0.00003 0.00077 -0.00004 0.00000 -0.00068 1 52 1 -0.00003 0.00034 0.00004 0.00002 0.00008 2 52 1 -0.00010 0.00117 0.00011 0.00005 0.00020 3 52 1 0.00003 -0.00035 -0.00003 -0.00001 -0.00013 1 53 1 -0.00010 0.00161 0.00011 0.00003 0.00010 2 53 1 -0.00016 0.00255 0.00020 0.00006 0.00013 3 53 1 0.00008 -0.00152 -0.00010 -0.00003 -0.00005 1 54 1 0.00012 -0.01194 -0.00029 -0.00003 0.00075 2 54 1 -0.00010 0.01067 0.00021 0.00003 -0.00045 3 54 1 0.00008 -0.00817 -0.00021 -0.00002 0.00063 1 55 1 0.00007 0.00065 0.00000 0.00002 -0.00031 2 55 1 -0.00007 -0.00060 0.00000 -0.00002 0.00012 3 55 1 0.00007 0.00075 0.00002 0.00002 0.00004 1 56 8 0.00000 -0.00004 0.00000 0.00000 0.00010 2 56 8 0.00000 0.00001 0.00000 0.00000 0.00023 3 56 8 0.00000 0.00006 0.00000 0.00000 0.00017 1 57 8 0.00000 0.00001 0.00000 0.00000 -0.00009 2 57 8 0.00000 0.00001 0.00000 0.00000 0.00000 3 57 8 0.00000 0.00002 0.00000 0.00000 0.00012 1 58 1 0.00000 -0.00017 -0.00003 -0.00001 -0.00017 2 58 1 0.00000 -0.00008 -0.00001 -0.00001 0.00011 3 58 1 -0.00002 -0.00004 0.00001 -0.00001 0.00030 1 59 8 0.00000 0.00003 0.00000 0.00000 -0.00001 2 59 8 0.00000 0.00000 0.00000 0.00000 0.00001 3 59 8 0.00000 0.00000 0.00000 0.00000 0.00002 1 60 1 -0.00001 -0.00021 -0.00001 -0.00001 0.00004 2 60 1 0.00001 0.00009 0.00001 0.00000 0.00003 3 60 1 -0.00001 0.00004 0.00004 0.00001 0.00017 1 61 8 0.00000 0.00001 0.00000 0.00000 0.00000 2 61 8 0.00000 -0.00003 0.00000 0.00000 0.00000 3 61 8 0.00000 0.00000 0.00001 0.00000 0.00002 1 62 1 -0.00003 -0.00012 -0.00003 0.00000 0.00005 2 62 1 -0.00001 0.00087 0.00006 0.00003 0.00006 3 62 1 0.00002 0.00056 -0.00005 -0.00001 -0.00011 1 63 6 -0.00001 0.00010 0.00003 -0.00001 -0.00071 2 63 6 0.00000 -0.00049 -0.00001 0.00000 0.00019 3 63 6 -0.00001 0.00007 0.00000 -0.00001 -0.00017 1 64 8 0.00000 -0.00004 -0.00001 0.00000 0.00063 2 64 8 0.00000 0.00001 0.00000 0.00000 -0.00034 3 64 8 0.00000 0.00002 0.00000 0.00000 -0.00039 1 65 8 0.00000 -0.00043 -0.00003 0.00000 0.00009 2 65 8 0.00000 -0.00103 0.00000 0.00000 -0.00006 3 65 8 0.00001 -0.00013 0.00000 0.00000 -0.00006 1 66 6 -0.00001 -0.00003 -0.00001 -0.00004 -0.02473 2 66 6 -0.00001 -0.00001 0.00010 0.00007 0.03847 3 66 6 0.00001 0.00010 0.00004 0.00011 0.08475 1 67 1 -0.00001 -0.00024 0.00016 0.00004 -0.00739 2 67 1 0.00005 0.00055 -0.00050 -0.00013 0.01445 3 67 1 -0.00002 -0.00032 0.00028 0.00009 0.01402 1 68 1 0.00010 0.00053 0.00008 0.00045 0.34679 2 68 1 0.00003 0.00008 0.00003 0.00014 0.10423 3 68 1 -0.00016 -0.00090 -0.00015 -0.00075 -0.57740 1 69 1 0.00000 -0.00006 -0.00007 -0.00007 -0.04985 2 69 1 -0.00001 -0.00036 -0.00073 -0.00081 -0.57671 3 69 1 0.00000 -0.00023 -0.00057 -0.00062 -0.43665 1 70 19 0.00001 -0.00002 0.00002 0.00000 0.00000 2 70 19 0.00001 0.00005 -0.00002 0.00000 0.00000 3 70 19 0.00000 0.00000 0.00002 0.00000 0.00000 196 197 198 199 200 A A A A A Frequencies --- 3201.1073 3210.0740 3655.5326 3671.3613 3712.2942 Reduced masses --- 1.1096 1.0915 1.0670 1.0649 1.0662 Force constants --- 6.6992 6.6265 8.4007 8.4568 8.6570 IR Intensities --- 7.2667 1.5972 347.0696 95.7716 24.1523 Coord Atom Element: 1 1 6 0.00000 -0.00271 -0.00075 0.00000 0.00005 2 1 6 0.00000 0.00035 0.00128 0.00000 -0.00002 3 1 6 0.00000 -0.00398 0.00016 0.00000 0.00009 1 2 6 0.00000 -0.00028 0.00125 0.00002 -0.00003 2 2 6 0.00001 0.00016 -0.00058 0.00000 -0.00015 3 2 6 0.00000 -0.00033 -0.00161 -0.00001 -0.00005 1 3 6 0.00000 -0.00009 -0.00017 0.00000 0.00037 2 3 6 0.00000 0.00087 0.00004 0.00000 0.00039 3 3 6 0.00000 -0.00012 0.00007 0.00000 -0.00015 1 4 6 0.00000 0.00007 -0.00006 0.00000 -0.00029 2 4 6 0.00000 -0.00034 -0.00004 0.00000 -0.00122 3 4 6 0.00000 0.00214 -0.00020 0.00000 0.00271 1 5 6 0.00001 0.04636 0.00033 0.00000 0.00021 2 5 6 -0.00001 -0.07351 -0.00035 0.00000 0.00000 3 5 6 0.00000 0.00172 0.00006 0.00000 -0.00015 1 6 1 0.00000 -0.00193 -0.00097 -0.00002 -0.00303 2 6 1 0.00000 -0.00206 -0.00035 -0.00001 0.00061 3 6 1 0.00000 0.00197 0.00008 0.00000 0.00132 1 7 1 0.00000 0.00614 0.00015 0.00000 0.00680 2 7 1 0.00000 0.00425 0.00010 -0.00001 0.00625 3 7 1 0.00000 -0.00918 0.00100 0.00001 -0.01226 1 8 1 -0.00008 -0.51390 -0.00022 0.00001 -0.00043 2 8 1 0.00013 0.85166 0.00000 0.00000 0.00037 3 8 1 0.00000 0.01713 0.00108 0.00001 -0.00037 1 9 1 0.00002 0.00167 -0.00096 0.00000 0.00065 2 9 1 -0.00006 -0.00303 0.00220 0.00002 -0.00002 3 9 1 0.00001 0.00094 0.00032 0.00001 0.00044 1 10 8 0.00000 -0.00051 0.00029 0.00000 0.00001 2 10 8 0.00000 0.00089 -0.00025 0.00000 0.00003 3 10 8 0.00000 -0.00012 0.00058 0.00000 0.00001 1 11 8 0.00000 0.00002 -0.00075 -0.00002 0.00008 2 11 8 0.00000 0.00001 -0.00018 0.00000 0.00002 3 11 8 0.00000 0.00004 0.00017 0.00000 -0.00002 1 12 8 0.00000 0.00009 -0.00010 0.00002 -0.00444 2 12 8 0.00000 -0.00010 0.00008 0.00000 0.00046 3 12 8 0.00000 0.00000 0.00004 0.00002 -0.00384 1 13 1 0.00001 -0.00041 0.00223 -0.00034 0.07105 2 13 1 0.00000 0.00037 -0.00028 0.00006 -0.00795 3 13 1 0.00000 -0.00027 0.00199 -0.00027 0.06179 1 14 8 0.00000 -0.00030 -0.00010 0.00001 -0.04164 2 14 8 0.00000 0.00009 -0.00005 0.00001 -0.02371 3 14 8 0.00000 -0.00024 0.00023 -0.00001 0.03945 1 15 1 0.00000 -0.00034 0.00188 -0.00015 0.65194 2 15 1 0.00000 -0.00155 0.00108 -0.00009 0.38120 3 15 1 0.00000 0.00008 -0.00271 0.00017 -0.64539 1 16 6 0.00000 0.00028 -0.00021 0.00002 -0.00003 2 16 6 0.00000 -0.00046 0.00033 0.00000 -0.00012 3 16 6 0.00000 0.00015 0.00025 0.00000 -0.00003 1 17 8 0.00000 -0.00004 0.00010 -0.00001 -0.00005 2 17 8 0.00000 0.00019 -0.00009 0.00000 0.00003 3 17 8 0.00000 -0.00003 -0.00014 0.00000 0.00003 1 18 8 0.00000 0.00012 -0.00013 -0.00002 0.00001 2 18 8 0.00000 0.00013 -0.00017 0.00000 0.00002 3 18 8 0.00000 0.00006 0.00000 0.00000 0.00000 1 19 6 0.00000 0.00076 -0.00010 0.00001 0.00005 2 19 6 0.00002 -0.00089 0.00002 0.00000 0.00003 3 19 6 0.00001 0.00445 0.00004 0.00000 0.00000 1 20 1 0.00002 -0.01995 0.00009 -0.00001 -0.00002 2 20 1 -0.00002 0.01985 0.00011 0.00001 0.00007 3 20 1 0.00004 -0.02624 0.00014 -0.00001 -0.00009 1 21 1 0.00000 0.00027 0.00000 -0.00001 0.00009 2 21 1 -0.00015 -0.00216 -0.00015 -0.00001 -0.00016 3 21 1 -0.00002 0.00156 0.00017 0.00000 -0.00001 1 22 1 0.00004 0.00962 0.00021 0.00000 -0.00003 2 22 1 -0.00003 -0.00752 -0.00013 0.00000 0.00000 3 22 1 -0.00012 -0.02944 -0.00051 0.00001 0.00011 1 23 6 0.00000 0.00000 -0.00011 0.00001 -0.00001 2 23 6 0.00000 -0.00001 0.00004 0.00002 -0.00001 3 23 6 0.00000 -0.00001 0.00014 0.00002 0.00000 1 24 6 -0.00003 0.00000 -0.00015 0.00006 -0.00002 2 24 6 -0.00003 -0.00002 -0.00003 0.00000 0.00000 3 24 6 -0.00006 -0.00002 0.00025 0.00001 0.00000 1 25 6 -0.00001 0.00000 0.00013 0.00000 -0.00001 2 25 6 0.00001 0.00000 -0.00008 0.00001 0.00000 3 25 6 -0.00002 0.00000 -0.00016 0.00001 0.00000 1 26 6 0.00000 0.00000 -0.00088 0.00000 0.00000 2 26 6 0.00000 -0.00002 0.00019 0.00001 -0.00001 3 26 6 0.00000 -0.00001 0.00016 0.00000 -0.00001 1 27 6 0.00000 -0.00002 0.00067 0.00001 -0.00005 2 27 6 0.00000 -0.00001 -0.00043 0.00000 0.00002 3 27 6 0.00000 -0.00001 -0.00009 0.00000 0.00002 1 28 1 0.00000 -0.00007 -0.00005 0.00002 0.00003 2 28 1 -0.00001 0.00008 -0.00038 -0.00005 0.00003 3 28 1 -0.00001 0.00006 -0.00010 -0.00004 -0.00003 1 29 1 0.00010 0.00005 -0.00075 -0.00003 0.00006 2 29 1 -0.00010 -0.00002 0.00019 0.00003 -0.00002 3 29 1 0.00022 0.00007 -0.00084 -0.00008 0.00003 1 30 1 0.00000 0.00003 0.00101 -0.00005 0.00001 2 30 1 -0.00002 0.00019 -0.00664 -0.00011 0.00012 3 30 1 0.00000 -0.00005 -0.00266 0.00000 -0.00003 1 31 1 0.00000 0.00001 -0.00147 -0.00003 0.00002 2 31 1 -0.00004 0.00014 0.00110 -0.00002 -0.00005 3 31 1 -0.00002 0.00010 -0.00177 -0.00002 -0.00002 1 32 1 0.00006 0.00003 -0.00017 0.00003 0.00001 2 32 1 0.00046 0.00017 -0.00110 0.00005 -0.00002 3 32 1 0.00065 0.00028 -0.00171 -0.00008 0.00000 1 33 8 0.00001 0.00000 0.00005 -0.00003 0.00001 2 33 8 0.00000 0.00000 0.00006 0.00000 0.00000 3 33 8 0.00000 0.00000 -0.00015 -0.00002 0.00001 1 34 8 0.00001 0.00000 0.00012 -0.00004 0.00001 2 34 8 -0.00001 0.00000 0.00008 -0.00005 0.00000 3 34 8 -0.00001 0.00000 -0.00009 -0.00001 0.00000 1 35 8 0.00000 0.00000 0.00013 -0.00002 -0.00005 2 35 8 0.00000 0.00000 -0.00008 -0.00001 0.00000 3 35 8 0.00000 0.00000 -0.00014 -0.00001 0.00000 1 36 1 0.00005 0.00001 0.00101 0.00037 0.00079 2 36 1 -0.00002 0.00000 -0.00030 0.00013 -0.00002 3 36 1 -0.00002 0.00000 -0.00031 0.00005 -0.00006 1 37 8 0.00000 0.00004 -0.06127 -0.00046 0.00023 2 37 8 0.00000 0.00001 -0.00138 -0.00001 0.00001 3 37 8 0.00000 -0.00001 0.01358 0.00010 -0.00004 1 38 1 0.00007 -0.00055 0.97559 0.00730 -0.00364 2 38 1 0.00002 -0.00004 0.03599 0.00026 -0.00016 3 38 1 -0.00003 0.00024 -0.20688 -0.00154 0.00063 1 39 6 0.00000 0.00000 0.00022 0.00001 0.00000 2 39 6 0.00001 -0.00004 -0.00013 0.00000 -0.00001 3 39 6 0.00000 -0.00004 0.00010 0.00002 0.00001 1 40 8 0.00000 -0.00001 -0.00008 -0.00001 0.00000 2 40 8 -0.00001 0.00002 0.00009 0.00000 0.00001 3 40 8 0.00000 0.00001 -0.00002 -0.00001 0.00000 1 41 8 0.00000 0.00001 -0.00008 -0.00001 0.00000 2 41 8 0.00000 0.00001 0.00003 0.00000 0.00000 3 41 8 0.00000 0.00002 -0.00007 -0.00001 0.00000 1 42 6 0.00002 0.00019 0.00010 0.00001 0.00000 2 42 6 0.00007 -0.00011 -0.00005 0.00000 -0.00001 3 42 6 0.00005 -0.00026 0.00003 0.00001 0.00001 1 43 1 0.00009 -0.00122 -0.00019 0.00001 0.00002 2 43 1 0.00004 -0.00037 0.00004 0.00001 0.00000 3 43 1 -0.00012 0.00203 -0.00001 -0.00002 -0.00004 1 44 1 -0.00033 -0.00098 -0.00054 -0.00004 0.00003 2 44 1 -0.00014 -0.00053 -0.00010 -0.00001 0.00003 3 44 1 -0.00005 -0.00037 -0.00032 -0.00001 0.00002 1 45 1 0.00005 -0.00001 -0.00001 0.00000 -0.00002 2 45 1 -0.00064 0.00214 0.00034 0.00000 0.00001 3 45 1 -0.00042 0.00133 0.00011 0.00000 0.00001 1 46 6 -0.00011 0.00000 -0.00002 -0.00005 0.00000 2 46 6 0.00018 0.00000 0.00000 0.00013 0.00000 3 46 6 -0.00019 0.00000 -0.00001 0.00005 0.00000 1 47 6 0.00016 0.00000 -0.00006 0.00149 0.00000 2 47 6 -0.00013 0.00000 -0.00001 -0.00014 0.00000 3 47 6 0.00003 0.00000 0.00002 -0.00186 0.00000 1 48 6 -0.00003 0.00000 -0.00003 -0.00077 0.00000 2 48 6 -0.00003 0.00000 -0.00001 -0.00018 0.00000 3 48 6 -0.00001 0.00000 0.00001 0.00062 0.00000 1 49 6 -0.00001 0.00000 -0.00002 0.00017 -0.00001 2 49 6 0.00001 0.00000 -0.00001 0.00007 -0.00001 3 49 6 -0.00002 0.00000 0.00003 0.00000 0.00001 1 50 6 -0.00003 0.00000 -0.00005 0.00009 0.00000 2 50 6 0.00003 0.00000 -0.00012 0.00005 0.00000 3 50 6 -0.00001 0.00000 0.00004 0.00007 0.00000 1 51 1 -0.00121 0.00001 0.00009 0.00004 0.00000 2 51 1 -0.00131 0.00001 0.00010 -0.00121 0.00000 3 51 1 0.00136 0.00000 0.00004 0.00020 0.00000 1 52 1 0.00014 0.00001 0.00005 0.00275 -0.00001 2 52 1 0.00030 0.00002 0.00028 0.00144 0.00001 3 52 1 -0.00002 -0.00001 -0.00005 -0.00308 0.00000 1 53 1 -0.00007 0.00001 0.00021 -0.00049 0.00005 2 53 1 -0.00010 0.00002 0.00022 -0.00081 0.00009 3 53 1 0.00005 -0.00001 -0.00019 0.00117 -0.00005 1 54 1 0.00072 -0.00002 -0.00013 -0.00009 0.00000 2 54 1 -0.00040 0.00002 0.00022 -0.00005 0.00000 3 54 1 0.00055 -0.00002 -0.00009 -0.00017 0.00000 1 55 1 -0.00074 0.00000 0.00007 0.00106 0.00001 2 55 1 0.00081 0.00000 0.00001 -0.00739 -0.00001 3 55 1 -0.00090 0.00000 0.00002 0.00440 0.00001 1 56 8 0.00003 0.00000 0.00003 -0.00056 0.00000 2 56 8 0.00004 0.00000 0.00000 0.00004 0.00000 3 56 8 0.00031 0.00000 0.00000 0.00021 0.00000 1 57 8 0.00004 0.00000 -0.00022 0.03263 0.00001 2 57 8 -0.00004 0.00000 0.00010 -0.01156 0.00000 3 57 8 -0.00005 0.00000 0.00038 -0.05088 -0.00001 1 58 1 -0.00013 0.00000 0.00383 -0.52831 -0.00012 2 58 1 0.00007 0.00000 -0.00151 0.19268 0.00003 3 58 1 0.00025 0.00000 -0.00615 0.82256 0.00016 1 59 8 0.00000 0.00000 0.00006 -0.00084 -0.00003 2 59 8 0.00001 0.00000 0.00002 -0.00095 -0.00003 3 59 8 0.00002 0.00000 0.00008 -0.00349 -0.00010 1 60 1 -0.00001 0.00000 -0.00067 0.01848 0.00052 2 60 1 0.00007 0.00000 -0.00042 0.01635 0.00049 3 60 1 0.00010 0.00001 -0.00141 0.05083 0.00162 1 61 8 0.00001 0.00000 -0.00019 0.00000 -0.00023 2 61 8 -0.00001 0.00000 -0.00024 -0.00003 -0.00028 3 61 8 0.00001 0.00000 0.00010 -0.00012 0.00012 1 62 1 0.00001 0.00001 0.00310 -0.00022 0.00375 2 62 1 0.00007 0.00001 0.00396 -0.00024 0.00450 3 62 1 -0.00005 -0.00001 -0.00154 0.00022 -0.00209 1 63 6 -0.00017 0.00001 -0.00010 0.00016 -0.00001 2 63 6 -0.00010 0.00000 -0.00005 -0.00010 0.00000 3 63 6 0.00020 0.00000 -0.00008 -0.00009 -0.00001 1 64 8 -0.00024 0.00000 0.00003 -0.00002 0.00000 2 64 8 -0.00069 0.00000 0.00003 0.00001 0.00000 3 64 8 0.00015 0.00000 0.00005 0.00002 0.00001 1 65 8 0.00004 0.00000 0.00007 -0.00012 0.00001 2 65 8 0.00007 0.00000 0.00004 0.00002 0.00000 3 65 8 -0.00009 0.00000 0.00001 0.00001 0.00000 1 66 6 -0.00040 0.00001 -0.00003 0.00002 0.00000 2 66 6 0.08761 -0.00002 -0.00002 -0.00001 0.00000 3 66 6 -0.03980 -0.00001 -0.00002 -0.00002 0.00000 1 67 1 0.23943 -0.00004 0.00005 0.00002 0.00001 2 67 1 -0.69922 0.00011 -0.00004 0.00009 -0.00001 3 67 1 0.37302 -0.00006 -0.00001 -0.00024 0.00000 1 68 1 -0.20523 -0.00003 0.00005 0.00020 0.00001 2 68 1 -0.03952 -0.00001 -0.00002 -0.00057 0.00000 3 68 1 0.33888 0.00005 -0.00003 -0.00012 0.00000 1 69 1 -0.02387 0.00001 0.00003 -0.00014 0.00000 2 69 1 -0.29368 0.00014 0.00015 0.00027 0.00001 3 69 1 -0.24495 0.00011 0.00012 0.00031 0.00001 1 70 19 0.00000 0.00001 0.00004 0.00001 0.00000 2 70 19 0.00000 0.00000 -0.00010 0.00000 0.00000 3 70 19 0.00000 0.00000 -0.00001 0.00000 0.00000 201 202 203 204 A A A A Frequencies --- 3713.8328 3717.3771 3722.9510 3757.8531 Reduced masses --- 1.0658 1.0652 1.0660 1.0658 Force constants --- 8.6610 8.6726 8.7055 8.8679 IR Intensities --- 46.1965 35.0532 54.3766 46.0441 Coord Atom Element: 1 1 6 0.00000 -0.00001 0.00002 -0.00002 2 1 6 0.00000 0.00001 -0.00007 0.00002 3 1 6 0.00000 0.00000 -0.00003 0.00000 1 2 6 -0.00001 -0.00004 0.00019 -0.00004 2 2 6 0.00000 0.00000 0.00009 -0.00001 3 2 6 0.00001 0.00003 0.00009 0.00003 1 3 6 0.00000 -0.00002 -0.00145 0.00000 2 3 6 0.00000 0.00000 0.00055 -0.00001 3 3 6 0.00000 -0.00001 -0.00048 0.00000 1 4 6 0.00000 0.00000 0.00036 -0.00001 2 4 6 0.00001 0.00001 0.00035 0.00000 3 4 6 -0.00001 -0.00001 0.00022 0.00000 1 5 6 0.00000 0.00000 -0.00020 0.00001 2 5 6 0.00000 0.00000 0.00006 0.00000 3 5 6 0.00000 0.00000 -0.00012 0.00000 1 6 1 0.00004 0.00005 -0.00404 0.00008 2 6 1 0.00001 0.00002 -0.00007 0.00003 3 6 1 -0.00002 0.00002 0.00552 -0.00002 1 7 1 -0.00003 -0.00005 -0.00065 -0.00001 2 7 1 -0.00002 -0.00003 -0.00173 0.00002 3 7 1 0.00004 0.00005 0.00129 -0.00001 1 8 1 0.00001 0.00001 0.00006 0.00000 2 8 1 -0.00001 -0.00001 0.00081 -0.00002 3 8 1 0.00000 0.00001 0.00083 0.00000 1 9 1 0.00000 0.00000 -0.00005 -0.00001 2 9 1 0.00000 -0.00004 0.00024 -0.00004 3 9 1 0.00000 -0.00001 0.00026 -0.00003 1 10 8 0.00000 0.00002 0.00002 0.00002 2 10 8 0.00000 -0.00001 0.00006 -0.00002 3 10 8 -0.00001 -0.00001 0.00008 -0.00001 1 11 8 0.00001 0.00005 0.00009 0.00005 2 11 8 0.00000 0.00000 0.00003 0.00000 3 11 8 -0.00001 -0.00001 0.00002 0.00000 1 12 8 0.00000 -0.00033 -0.04657 0.00007 2 12 8 0.00000 0.00004 0.00522 0.00000 3 12 8 0.00000 -0.00029 -0.04063 0.00006 1 13 1 0.00003 0.00540 0.75502 -0.00114 2 13 1 0.00000 -0.00067 -0.09172 0.00012 3 13 1 0.00003 0.00455 0.63922 -0.00099 1 14 8 0.00017 0.00025 0.00391 0.00003 2 14 8 0.00009 0.00014 0.00205 0.00001 3 14 8 -0.00016 -0.00023 -0.00389 -0.00002 1 15 1 -0.00263 -0.00384 -0.06169 -0.00043 2 15 1 -0.00152 -0.00222 -0.03610 -0.00023 3 15 1 0.00260 0.00376 0.06174 0.00038 1 16 6 0.00000 -0.00002 0.00001 -0.00002 2 16 6 0.00000 0.00001 -0.00002 0.00001 3 16 6 0.00001 0.00001 -0.00004 0.00001 1 17 8 0.00000 0.00001 -0.00001 0.00001 2 17 8 0.00000 -0.00001 0.00001 -0.00001 3 17 8 0.00000 -0.00001 0.00002 -0.00001 1 18 8 0.00000 0.00001 0.00001 0.00001 2 18 8 0.00000 0.00000 0.00001 0.00000 3 18 8 0.00000 0.00000 0.00001 0.00000 1 19 6 0.00000 -0.00001 0.00001 -0.00001 2 19 6 0.00000 0.00000 -0.00001 0.00000 3 19 6 0.00000 0.00000 -0.00001 0.00000 1 20 1 0.00000 0.00001 0.00001 0.00002 2 20 1 0.00000 0.00000 -0.00002 0.00000 3 20 1 0.00000 0.00001 -0.00002 0.00002 1 21 1 0.00000 0.00000 0.00000 0.00000 2 21 1 -0.00001 0.00000 0.00004 0.00000 3 21 1 0.00000 0.00001 -0.00004 0.00001 1 22 1 0.00000 0.00001 -0.00002 0.00001 2 22 1 0.00000 0.00000 0.00003 -0.00001 3 22 1 -0.00001 -0.00002 0.00009 -0.00003 1 23 6 0.00001 0.00000 -0.00001 -0.00003 2 23 6 0.00002 0.00000 -0.00001 0.00002 3 23 6 0.00004 0.00002 -0.00001 0.00007 1 24 6 0.00001 -0.00014 -0.00002 0.00019 2 24 6 -0.00001 0.00000 0.00000 -0.00002 3 24 6 -0.00002 -0.00005 0.00000 -0.00027 1 25 6 -0.00001 -0.00005 -0.00001 -0.00154 2 25 6 0.00005 0.00009 0.00000 -0.00058 3 25 6 0.00009 0.00017 0.00000 -0.00068 1 26 6 -0.00001 -0.00003 0.00000 0.00038 2 26 6 0.00000 0.00000 -0.00001 0.00002 3 26 6 0.00000 0.00001 -0.00001 0.00010 1 27 6 -0.00001 -0.00004 -0.00006 -0.00002 2 27 6 0.00001 0.00003 0.00002 -0.00002 3 27 6 0.00001 0.00001 0.00001 -0.00003 1 28 1 -0.00021 -0.00050 0.00004 0.00037 2 28 1 0.00009 0.00044 0.00003 0.00002 3 28 1 -0.00010 -0.00018 -0.00003 -0.00079 1 29 1 -0.00008 -0.00010 0.00007 0.00174 2 29 1 0.00000 -0.00010 -0.00002 -0.00210 3 29 1 -0.00041 -0.00074 0.00004 -0.00272 1 30 1 -0.00004 0.00002 0.00000 -0.00012 2 30 1 -0.00002 0.00004 0.00009 -0.00067 3 30 1 0.00001 0.00001 -0.00002 -0.00011 1 31 1 -0.00005 -0.00007 -0.00001 0.00016 2 31 1 -0.00010 -0.00018 -0.00002 0.00023 3 31 1 -0.00005 -0.00011 -0.00005 0.00035 1 32 1 0.00023 0.00059 0.00001 -0.00090 2 32 1 -0.00005 -0.00020 -0.00003 -0.00025 3 32 1 -0.00016 -0.00037 0.00000 0.00118 1 33 8 -0.00003 0.00002 0.00002 -0.00005 2 33 8 -0.00001 -0.00003 0.00001 -0.00003 3 33 8 -0.00001 0.00002 0.00001 0.00004 1 34 8 -0.00006 0.00001 0.00001 -0.00011 2 34 8 0.00000 0.00005 0.00001 -0.00013 3 34 8 0.00004 0.00010 -0.00001 -0.00001 1 35 8 0.00015 -0.00049 -0.00008 -0.06174 2 35 8 -0.00001 0.00002 0.00000 0.00258 3 35 8 -0.00009 -0.00009 0.00001 0.00706 1 36 1 -0.00182 0.00921 0.00138 0.99261 2 36 1 -0.00046 -0.00181 -0.00001 -0.02718 3 36 1 0.00132 0.00128 -0.00014 -0.10002 1 37 8 0.00006 0.00035 0.00016 0.00006 2 37 8 -0.00001 -0.00001 0.00001 -0.00006 3 37 8 -0.00002 -0.00009 -0.00002 -0.00006 1 38 1 -0.00083 -0.00517 -0.00247 -0.00074 2 38 1 -0.00004 -0.00017 -0.00012 0.00018 3 38 1 0.00019 0.00109 0.00037 0.00023 1 39 6 0.00000 -0.00003 -0.00001 -0.00003 2 39 6 0.00003 0.00005 -0.00003 0.00005 3 39 6 0.00000 -0.00006 0.00000 -0.00007 1 40 8 0.00000 0.00001 -0.00001 0.00002 2 40 8 -0.00002 -0.00003 0.00002 -0.00004 3 40 8 0.00000 0.00001 0.00000 0.00001 1 41 8 0.00000 0.00001 0.00001 0.00001 2 41 8 -0.00001 -0.00001 0.00001 -0.00001 3 41 8 -0.00001 0.00003 0.00000 0.00003 1 42 6 0.00000 -0.00001 0.00000 -0.00001 2 42 6 0.00001 0.00002 -0.00002 0.00002 3 42 6 0.00000 -0.00001 0.00001 -0.00001 1 43 1 0.00001 0.00001 0.00005 0.00000 2 43 1 0.00000 -0.00002 0.00002 -0.00002 3 43 1 0.00002 0.00008 -0.00007 0.00006 1 44 1 -0.00001 0.00001 0.00002 0.00004 2 44 1 -0.00001 -0.00002 -0.00002 -0.00001 3 44 1 0.00001 0.00003 0.00004 0.00003 1 45 1 0.00001 0.00003 -0.00001 0.00003 2 45 1 -0.00005 -0.00008 0.00005 -0.00009 3 45 1 -0.00003 -0.00003 0.00003 -0.00003 1 46 6 -0.00003 -0.00019 0.00000 0.00002 2 46 6 -0.00013 -0.00017 0.00000 -0.00004 3 46 6 0.00001 0.00008 0.00000 0.00002 1 47 6 0.00005 0.00010 -0.00001 0.00002 2 47 6 0.00008 -0.00021 0.00000 -0.00004 3 47 6 0.00018 -0.00022 0.00000 -0.00008 1 48 6 -0.00063 0.00041 -0.00001 -0.00011 2 48 6 -0.00008 0.00046 -0.00001 -0.00022 3 48 6 -0.00104 0.00067 0.00000 0.00011 1 49 6 -0.00050 -0.00104 0.00001 0.00003 2 49 6 -0.00055 -0.00227 0.00002 -0.00005 3 49 6 0.00107 0.00119 -0.00001 -0.00002 1 50 6 -0.00004 0.00010 -0.00001 -0.00002 2 50 6 0.00014 0.00036 -0.00001 0.00003 3 50 6 -0.00013 0.00017 0.00000 -0.00004 1 51 1 0.00016 0.00008 0.00000 0.00001 2 51 1 0.00017 0.00017 0.00000 0.00006 3 51 1 -0.00048 -0.00082 0.00001 -0.00009 1 52 1 -0.00465 0.00072 0.00001 0.00013 2 52 1 -0.00336 0.00096 0.00003 0.00147 3 52 1 0.00251 -0.00167 0.00000 -0.00053 1 53 1 0.00259 0.00507 -0.00002 -0.00010 2 53 1 0.00400 0.01287 -0.00008 0.00028 3 53 1 -0.00240 -0.00661 0.00004 -0.00005 1 54 1 -0.00034 0.00091 -0.00002 0.00006 2 54 1 -0.00016 -0.00124 0.00002 0.00027 3 54 1 0.00064 -0.00009 0.00000 -0.00011 1 55 1 -0.00052 0.00055 0.00001 -0.00011 2 55 1 0.00070 -0.00006 -0.00001 0.00008 3 55 1 -0.00008 0.00096 0.00000 0.00000 1 56 8 -0.00003 -0.00001 0.00000 -0.00003 2 56 8 0.00007 0.00000 0.00000 0.00003 3 56 8 0.00007 0.00001 0.00000 0.00002 1 57 8 -0.00167 0.00072 0.00001 -0.00001 2 57 8 0.00072 -0.00024 0.00000 0.00004 3 57 8 0.00277 -0.00112 -0.00001 0.00005 1 58 1 0.02619 -0.01122 -0.00016 0.00017 2 58 1 -0.01110 0.00426 0.00004 -0.00033 3 58 1 -0.04387 0.01817 0.00023 -0.00060 1 59 8 -0.01716 0.00701 -0.00004 -0.00006 2 59 8 -0.01557 0.00632 -0.00004 -0.00004 3 59 8 -0.05268 0.02147 -0.00015 -0.00032 1 60 1 0.28511 -0.11795 0.00077 0.00150 2 60 1 0.24986 -0.10163 0.00068 0.00117 3 60 1 0.84122 -0.34207 0.00229 0.00484 1 61 8 -0.01405 -0.03481 0.00027 0.00025 2 61 8 -0.01703 -0.04134 0.00032 0.00038 3 61 8 0.00746 0.01866 -0.00015 -0.00016 1 62 1 0.22803 0.55911 -0.00440 -0.00346 2 62 1 0.27173 0.66635 -0.00519 -0.00618 3 62 1 -0.12689 -0.31204 0.00246 0.00309 1 63 6 0.00008 0.00012 -0.00002 0.00012 2 63 6 -0.00001 0.00001 0.00000 0.00000 3 63 6 -0.00002 0.00002 -0.00001 0.00001 1 64 8 -0.00001 -0.00002 0.00001 -0.00003 2 64 8 0.00001 0.00001 0.00000 0.00000 3 64 8 0.00001 0.00001 0.00001 -0.00001 1 65 8 -0.00005 -0.00006 0.00001 -0.00008 2 65 8 0.00000 -0.00001 0.00000 -0.00002 3 65 8 0.00001 0.00001 0.00000 0.00000 1 66 6 0.00001 0.00000 -0.00001 0.00002 2 66 6 -0.00001 -0.00001 0.00000 0.00000 3 66 6 -0.00001 -0.00001 0.00000 0.00000 1 67 1 0.00000 0.00000 0.00001 -0.00003 2 67 1 0.00003 0.00002 -0.00001 0.00004 3 67 1 -0.00009 -0.00004 0.00000 -0.00007 1 68 1 -0.00001 0.00001 0.00001 -0.00004 2 68 1 -0.00010 -0.00004 0.00000 -0.00006 3 68 1 0.00006 0.00002 -0.00001 0.00004 1 69 1 -0.00003 -0.00001 0.00000 -0.00003 2 69 1 0.00012 0.00004 0.00002 0.00004 3 69 1 0.00009 0.00003 0.00001 0.00002 1 70 19 0.00000 0.00000 0.00000 0.00000 2 70 19 0.00000 0.00001 0.00000 0.00001 3 70 19 0.00000 0.00000 0.00000 0.00000 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 -- 14.6750 21.3429 25.1124 Red. masses -- 7.1034 6.1550 6.5175 Frc consts -- 0.0009 0.0017 0.0024 IR Inten -- 0.1457 0.2583 0.3535 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.01 0.07 -0.01 -0.01 0.00 0.01 0.05 0.01 2 6 0.00 0.03 0.00 -0.02 0.02 -0.05 -0.01 0.02 0.04 3 6 -0.02 0.07 0.02 -0.01 0.08 -0.08 0.00 0.05 0.02 4 6 -0.02 0.08 0.07 0.04 0.11 -0.04 0.04 0.06 0.00 5 6 0.01 0.04 0.09 0.02 0.05 0.00 0.04 0.06 0.00 6 1 -0.01 0.06 0.03 -0.03 0.08 -0.12 -0.02 0.07 0.01 7 1 -0.03 0.09 0.07 0.07 0.13 0.00 0.07 0.04 0.01 8 1 0.01 0.04 0.14 0.04 0.06 0.03 0.06 0.08 -0.02 9 1 -0.01 0.02 -0.03 -0.05 0.00 -0.08 -0.03 0.02 0.05 10 8 0.03 0.01 0.02 -0.03 -0.02 -0.03 -0.01 0.04 0.03 11 8 0.00 0.03 0.00 0.01 0.02 0.00 0.02 0.00 0.05 12 8 -0.05 0.09 0.00 0.00 0.12 -0.10 0.01 0.03 0.03 13 1 -0.07 0.11 0.02 0.02 0.17 -0.12 0.02 0.05 0.01 14 8 -0.03 0.10 0.09 0.05 0.17 -0.08 0.06 0.09 -0.03 15 1 -0.02 0.09 0.09 0.02 0.16 -0.11 0.03 0.11 -0.04 16 6 0.05 -0.02 0.09 -0.02 -0.06 0.05 0.01 0.05 0.02 17 8 0.07 -0.08 0.16 -0.02 -0.12 0.09 0.01 0.07 0.00 18 8 0.05 0.00 0.05 -0.02 -0.06 0.07 0.01 0.03 0.03 19 6 0.08 -0.12 0.19 -0.02 -0.13 0.05 0.00 0.09 -0.02 20 1 0.04 -0.12 0.22 -0.02 -0.11 0.07 0.02 0.10 -0.04 21 1 0.11 -0.12 0.16 -0.01 -0.13 0.00 -0.02 0.09 -0.02 22 1 0.11 -0.16 0.21 -0.03 -0.18 0.06 -0.02 0.11 -0.03 23 6 -0.01 -0.03 -0.06 0.03 -0.02 0.04 0.01 -0.08 0.01 24 6 0.00 0.01 -0.07 -0.01 -0.03 0.07 -0.01 -0.03 0.02 25 6 0.01 0.01 -0.05 -0.02 -0.03 0.06 0.01 -0.04 0.02 26 6 0.01 0.01 -0.03 -0.02 -0.03 0.02 0.01 -0.05 0.02 27 6 -0.01 0.00 -0.03 0.00 -0.01 0.01 0.00 -0.05 0.03 28 1 -0.01 -0.06 -0.04 0.05 -0.03 0.06 0.03 -0.10 0.05 29 1 0.02 0.02 -0.05 -0.05 -0.04 0.07 0.01 -0.03 0.02 30 1 0.01 0.01 -0.02 -0.04 -0.03 0.00 0.01 -0.05 0.02 31 1 -0.04 -0.01 -0.02 -0.01 0.00 0.01 -0.04 -0.05 0.03 32 1 -0.01 0.02 -0.08 -0.02 -0.04 0.07 -0.03 -0.03 0.02 33 8 0.00 -0.01 -0.08 0.01 -0.03 0.06 -0.01 -0.05 0.01 34 8 0.00 0.00 -0.06 0.00 -0.04 0.09 0.00 -0.01 0.03 35 8 0.00 0.00 -0.05 0.00 -0.03 0.06 0.02 -0.04 0.02 36 1 0.00 0.01 -0.06 0.00 -0.05 0.10 0.02 -0.03 0.03 37 8 0.03 0.02 -0.04 -0.04 -0.04 0.03 0.01 -0.05 0.03 38 1 0.03 0.00 -0.01 -0.04 -0.04 0.02 0.01 -0.05 0.03 39 6 0.00 -0.05 -0.09 0.07 -0.01 0.01 0.03 -0.11 -0.04 40 8 0.00 -0.04 -0.13 0.06 -0.01 0.00 0.06 -0.07 -0.12 41 8 0.01 -0.08 -0.09 0.10 -0.01 0.00 0.03 -0.17 -0.03 42 6 0.01 -0.06 -0.16 0.10 0.00 -0.03 0.09 -0.09 -0.17 43 1 0.02 -0.08 -0.16 0.14 -0.01 -0.02 0.10 -0.17 -0.19 44 1 0.01 -0.06 -0.16 0.10 0.02 -0.06 0.08 -0.07 -0.15 45 1 0.00 -0.04 -0.18 0.10 0.00 -0.04 0.12 -0.05 -0.23 46 6 -0.03 0.00 0.00 -0.02 0.02 -0.03 -0.03 0.00 0.04 47 6 -0.03 -0.02 0.10 0.01 0.06 -0.03 0.01 0.08 -0.08 48 6 0.03 -0.01 0.08 -0.01 -0.01 0.01 -0.01 0.10 -0.08 49 6 0.07 0.00 0.02 -0.05 -0.07 0.01 -0.07 0.08 -0.01 50 6 0.02 0.00 -0.03 -0.03 -0.04 0.02 -0.04 0.02 0.04 51 1 0.01 -0.01 0.03 -0.05 0.01 -0.08 -0.07 0.04 0.05 52 1 0.00 -0.01 0.05 0.02 0.00 0.07 0.04 0.07 -0.09 53 1 0.10 0.00 0.05 -0.08 -0.08 -0.05 -0.11 0.10 -0.01 54 1 0.05 0.01 -0.06 -0.05 -0.08 0.01 -0.07 0.01 0.08 55 1 -0.07 -0.03 0.13 0.04 0.10 -0.02 0.06 0.08 -0.12 56 8 -0.07 -0.01 0.05 0.03 0.07 -0.02 0.03 0.01 -0.02 57 8 0.00 -0.03 0.15 -0.03 0.06 -0.11 -0.05 0.12 -0.07 58 1 0.04 -0.03 0.17 -0.04 0.03 -0.12 -0.07 0.16 -0.10 59 8 0.07 -0.01 0.13 -0.03 -0.03 -0.01 -0.04 0.16 -0.13 60 1 0.11 -0.01 0.12 -0.05 -0.08 0.01 -0.06 0.18 -0.12 61 8 0.12 0.01 -0.01 -0.07 -0.13 0.06 -0.09 0.09 -0.01 62 1 0.09 0.02 -0.04 -0.04 -0.13 0.11 -0.04 0.05 0.00 63 6 -0.06 0.02 -0.04 -0.01 0.04 -0.04 -0.02 -0.06 0.09 64 8 -0.10 0.02 -0.02 0.02 0.12 -0.09 -0.03 -0.13 0.13 65 8 -0.05 0.03 -0.10 -0.02 -0.02 0.01 -0.02 -0.05 0.09 66 6 -0.12 0.00 0.04 0.02 0.18 -0.15 -0.03 -0.13 0.13 67 1 -0.15 0.00 0.06 0.08 0.22 -0.12 -0.01 -0.15 0.08 68 1 -0.07 -0.01 0.07 -0.02 0.16 -0.18 -0.03 -0.06 0.14 69 1 -0.14 0.00 0.05 0.02 0.22 -0.20 -0.04 -0.17 0.18 70 19 -0.04 0.00 -0.12 -0.02 -0.04 0.05 -0.02 -0.04 -0.03 4 5 6 A A A Frequencies -- 35.5963 46.8518 47.0333 Red. masses -- 6.0465 6.3280 4.9087 Frc consts -- 0.0045 0.0082 0.0064 IR Inten -- 0.7718 1.7789 0.5339 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.01 0.03 -0.02 0.06 -0.01 -0.04 0.01 0.01 2 6 0.00 0.00 0.04 0.02 0.03 0.08 0.01 0.03 0.02 3 6 0.01 0.02 0.02 0.06 0.02 0.02 0.00 -0.03 0.04 4 6 0.05 0.03 0.01 0.11 0.03 -0.05 -0.08 -0.06 0.04 5 6 0.05 0.03 0.01 0.04 0.04 -0.06 -0.08 -0.04 0.03 6 1 -0.01 0.03 0.00 0.01 0.05 0.00 0.04 -0.06 0.06 7 1 0.08 0.02 0.02 0.19 -0.01 -0.01 -0.14 -0.04 0.01 8 1 0.07 0.05 0.00 0.04 0.05 -0.10 -0.11 -0.06 0.03 9 1 -0.01 0.00 0.04 0.02 0.04 0.11 0.03 0.04 0.03 10 8 -0.01 0.00 0.04 -0.03 0.05 0.06 0.00 0.03 0.01 11 8 0.01 0.00 0.06 0.03 0.03 0.11 -0.01 0.04 0.01 12 8 0.03 0.02 0.03 0.12 -0.03 0.07 0.01 -0.03 0.04 13 1 0.05 0.04 0.00 0.18 0.01 0.00 -0.01 -0.08 0.06 14 8 0.06 0.07 -0.02 0.16 0.05 -0.15 -0.10 -0.14 0.10 15 1 0.04 0.08 -0.04 0.10 0.08 -0.20 -0.05 -0.17 0.13 16 6 0.02 0.01 0.03 -0.09 0.07 0.01 -0.04 0.04 -0.01 17 8 0.02 0.12 -0.05 -0.15 -0.06 0.05 -0.05 0.02 0.00 18 8 0.03 -0.09 0.11 -0.12 0.18 -0.01 -0.05 0.07 -0.03 19 6 -0.03 0.25 -0.12 -0.09 -0.22 0.02 -0.03 -0.03 0.04 20 1 0.06 0.34 -0.13 -0.13 -0.36 -0.06 -0.07 -0.06 0.04 21 1 -0.13 0.26 -0.16 0.04 -0.24 0.12 0.00 -0.03 0.07 22 1 -0.04 0.25 -0.13 -0.17 -0.17 -0.02 -0.02 -0.02 0.04 23 6 -0.02 -0.02 -0.01 -0.01 0.01 0.03 0.00 0.02 -0.01 24 6 0.02 -0.06 -0.05 0.03 0.01 -0.02 0.00 -0.04 0.00 25 6 0.03 -0.07 -0.09 0.04 0.01 0.00 -0.01 -0.04 -0.05 26 6 0.03 -0.09 -0.04 0.05 0.00 0.03 -0.01 -0.03 -0.04 27 6 -0.01 -0.03 -0.01 0.01 0.01 0.05 -0.02 0.02 -0.03 28 1 -0.04 -0.01 -0.04 -0.02 0.01 0.01 0.00 0.01 -0.01 29 1 0.06 -0.11 -0.11 0.07 0.02 -0.01 -0.01 -0.08 -0.06 30 1 0.05 -0.10 -0.08 0.06 -0.01 0.03 -0.02 -0.03 -0.07 31 1 -0.06 -0.01 -0.04 -0.02 0.01 0.04 -0.04 0.04 -0.06 32 1 0.03 -0.09 -0.03 0.06 0.01 -0.03 0.00 -0.06 0.01 33 8 0.00 -0.04 -0.01 0.00 0.01 0.01 0.01 -0.01 0.01 34 8 0.01 -0.03 -0.06 0.00 0.01 -0.08 0.01 -0.02 0.00 35 8 0.01 -0.03 -0.13 0.02 0.01 0.00 -0.02 -0.01 -0.08 36 1 0.00 -0.04 -0.15 0.02 0.04 -0.05 -0.02 -0.03 -0.07 37 8 0.05 -0.13 0.00 0.04 -0.02 0.05 0.00 -0.05 -0.01 38 1 0.06 -0.13 0.03 0.04 -0.03 0.05 0.00 -0.05 -0.01 39 6 -0.04 0.00 0.03 -0.05 -0.01 0.05 0.04 0.05 -0.01 40 8 0.00 0.00 0.06 0.04 0.03 0.01 0.18 0.11 -0.07 41 8 -0.09 0.02 0.05 -0.15 -0.05 0.10 -0.03 0.03 0.02 42 6 -0.01 0.02 0.10 0.02 0.03 0.02 0.29 0.16 -0.10 43 1 -0.05 0.01 0.07 -0.06 -0.07 -0.04 0.29 0.03 -0.13 44 1 -0.03 0.05 0.15 -0.02 0.08 0.15 0.23 0.29 -0.05 45 1 0.05 0.02 0.10 0.15 0.07 -0.03 0.44 0.21 -0.16 46 6 -0.04 0.00 -0.02 0.00 -0.01 -0.04 -0.01 -0.01 0.01 47 6 -0.02 0.04 0.04 -0.02 -0.05 -0.01 0.01 0.02 0.00 48 6 0.03 0.02 0.03 -0.01 -0.02 -0.03 0.01 0.01 0.01 49 6 0.04 0.00 0.00 0.02 0.01 -0.05 0.00 -0.01 0.01 50 6 0.00 -0.02 -0.04 0.01 0.01 -0.06 0.00 -0.02 0.01 51 1 -0.04 0.00 -0.02 0.03 -0.02 -0.02 -0.02 -0.01 0.00 52 1 0.04 0.02 0.02 -0.03 -0.02 -0.06 0.03 0.00 0.01 53 1 0.03 0.01 0.01 0.05 0.01 -0.02 -0.01 -0.01 0.00 54 1 0.00 -0.03 -0.06 0.02 0.02 -0.06 -0.01 -0.02 0.01 55 1 -0.02 0.05 0.06 -0.06 -0.08 0.00 0.02 0.03 0.01 56 8 -0.05 0.02 0.01 -0.04 -0.04 -0.03 0.01 0.00 0.01 57 8 -0.02 0.05 0.06 0.01 -0.07 0.03 -0.01 0.03 0.00 58 1 0.00 0.05 0.08 0.03 -0.06 0.04 -0.01 0.03 0.00 59 8 0.06 0.04 0.06 0.01 -0.03 -0.01 0.01 0.02 0.01 60 1 0.09 0.03 0.06 0.03 0.00 -0.02 0.01 0.01 0.01 61 8 0.09 -0.01 -0.02 0.04 0.04 -0.07 0.01 -0.02 0.01 62 1 0.08 -0.01 -0.04 0.03 0.03 -0.10 0.01 -0.02 0.02 63 6 -0.07 0.00 -0.05 -0.01 0.00 -0.06 -0.01 -0.02 0.01 64 8 -0.08 0.06 -0.07 -0.03 -0.03 -0.03 0.00 0.01 -0.01 65 8 -0.07 -0.05 -0.05 0.00 0.03 -0.09 -0.02 -0.05 0.03 66 6 -0.08 0.11 -0.07 -0.03 -0.07 0.01 0.00 0.05 -0.04 67 1 -0.06 0.13 -0.04 -0.07 -0.09 0.00 0.03 0.07 -0.03 68 1 -0.09 0.09 -0.08 0.00 -0.07 0.03 -0.02 0.05 -0.05 69 1 -0.11 0.13 -0.10 -0.03 -0.09 0.02 -0.01 0.06 -0.06 70 19 -0.02 -0.12 0.04 -0.03 -0.01 0.02 -0.01 -0.03 0.01 7 8 9 A A A Frequencies -- 52.5757 55.0521 59.5262 Red. masses -- 6.1157 6.0297 6.8635 Frc consts -- 0.0100 0.0108 0.0143 IR Inten -- 3.0830 0.6366 3.8635 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.08 -0.03 0.00 0.05 -0.02 -0.05 0.02 0.04 2 6 -0.01 0.04 0.01 -0.01 0.02 0.01 0.03 0.07 0.03 3 6 -0.02 0.02 0.03 -0.02 0.02 0.02 0.05 0.03 0.01 4 6 -0.02 0.02 0.00 -0.01 0.02 -0.01 -0.05 0.00 0.04 5 6 -0.01 0.05 -0.03 0.00 0.04 -0.02 -0.08 -0.02 0.05 6 1 -0.02 0.05 0.06 -0.03 0.04 0.04 0.08 -0.04 -0.02 7 1 -0.03 -0.01 -0.03 0.00 -0.01 -0.02 -0.11 0.05 0.04 8 1 -0.01 0.05 -0.04 0.00 0.04 -0.03 -0.14 -0.05 0.06 9 1 -0.02 0.04 0.04 -0.02 0.02 0.04 0.05 0.08 0.03 10 8 0.02 0.09 -0.01 0.00 0.05 0.00 0.01 0.06 0.02 11 8 0.00 -0.01 -0.03 -0.01 0.00 -0.01 0.04 0.08 0.04 12 8 -0.05 -0.02 0.05 -0.04 -0.02 0.04 0.12 0.09 -0.01 13 1 -0.06 -0.04 0.06 -0.04 -0.02 0.04 0.09 0.00 0.01 14 8 -0.03 0.00 0.01 0.00 0.02 -0.01 -0.06 -0.09 0.07 15 1 -0.02 0.03 0.04 -0.01 0.04 0.00 -0.02 -0.14 0.08 16 6 -0.01 0.10 -0.04 -0.02 0.07 -0.02 -0.10 0.04 0.04 17 8 -0.02 0.02 0.01 -0.03 0.01 0.01 -0.13 0.04 0.00 18 8 -0.02 0.19 -0.10 -0.03 0.12 -0.05 -0.11 0.05 0.08 19 6 0.03 -0.11 0.07 0.00 -0.07 0.03 -0.13 0.04 -0.02 20 1 -0.04 -0.24 0.03 -0.04 -0.16 0.00 -0.12 0.08 0.01 21 1 0.13 -0.14 0.17 0.07 -0.09 0.10 -0.13 0.05 -0.08 22 1 0.02 -0.06 0.06 -0.02 -0.03 0.02 -0.13 -0.02 -0.01 23 6 0.01 -0.03 -0.02 -0.02 -0.02 -0.04 0.05 0.01 0.01 24 6 0.01 -0.07 0.00 -0.02 -0.01 -0.03 0.03 0.01 0.00 25 6 -0.01 -0.07 -0.03 0.00 -0.02 -0.06 0.03 0.00 0.00 26 6 -0.01 -0.04 -0.03 0.00 -0.04 -0.05 0.03 0.00 0.00 27 6 -0.01 -0.02 -0.03 -0.02 -0.02 -0.03 0.02 0.04 0.01 28 1 -0.02 -0.02 -0.05 -0.02 -0.03 -0.04 0.08 -0.02 0.06 29 1 -0.02 -0.09 -0.03 0.01 -0.03 -0.07 0.03 0.00 0.00 30 1 -0.03 -0.04 -0.04 0.01 -0.05 -0.06 0.04 -0.01 -0.03 31 1 -0.02 -0.02 -0.03 -0.04 -0.01 -0.04 -0.02 0.05 -0.01 32 1 -0.02 -0.08 0.01 -0.04 -0.02 -0.03 0.07 0.00 0.00 33 8 0.04 -0.06 -0.02 -0.02 -0.02 -0.04 0.01 0.02 0.04 34 8 0.04 -0.07 0.05 -0.01 0.02 -0.01 0.01 0.00 -0.05 35 8 -0.03 -0.06 -0.04 0.00 0.00 -0.08 0.03 0.00 0.00 36 1 -0.03 -0.10 -0.02 0.00 0.01 -0.08 0.03 0.03 -0.03 37 8 0.00 -0.04 -0.03 0.00 -0.06 -0.03 0.02 -0.04 0.03 38 1 0.00 -0.03 -0.03 0.00 -0.06 -0.03 0.03 -0.05 0.04 39 6 0.01 0.02 0.02 -0.04 -0.04 -0.04 0.12 0.01 -0.06 40 8 -0.05 -0.04 0.12 -0.07 -0.05 -0.05 -0.09 -0.07 0.00 41 8 0.06 0.11 -0.02 -0.03 -0.06 -0.04 0.35 0.07 -0.16 42 6 -0.10 -0.02 0.20 -0.13 -0.09 -0.04 -0.07 -0.09 -0.04 43 1 -0.09 0.13 0.24 -0.15 -0.07 -0.05 0.11 0.14 0.11 44 1 -0.06 -0.07 0.13 -0.11 -0.14 -0.02 0.05 -0.23 -0.32 45 1 -0.19 -0.08 0.30 -0.16 -0.09 -0.04 -0.37 -0.18 0.08 46 6 0.00 -0.02 0.00 0.02 -0.02 0.07 0.00 -0.01 -0.03 47 6 0.07 0.11 -0.02 0.00 -0.04 0.04 -0.01 -0.04 -0.02 48 6 0.09 0.04 0.02 -0.01 0.01 0.01 0.00 -0.01 -0.03 49 6 0.02 -0.06 0.02 0.01 0.06 0.04 0.02 0.01 -0.04 50 6 0.02 -0.07 0.02 0.00 0.03 0.05 0.01 0.00 -0.04 51 1 -0.06 0.01 -0.02 0.03 -0.02 0.08 0.02 -0.01 -0.02 52 1 0.15 0.02 0.06 -0.03 0.01 -0.03 -0.02 -0.01 -0.06 53 1 -0.04 -0.05 -0.03 0.02 0.07 0.08 0.03 0.01 -0.01 54 1 0.00 -0.10 0.01 0.01 0.05 0.07 0.01 0.01 -0.04 55 1 0.14 0.17 -0.01 -0.02 -0.08 0.02 -0.04 -0.06 -0.01 56 8 0.06 0.05 0.00 0.01 -0.04 0.05 -0.02 -0.03 -0.03 57 8 -0.02 0.15 -0.07 0.03 -0.05 0.09 0.01 -0.05 0.01 58 1 -0.02 0.17 -0.07 0.02 -0.04 0.07 0.02 -0.05 0.01 59 8 0.08 0.08 0.00 -0.01 0.03 0.01 0.01 -0.02 -0.02 60 1 0.07 0.02 0.02 -0.02 0.07 0.00 0.02 0.01 -0.03 61 8 0.03 -0.13 0.06 0.01 0.12 0.00 0.03 0.04 -0.06 62 1 0.06 -0.13 0.11 -0.01 0.11 -0.04 0.02 0.03 -0.09 63 6 -0.02 -0.05 0.00 0.06 -0.01 0.11 -0.01 -0.01 -0.04 64 8 -0.06 -0.06 0.02 0.15 0.11 0.00 -0.01 -0.02 -0.03 65 8 -0.02 -0.07 -0.03 0.03 -0.12 0.24 0.00 0.00 -0.05 66 6 -0.07 -0.01 0.05 0.17 0.18 -0.16 -0.01 -0.04 -0.01 67 1 -0.03 0.00 0.03 0.25 0.23 -0.12 -0.03 -0.05 -0.01 68 1 -0.06 0.03 0.06 0.08 0.12 -0.23 0.00 -0.04 0.00 69 1 -0.11 -0.02 0.06 0.22 0.24 -0.24 -0.01 -0.05 0.00 70 19 0.01 -0.01 -0.08 0.02 -0.05 0.01 -0.04 -0.07 0.08 10 11 12 A A A Frequencies -- 70.8315 78.6791 79.9310 Red. masses -- 6.3822 6.6027 8.5128 Frc consts -- 0.0189 0.0241 0.0320 IR Inten -- 0.3545 3.0938 4.0002 Atom AN X Y Z X Y Z X Y Z 1 6 0.11 0.05 -0.03 -0.03 -0.02 -0.01 -0.04 -0.03 0.02 2 6 0.03 -0.04 0.00 -0.04 -0.02 -0.01 0.03 0.01 0.03 3 6 -0.02 -0.03 0.08 -0.03 0.00 -0.02 0.10 0.01 -0.07 4 6 0.08 -0.01 -0.01 -0.02 0.00 -0.01 0.01 -0.02 0.00 5 6 0.13 0.04 -0.04 -0.02 -0.01 -0.01 -0.04 -0.05 0.02 6 1 -0.03 0.08 0.17 -0.04 0.00 -0.04 0.09 -0.11 -0.19 7 1 0.12 -0.09 -0.03 -0.02 0.01 0.00 -0.01 0.06 0.03 8 1 0.15 0.06 -0.06 -0.01 0.00 0.00 -0.04 -0.04 0.02 9 1 0.01 -0.03 0.04 -0.05 -0.03 -0.01 0.04 0.01 0.01 10 8 0.09 0.03 -0.01 -0.04 -0.03 -0.01 -0.05 -0.04 0.03 11 8 0.00 -0.08 -0.08 -0.02 -0.03 0.01 0.05 0.06 0.12 12 8 -0.14 -0.16 0.13 -0.03 0.01 -0.03 0.26 0.14 -0.11 13 1 -0.14 -0.12 0.14 -0.03 0.02 -0.03 0.28 0.07 -0.14 14 8 0.08 0.05 -0.01 -0.02 0.02 -0.02 0.02 -0.07 -0.02 15 1 0.05 0.13 0.01 -0.03 0.02 -0.03 0.04 -0.14 -0.05 16 6 0.09 0.04 -0.02 0.00 -0.02 -0.02 0.03 0.01 -0.04 17 8 0.06 0.00 -0.02 0.02 -0.01 0.00 0.10 0.06 0.00 18 8 0.07 0.07 0.00 0.00 -0.03 -0.04 0.05 0.01 -0.14 19 6 0.08 -0.06 -0.03 0.01 0.01 0.02 0.10 0.06 0.12 20 1 0.08 -0.19 -0.11 0.00 0.02 0.03 0.04 0.02 0.13 21 1 0.15 -0.09 0.09 0.00 0.01 0.02 0.09 0.05 0.20 22 1 0.03 0.03 -0.07 0.03 0.01 0.03 0.17 0.13 0.14 23 6 0.02 0.00 0.02 0.00 -0.04 0.05 0.02 -0.01 0.04 24 6 -0.02 -0.02 0.04 0.02 -0.05 0.01 0.01 -0.03 0.05 25 6 0.00 -0.03 -0.01 -0.03 -0.02 0.09 0.03 -0.05 -0.01 26 6 0.00 -0.05 -0.03 -0.03 0.04 0.09 0.04 -0.07 0.01 27 6 0.02 -0.04 -0.04 -0.01 -0.02 0.06 0.01 0.00 0.03 28 1 0.06 0.03 0.03 -0.01 -0.05 0.05 0.02 -0.01 0.03 29 1 -0.01 -0.05 0.00 -0.04 0.02 0.11 0.05 -0.09 -0.03 30 1 0.01 -0.06 -0.06 -0.06 0.06 0.13 0.04 -0.08 -0.03 31 1 0.07 -0.03 -0.06 0.01 -0.05 0.10 -0.05 0.02 0.00 32 1 -0.01 -0.04 0.05 0.09 -0.02 -0.02 -0.01 -0.06 0.06 33 8 -0.03 -0.01 0.07 0.01 -0.04 0.03 0.01 -0.03 0.05 34 8 -0.03 0.02 0.00 -0.01 -0.09 -0.07 0.00 0.01 0.04 35 8 0.04 0.00 -0.02 -0.06 -0.09 0.15 0.03 0.00 -0.05 36 1 0.04 0.02 -0.01 -0.07 -0.06 0.08 0.03 -0.01 -0.04 37 8 -0.01 -0.08 -0.02 -0.02 0.09 0.04 0.05 -0.11 0.05 38 1 -0.01 -0.08 -0.02 -0.02 0.11 0.04 0.05 -0.07 0.03 39 6 0.08 0.03 0.00 0.03 -0.01 0.05 0.02 0.01 0.05 40 8 0.01 0.00 0.04 0.03 -0.02 0.08 0.02 0.00 0.08 41 8 0.19 0.10 -0.06 0.07 0.04 0.02 0.02 0.04 0.05 42 6 0.11 0.05 0.01 0.10 0.03 0.07 0.00 0.01 0.11 43 1 0.26 0.16 0.11 0.17 0.07 0.12 0.00 0.05 0.12 44 1 0.15 0.05 -0.19 0.11 0.06 -0.02 0.01 0.00 0.10 45 1 0.00 0.00 0.09 0.08 0.00 0.12 -0.01 -0.01 0.14 46 6 -0.06 0.02 0.00 -0.04 -0.09 -0.01 -0.03 0.01 0.03 47 6 -0.11 -0.05 0.01 -0.03 -0.05 0.02 -0.07 -0.06 0.00 48 6 -0.11 -0.01 -0.01 0.06 0.07 -0.08 -0.11 -0.03 -0.01 49 6 -0.08 0.04 -0.01 0.00 0.03 -0.04 -0.07 0.04 0.01 50 6 -0.07 0.03 0.00 -0.03 -0.07 -0.04 -0.04 0.03 0.04 51 1 -0.03 0.00 0.01 0.00 -0.11 0.00 -0.03 0.01 0.04 52 1 -0.15 -0.01 -0.04 0.15 -0.01 -0.22 -0.16 -0.01 -0.01 53 1 -0.05 0.04 0.02 -0.05 0.09 0.02 -0.04 0.03 0.03 54 1 -0.08 0.02 0.01 -0.04 -0.07 -0.02 -0.07 0.02 0.06 55 1 -0.15 -0.09 0.01 -0.07 -0.11 -0.01 -0.09 -0.09 -0.02 56 8 -0.10 -0.01 0.01 -0.09 -0.13 -0.01 -0.04 -0.01 0.02 57 8 -0.05 -0.08 0.04 -0.02 -0.01 0.19 -0.02 -0.09 -0.01 58 1 -0.05 -0.09 0.04 0.00 0.10 0.17 -0.04 -0.11 -0.02 59 8 -0.11 -0.04 0.00 0.11 0.28 -0.07 -0.13 -0.09 -0.01 60 1 -0.11 0.00 -0.01 0.17 0.31 -0.10 -0.15 -0.04 -0.02 61 8 -0.09 0.08 -0.03 0.07 0.07 -0.09 -0.11 0.09 -0.01 62 1 -0.09 0.07 -0.06 0.12 0.00 -0.15 -0.11 0.08 -0.02 63 6 -0.06 0.04 -0.01 -0.01 -0.03 -0.03 -0.03 0.01 0.04 64 8 -0.07 0.05 -0.02 0.04 0.03 -0.09 -0.03 0.04 0.01 65 8 -0.06 0.04 -0.03 -0.02 -0.02 0.01 -0.04 -0.03 0.06 66 6 -0.07 0.02 0.00 0.05 -0.01 -0.14 -0.02 0.06 -0.02 67 1 -0.10 0.02 0.01 0.03 0.01 -0.10 0.00 0.07 -0.01 68 1 -0.05 0.00 0.00 0.03 -0.07 -0.16 -0.04 0.05 -0.03 69 1 -0.05 0.03 -0.01 0.10 0.02 -0.18 -0.01 0.07 -0.03 70 19 0.01 0.01 0.03 0.00 0.05 -0.05 -0.06 0.04 -0.22 13 14 15 A A A Frequencies -- 85.5648 92.9349 100.2066 Red. masses -- 6.2372 1.2028 5.0056 Frc consts -- 0.0269 0.0061 0.0296 IR Inten -- 8.9302 0.8410 2.9123 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.02 0.04 0.01 -0.01 0.01 0.06 0.05 -0.04 2 6 0.02 -0.01 0.04 0.00 0.00 0.00 0.03 0.03 -0.06 3 6 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 0.06 -0.03 4 6 0.07 -0.01 0.02 0.00 0.00 0.01 -0.05 0.04 0.01 5 6 0.04 -0.02 0.02 0.02 0.00 0.01 0.05 0.06 -0.02 6 1 -0.01 0.03 0.12 0.00 0.00 -0.01 0.03 0.05 0.00 7 1 0.14 -0.05 0.05 0.00 0.00 0.00 -0.17 0.04 -0.09 8 1 0.02 -0.03 0.02 0.04 0.01 0.00 0.04 0.06 0.01 9 1 0.04 0.00 0.04 0.00 -0.01 -0.01 -0.01 0.02 -0.05 10 8 0.04 0.00 0.04 -0.01 -0.02 0.01 0.07 0.06 -0.06 11 8 -0.01 0.00 0.00 0.00 0.01 0.01 0.05 -0.03 -0.09 12 8 -0.04 -0.11 0.11 0.00 0.01 0.00 -0.06 0.07 -0.05 13 1 -0.02 -0.05 0.09 0.00 0.00 0.00 -0.13 -0.01 0.03 14 8 0.11 0.03 -0.05 -0.01 0.01 0.03 -0.14 -0.01 0.18 15 1 0.05 0.07 -0.08 0.00 0.01 0.03 -0.04 0.00 0.28 16 6 -0.04 -0.05 0.09 0.00 -0.01 0.01 0.00 0.02 0.01 17 8 -0.08 -0.07 0.06 -0.01 0.02 -0.03 -0.07 -0.04 -0.02 18 8 -0.05 -0.07 0.17 0.00 -0.04 0.05 -0.02 0.03 0.10 19 6 -0.12 0.04 -0.11 0.00 -0.03 -0.04 -0.07 -0.04 -0.15 20 1 -0.05 0.36 0.06 0.08 -0.46 -0.41 -0.02 0.01 -0.15 21 1 -0.23 0.11 -0.48 0.10 -0.12 0.52 -0.06 -0.03 -0.23 22 1 -0.12 -0.26 -0.03 -0.17 0.47 -0.22 -0.14 -0.12 -0.15 23 6 -0.01 0.02 -0.02 -0.01 0.00 0.00 0.06 -0.03 -0.01 24 6 0.00 0.01 -0.02 0.00 0.00 0.00 0.03 0.00 0.03 25 6 -0.01 0.02 -0.01 0.00 0.01 0.00 0.04 0.00 0.05 26 6 0.00 0.05 0.00 0.00 0.01 0.00 0.03 -0.01 0.00 27 6 0.00 0.02 0.00 -0.01 0.01 0.01 0.06 -0.04 -0.02 28 1 -0.03 0.01 -0.04 -0.01 0.00 0.00 0.07 -0.01 -0.02 29 1 0.00 0.02 -0.02 0.00 0.01 0.00 0.00 0.03 0.08 30 1 -0.02 0.07 0.03 0.00 0.01 0.01 0.03 -0.01 0.01 31 1 0.01 0.01 0.01 -0.01 0.01 0.01 0.08 -0.05 -0.01 32 1 -0.01 0.02 -0.03 0.00 0.01 -0.01 0.02 0.02 0.02 33 8 0.02 0.01 -0.05 0.00 0.00 -0.01 0.04 -0.02 0.00 34 8 0.01 0.00 0.00 0.00 0.00 0.00 0.04 0.01 0.04 35 8 -0.04 0.01 -0.02 -0.01 0.00 0.00 0.09 -0.02 0.09 36 1 -0.04 -0.01 -0.02 -0.01 0.00 0.00 0.09 0.02 0.10 37 8 0.02 0.09 -0.03 0.00 0.02 0.00 0.00 0.00 -0.02 38 1 0.03 0.05 0.04 0.01 0.01 0.01 0.00 -0.04 -0.01 39 6 0.01 0.04 -0.01 0.00 0.01 0.00 0.02 -0.03 0.03 40 8 -0.02 0.02 0.02 -0.01 0.00 0.00 0.09 -0.02 0.04 41 8 0.05 0.10 -0.04 0.01 0.01 -0.01 -0.08 -0.05 0.07 42 6 0.04 0.07 0.01 0.00 0.01 -0.01 -0.02 -0.04 0.12 43 1 0.13 0.14 0.08 0.02 0.02 0.00 -0.25 -0.20 -0.03 44 1 0.07 0.07 -0.11 0.01 0.01 -0.03 -0.11 0.04 0.43 45 1 -0.03 0.03 0.07 -0.01 0.00 0.00 0.23 0.04 0.03 46 6 0.02 -0.01 0.02 0.00 0.00 0.00 0.01 0.02 0.00 47 6 0.04 0.00 -0.02 0.01 0.00 0.00 -0.01 -0.04 -0.01 48 6 0.02 -0.02 0.00 0.01 0.00 0.00 -0.03 0.00 -0.02 49 6 0.02 -0.01 0.01 0.01 0.00 0.00 -0.01 0.04 -0.01 50 6 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 0.02 0.01 51 1 0.00 0.00 0.03 0.00 0.00 0.00 0.02 0.01 0.01 52 1 0.00 -0.01 0.03 0.01 0.00 0.01 -0.05 0.00 -0.04 53 1 0.03 -0.01 0.01 0.01 0.00 0.00 0.00 0.04 0.02 54 1 0.03 0.00 0.02 0.01 0.00 0.00 -0.02 0.00 0.03 55 1 0.06 0.01 -0.02 0.01 0.01 0.00 -0.04 -0.07 -0.01 56 8 0.05 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57 8 0.02 0.00 -0.05 0.00 0.00 -0.01 0.04 -0.06 0.01 58 1 0.01 -0.01 -0.05 0.00 0.00 -0.01 0.02 -0.07 0.00 59 8 0.00 -0.05 -0.01 0.01 -0.01 0.00 -0.04 -0.02 -0.03 60 1 -0.02 -0.05 0.00 0.00 -0.01 0.00 -0.05 0.03 -0.04 61 8 0.01 0.00 0.01 0.01 -0.01 0.00 -0.03 0.08 -0.03 62 1 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.05 -0.05 63 6 0.02 -0.05 0.05 0.00 -0.01 0.01 0.00 0.03 -0.01 64 8 0.04 -0.03 0.03 0.01 -0.01 0.00 -0.01 0.04 -0.01 65 8 0.01 -0.10 0.10 0.00 -0.01 0.01 0.01 0.03 -0.03 66 6 0.05 0.03 -0.03 0.01 0.00 -0.01 -0.01 0.01 0.02 67 1 0.11 0.04 -0.04 0.02 0.00 -0.01 -0.04 0.00 0.03 68 1 0.01 0.05 -0.06 0.00 0.01 -0.01 0.01 0.00 0.03 69 1 0.05 0.03 -0.04 0.01 0.00 -0.01 -0.01 0.01 0.02 70 19 -0.13 0.04 -0.18 -0.02 0.00 -0.02 -0.04 -0.06 -0.07 16 17 18 A A A Frequencies -- 110.7556 115.3634 124.7429 Red. masses -- 5.8191 7.1586 2.4135 Frc consts -- 0.0421 0.0561 0.0221 IR Inten -- 1.9870 6.6357 3.8002 Atom AN X Y Z X Y Z X Y Z 1 6 0.08 0.02 -0.01 -0.03 -0.01 0.02 0.00 -0.01 0.02 2 6 0.07 0.03 -0.01 -0.01 0.00 0.02 0.04 0.02 -0.01 3 6 0.07 0.00 -0.01 -0.01 -0.01 0.02 0.03 -0.01 0.02 4 6 0.04 -0.01 0.00 0.00 0.00 0.01 0.03 -0.01 0.01 5 6 0.09 0.02 -0.02 -0.02 -0.01 0.02 -0.03 -0.04 0.03 6 1 0.08 -0.02 -0.01 -0.01 0.00 0.03 0.04 -0.01 0.03 7 1 -0.02 -0.02 -0.05 0.03 -0.01 0.03 0.06 0.01 0.06 8 1 0.08 0.02 -0.02 -0.02 -0.01 0.01 -0.07 -0.06 0.05 9 1 0.09 0.03 -0.02 0.00 0.00 0.02 0.06 0.03 0.00 10 8 0.07 0.02 -0.01 -0.02 -0.01 0.02 0.05 0.03 0.00 11 8 0.04 0.05 -0.02 -0.01 0.01 0.02 0.01 0.02 -0.04 12 8 0.11 0.01 0.00 -0.01 -0.02 0.03 0.02 -0.02 0.02 13 1 0.09 -0.06 0.01 0.01 0.00 0.02 0.04 0.02 0.01 14 8 0.00 -0.04 0.09 0.02 0.01 -0.03 0.07 -0.02 -0.06 15 1 0.05 -0.05 0.14 0.00 0.01 -0.05 0.03 -0.04 -0.11 16 6 0.04 0.00 0.02 -0.03 -0.01 0.03 0.00 0.01 0.01 17 8 0.01 -0.04 0.01 -0.02 -0.01 0.03 0.01 0.06 -0.03 18 8 0.03 0.02 0.07 -0.02 -0.01 0.02 0.01 -0.01 0.01 19 6 0.00 -0.03 -0.10 -0.04 0.03 -0.01 0.03 0.02 0.09 20 1 0.05 0.04 -0.09 0.01 -0.01 -0.07 -0.03 -0.06 0.09 21 1 -0.01 -0.01 -0.19 -0.06 0.02 0.06 0.06 0.00 0.17 22 1 -0.05 -0.11 -0.10 -0.08 0.10 -0.04 0.09 0.07 0.10 23 6 0.04 0.08 0.03 -0.02 0.01 -0.02 0.02 0.02 -0.04 24 6 -0.01 -0.03 0.04 -0.04 0.02 0.04 0.00 0.02 -0.01 25 6 -0.01 -0.04 -0.04 -0.01 0.00 -0.03 -0.02 0.03 0.03 26 6 0.00 -0.02 -0.04 -0.01 -0.06 -0.05 -0.02 0.05 -0.01 27 6 0.03 0.04 -0.04 -0.02 0.00 -0.03 0.01 0.03 -0.03 28 1 0.09 0.11 0.05 -0.02 0.01 -0.02 0.02 0.01 -0.03 29 1 -0.01 -0.10 -0.06 -0.01 -0.04 -0.04 -0.05 0.07 0.05 30 1 -0.03 -0.03 -0.08 0.02 -0.08 -0.10 -0.03 0.06 0.00 31 1 0.03 0.08 -0.09 -0.05 0.02 -0.06 0.02 0.02 -0.02 32 1 0.02 -0.08 0.07 -0.10 0.02 0.05 -0.01 0.04 -0.02 33 8 -0.01 0.04 0.10 -0.02 0.00 -0.02 0.02 0.02 -0.03 34 8 -0.03 -0.04 0.00 0.00 0.04 0.12 0.00 0.00 0.01 35 8 -0.02 0.01 -0.10 0.04 0.07 -0.08 0.00 -0.01 0.07 36 1 -0.02 -0.04 -0.06 0.05 0.02 0.01 0.01 -0.01 0.09 37 8 0.02 -0.05 -0.01 -0.03 -0.11 0.00 -0.03 0.07 -0.04 38 1 0.03 -0.04 0.00 -0.03 -0.11 -0.02 -0.03 0.05 -0.02 39 6 0.03 0.04 0.01 -0.02 0.01 -0.02 0.03 0.03 -0.04 40 8 0.01 0.07 -0.06 -0.02 0.01 -0.01 0.02 0.02 -0.02 41 8 0.00 -0.05 0.04 -0.01 0.02 -0.02 0.03 0.04 -0.04 42 6 -0.15 -0.06 -0.07 0.00 0.02 -0.02 -0.05 0.00 0.03 43 1 -0.35 -0.23 -0.21 0.05 0.09 0.03 -0.36 -0.33 -0.19 44 1 -0.19 -0.10 0.21 0.02 0.00 -0.10 -0.21 0.17 0.49 45 1 -0.02 0.04 -0.22 -0.07 -0.01 0.02 0.35 0.15 -0.15 46 6 -0.05 -0.05 -0.01 0.06 0.02 0.00 -0.02 -0.01 0.00 47 6 -0.04 -0.01 0.01 0.00 -0.05 0.03 -0.02 -0.01 0.00 48 6 0.01 0.00 -0.01 0.02 0.04 -0.04 -0.01 0.00 -0.01 49 6 -0.04 -0.07 -0.01 -0.07 -0.04 0.01 -0.02 -0.01 -0.01 50 6 -0.04 -0.05 -0.01 -0.01 0.02 0.05 -0.01 0.00 0.00 51 1 -0.03 -0.06 0.00 0.13 -0.04 -0.02 -0.01 -0.01 0.01 52 1 0.07 -0.04 -0.04 0.12 -0.02 -0.11 0.00 -0.01 -0.02 53 1 -0.08 -0.08 -0.08 -0.13 -0.07 -0.12 -0.02 -0.02 -0.03 54 1 -0.03 -0.05 -0.02 -0.02 0.01 0.06 -0.02 -0.01 -0.01 55 1 -0.03 -0.01 0.01 -0.05 -0.11 0.01 -0.02 -0.01 0.00 56 8 -0.07 -0.07 0.00 -0.01 -0.05 0.01 -0.03 -0.02 0.00 57 8 -0.08 0.02 0.06 0.07 -0.06 0.14 -0.03 0.00 0.02 58 1 -0.06 0.07 0.06 0.03 0.00 0.09 -0.02 0.01 0.02 59 8 0.03 0.10 0.00 0.03 0.20 -0.06 0.00 0.02 0.00 60 1 0.07 0.03 0.01 0.07 0.12 -0.05 0.01 0.00 0.00 61 8 -0.07 -0.16 0.05 -0.17 -0.17 0.13 -0.03 -0.03 0.01 62 1 -0.06 -0.13 0.13 -0.15 -0.11 0.27 -0.02 -0.03 0.03 63 6 -0.03 -0.05 0.00 0.09 0.12 -0.05 -0.02 -0.01 0.01 64 8 0.00 -0.04 -0.02 0.10 0.14 -0.06 -0.01 -0.02 0.00 65 8 -0.04 -0.06 0.04 0.10 0.20 -0.10 -0.02 -0.02 0.02 66 6 0.01 -0.03 -0.08 0.09 -0.12 0.08 0.00 0.00 -0.02 67 1 0.03 -0.02 -0.07 -0.12 -0.18 0.10 0.01 0.00 -0.02 68 1 -0.03 -0.04 -0.10 0.21 -0.21 0.13 -0.02 0.00 -0.03 69 1 0.03 -0.01 -0.09 0.18 -0.14 0.10 0.00 0.00 -0.02 70 19 -0.03 0.17 0.04 0.00 -0.09 -0.09 -0.02 -0.08 0.01 19 20 21 A A A Frequencies -- 127.6585 130.2314 134.2452 Red. masses -- 3.6976 4.4715 3.7141 Frc consts -- 0.0355 0.0447 0.0394 IR Inten -- 5.4682 0.9539 2.4386 Atom AN X Y Z X Y Z X Y Z 1 6 0.06 0.05 -0.03 -0.03 0.02 -0.01 -0.02 0.04 -0.04 2 6 0.03 0.02 0.02 -0.01 0.02 0.03 -0.04 0.00 0.02 3 6 0.06 0.00 -0.01 0.01 -0.01 0.01 -0.02 0.00 -0.01 4 6 0.03 -0.01 -0.02 0.00 -0.02 -0.01 -0.02 0.00 -0.04 5 6 0.08 0.04 -0.05 -0.01 0.01 -0.03 0.02 0.05 -0.07 6 1 0.05 -0.03 -0.06 0.00 -0.01 0.00 -0.03 0.02 0.00 7 1 -0.02 -0.03 -0.07 0.00 -0.03 -0.02 -0.04 -0.04 -0.08 8 1 0.10 0.05 -0.08 -0.01 0.01 -0.06 0.07 0.08 -0.11 9 1 0.05 0.03 0.02 0.01 0.03 0.03 -0.04 0.00 0.02 10 8 0.02 0.02 0.01 -0.03 0.02 0.02 -0.08 0.00 0.00 11 8 0.01 0.03 0.01 -0.02 0.04 0.03 -0.02 0.01 0.05 12 8 0.16 0.02 -0.01 0.06 -0.02 0.03 -0.01 -0.03 0.01 13 1 0.15 -0.09 -0.02 0.07 -0.06 0.01 -0.02 -0.09 0.02 14 8 -0.01 -0.05 0.07 0.01 -0.04 -0.02 -0.05 -0.02 0.02 15 1 0.04 -0.04 0.12 0.01 -0.04 -0.02 -0.02 0.02 0.06 16 6 0.04 0.02 0.00 -0.01 -0.02 0.03 0.01 0.00 -0.01 17 8 0.04 -0.05 0.05 0.02 -0.13 0.16 0.06 -0.11 0.14 18 8 0.04 0.03 0.02 -0.01 -0.01 0.00 0.02 0.01 -0.07 19 6 0.03 -0.02 -0.06 -0.05 0.05 -0.08 0.01 0.05 -0.06 20 1 0.09 0.04 -0.07 0.16 0.05 -0.24 0.17 0.09 -0.16 21 1 0.01 -0.01 -0.13 -0.15 0.04 0.00 -0.09 0.05 -0.03 22 1 -0.03 -0.07 -0.07 -0.21 0.18 -0.17 -0.11 0.12 -0.12 23 6 -0.02 -0.01 -0.06 -0.01 -0.04 -0.03 -0.02 0.01 0.03 24 6 -0.02 0.02 -0.04 0.00 -0.05 -0.02 -0.01 0.02 0.00 25 6 -0.02 0.04 0.03 -0.04 -0.04 -0.03 0.01 0.01 0.01 26 6 -0.02 0.06 0.01 -0.03 0.03 0.01 0.01 -0.03 0.01 27 6 0.00 0.02 -0.01 -0.04 0.01 0.01 -0.02 0.00 0.03 28 1 -0.05 -0.02 -0.08 -0.04 -0.09 -0.03 -0.01 0.00 0.05 29 1 -0.03 0.09 0.05 -0.01 -0.08 -0.06 0.01 0.03 0.01 30 1 -0.03 0.08 0.04 -0.07 0.06 0.06 0.04 -0.05 -0.02 31 1 -0.02 -0.01 0.03 -0.07 0.00 0.04 -0.03 0.01 0.01 32 1 -0.04 0.06 -0.06 -0.05 -0.06 -0.01 0.04 0.02 -0.01 33 8 0.00 0.00 -0.09 0.04 -0.05 -0.07 -0.04 0.01 0.04 34 8 -0.02 0.00 -0.01 0.03 -0.04 0.06 -0.03 0.02 -0.06 35 8 -0.02 -0.02 0.08 -0.13 -0.03 -0.07 0.03 0.01 0.02 36 1 -0.02 -0.04 0.10 -0.13 -0.14 -0.07 0.03 0.07 -0.01 37 8 -0.02 0.10 -0.03 0.02 0.09 -0.03 -0.01 -0.08 0.06 38 1 -0.02 0.08 -0.01 0.02 0.12 -0.01 -0.02 -0.07 0.03 39 6 -0.05 0.00 -0.03 0.03 -0.02 -0.04 0.01 0.01 0.01 40 8 -0.02 0.00 -0.01 0.02 -0.04 0.00 -0.03 -0.01 0.02 41 8 -0.09 0.02 -0.02 0.06 0.02 -0.06 0.08 0.03 -0.03 42 6 0.03 0.05 0.00 -0.01 -0.03 0.04 0.01 0.01 0.00 43 1 0.28 0.38 0.20 -0.20 -0.25 -0.10 -0.18 -0.30 -0.15 44 1 0.17 -0.09 -0.40 -0.12 0.11 0.34 -0.14 0.21 0.32 45 1 -0.31 -0.11 0.21 0.28 0.07 -0.07 0.35 0.15 -0.17 46 6 -0.05 0.00 0.00 0.02 -0.01 0.03 -0.03 0.02 -0.02 47 6 -0.05 0.01 0.01 0.01 -0.02 -0.01 -0.02 0.05 0.01 48 6 -0.03 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 0.04 49 6 -0.03 -0.02 -0.01 -0.03 0.02 0.02 0.03 0.00 0.00 50 6 -0.03 0.00 -0.01 0.00 -0.02 0.05 -0.01 0.01 -0.04 51 1 -0.03 -0.01 0.01 0.01 -0.01 0.02 -0.03 0.01 -0.03 52 1 -0.02 0.00 0.01 -0.02 0.00 -0.03 -0.02 0.02 0.07 53 1 -0.04 -0.03 -0.04 -0.03 0.04 0.05 0.04 0.00 0.01 54 1 -0.03 -0.01 -0.02 -0.03 -0.03 0.08 0.01 0.02 -0.07 55 1 -0.03 0.02 0.01 0.00 -0.05 -0.02 0.02 0.10 0.03 56 8 -0.06 -0.02 0.00 0.04 0.00 0.03 -0.04 0.02 -0.01 57 8 -0.08 0.03 0.01 0.04 -0.05 0.00 -0.08 0.08 -0.03 58 1 -0.06 0.04 0.03 0.00 -0.05 -0.02 -0.03 0.07 0.01 59 8 -0.02 0.01 0.03 -0.04 0.01 -0.05 0.02 -0.05 0.07 60 1 0.00 -0.03 0.03 -0.07 0.06 -0.05 0.03 -0.07 0.07 61 8 -0.05 -0.05 0.03 -0.05 0.07 0.00 0.08 0.00 -0.02 62 1 -0.05 -0.04 0.06 -0.03 0.05 -0.02 0.06 0.00 -0.05 63 6 -0.03 -0.01 0.02 -0.01 0.01 0.00 0.01 0.03 0.00 64 8 0.00 -0.03 0.01 -0.07 0.08 -0.01 0.08 -0.03 0.00 65 8 -0.03 0.00 0.05 0.00 -0.02 -0.06 0.01 0.09 0.05 66 6 0.01 -0.02 -0.03 -0.08 0.08 0.06 0.10 -0.10 -0.04 67 1 0.03 -0.02 -0.04 -0.12 0.09 0.12 0.08 -0.13 -0.09 68 1 -0.01 -0.02 -0.05 -0.03 0.04 0.09 0.08 -0.07 -0.05 69 1 0.03 -0.02 -0.03 -0.11 0.10 0.04 0.15 -0.13 0.00 70 19 0.05 -0.10 0.00 0.13 0.04 0.01 -0.01 -0.04 -0.03 22 23 24 A A A Frequencies -- 138.5900 143.5825 151.6508 Red. masses -- 6.4583 3.4930 4.6977 Frc consts -- 0.0731 0.0424 0.0637 IR Inten -- 8.4487 4.4567 7.0906 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.06 -0.07 -0.05 0.01 0.02 0.00 0.01 -0.02 2 6 -0.01 0.03 -0.01 0.03 0.03 -0.03 0.02 0.03 -0.02 3 6 -0.01 -0.01 0.00 0.00 0.01 0.02 0.00 0.00 0.01 4 6 -0.01 -0.02 -0.06 -0.02 0.00 0.02 0.00 -0.01 -0.02 5 6 0.02 0.05 -0.09 -0.13 -0.05 0.06 0.00 0.00 -0.02 6 1 0.00 0.03 0.04 0.03 0.01 0.05 0.02 0.03 0.05 7 1 -0.03 -0.05 -0.10 0.03 0.05 0.10 0.00 -0.01 -0.02 8 1 0.05 0.07 -0.14 -0.22 -0.11 0.09 0.00 0.00 -0.02 9 1 0.01 0.04 0.00 0.02 0.03 0.01 0.05 0.04 -0.04 10 8 -0.05 0.03 -0.03 0.07 0.08 -0.04 0.01 0.01 -0.02 11 8 -0.01 0.05 0.00 0.03 -0.02 -0.08 0.00 0.07 -0.01 12 8 -0.03 -0.08 0.03 -0.06 0.01 0.00 -0.03 -0.05 0.03 13 1 -0.04 -0.12 0.04 -0.04 0.10 0.00 -0.03 -0.04 0.03 14 8 -0.03 -0.05 -0.02 0.05 -0.04 -0.10 0.01 -0.02 -0.02 15 1 -0.01 -0.02 0.02 0.00 -0.09 -0.18 0.00 -0.01 -0.02 16 6 0.04 0.01 -0.03 -0.04 -0.01 0.04 0.00 -0.01 -0.01 17 8 0.12 -0.09 0.15 0.01 -0.06 0.16 0.00 0.02 -0.04 18 8 0.06 -0.01 -0.10 -0.03 0.01 -0.02 0.01 -0.06 0.03 19 6 0.07 0.07 0.01 -0.05 0.13 0.02 0.02 -0.03 0.03 20 1 0.21 0.07 -0.11 0.13 0.04 -0.18 -0.04 -0.05 0.07 21 1 -0.03 0.06 0.10 -0.16 0.10 0.26 0.06 -0.03 0.01 22 1 -0.02 0.20 -0.06 -0.17 0.40 -0.09 0.06 -0.06 0.05 23 6 0.02 0.09 0.06 0.05 -0.01 -0.02 0.05 0.06 0.05 24 6 0.01 0.04 0.06 0.02 -0.01 0.00 0.03 -0.05 0.04 25 6 -0.01 0.04 0.05 0.02 -0.01 0.00 -0.04 -0.04 0.00 26 6 -0.01 0.02 0.02 0.02 -0.03 -0.05 -0.04 0.04 0.02 27 6 0.01 0.07 0.02 0.04 -0.02 -0.06 0.00 0.07 0.01 28 1 0.03 0.10 0.06 0.07 0.02 -0.02 0.05 0.05 0.07 29 1 -0.04 0.05 0.06 -0.02 0.01 0.03 -0.03 -0.11 -0.03 30 1 0.00 0.00 -0.04 0.01 -0.03 -0.06 -0.08 0.05 0.01 31 1 0.02 0.09 -0.01 0.05 -0.02 -0.07 0.01 0.08 0.00 32 1 0.03 0.02 0.06 0.02 -0.01 0.00 0.08 -0.09 0.06 33 8 0.00 0.07 0.08 0.02 -0.01 0.00 0.05 0.02 0.08 34 8 0.00 0.01 0.03 0.01 -0.01 -0.01 0.01 -0.07 0.00 35 8 0.02 0.04 0.06 0.09 -0.03 0.04 -0.15 -0.02 -0.05 36 1 0.02 0.10 0.05 0.10 0.01 0.07 -0.15 -0.09 -0.10 37 8 -0.05 -0.03 0.06 0.00 -0.02 -0.06 0.00 0.04 0.03 38 1 -0.05 -0.04 0.03 -0.01 -0.01 -0.08 0.00 0.05 0.05 39 6 0.01 0.07 0.03 0.03 -0.01 0.00 0.07 0.05 0.03 40 8 -0.01 0.10 -0.04 0.09 0.01 -0.01 0.10 0.09 -0.05 41 8 -0.02 -0.01 0.06 -0.06 -0.04 0.04 0.00 -0.04 0.08 42 6 -0.09 0.00 -0.09 -0.02 -0.03 0.05 -0.11 -0.05 -0.03 43 1 -0.01 0.13 -0.03 0.06 0.23 0.14 -0.11 0.14 0.01 44 1 0.01 -0.17 -0.22 0.09 -0.20 -0.14 0.01 -0.31 -0.11 45 1 -0.32 -0.04 -0.06 -0.27 -0.13 0.18 -0.38 -0.11 0.03 46 6 0.06 -0.02 0.00 -0.03 0.00 -0.01 -0.02 -0.04 0.03 47 6 0.07 -0.05 -0.02 -0.03 0.01 0.00 -0.01 0.03 -0.01 48 6 0.05 -0.01 -0.05 -0.02 0.00 0.01 -0.01 -0.02 0.02 49 6 0.02 -0.01 0.00 0.00 0.00 -0.01 0.01 0.01 0.02 50 6 0.04 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.05 0.02 51 1 0.05 0.00 0.01 -0.02 0.00 0.00 -0.02 -0.04 0.01 52 1 0.08 -0.03 -0.09 -0.03 0.00 0.01 -0.02 0.00 0.04 53 1 0.01 0.00 0.00 0.00 0.00 -0.01 0.02 0.04 0.09 54 1 0.05 0.01 0.03 -0.02 -0.01 -0.02 -0.02 -0.06 0.03 55 1 0.01 -0.11 -0.02 -0.02 0.02 0.01 0.07 0.08 -0.02 56 8 0.08 -0.01 -0.01 -0.04 0.00 0.00 0.00 -0.03 0.02 57 8 0.15 -0.10 0.02 -0.05 0.02 0.00 -0.10 0.07 -0.07 58 1 0.10 -0.10 -0.02 -0.03 0.02 0.01 -0.08 0.07 -0.05 59 8 0.03 0.06 -0.09 -0.01 -0.02 0.03 -0.02 -0.05 0.01 60 1 0.02 0.08 -0.09 0.01 -0.02 0.02 -0.04 0.01 0.00 61 8 0.00 0.00 -0.01 0.00 0.00 -0.01 0.06 0.09 -0.05 62 1 0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.09 0.03 -0.13 63 6 -0.01 -0.06 -0.02 -0.01 0.00 0.00 0.01 0.04 0.00 64 8 -0.09 -0.04 0.01 0.02 -0.02 0.00 0.04 0.18 -0.09 65 8 0.00 -0.14 -0.07 -0.01 0.02 0.03 0.00 0.04 0.02 66 6 -0.11 0.12 0.01 0.02 -0.03 -0.03 0.03 -0.11 0.07 67 1 0.00 0.17 0.03 0.03 -0.04 -0.05 -0.22 -0.17 0.13 68 1 -0.13 0.15 0.00 0.00 -0.02 -0.04 0.17 -0.24 0.14 69 1 -0.19 0.15 -0.02 0.04 -0.04 -0.02 0.12 -0.12 0.07 70 19 -0.12 -0.09 0.01 0.01 0.05 0.01 0.01 -0.07 -0.04 25 26 27 A A A Frequencies -- 158.3743 167.6928 173.4619 Red. masses -- 5.5679 7.1205 6.2717 Frc consts -- 0.0823 0.1180 0.1112 IR Inten -- 8.2555 13.0306 6.5638 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.03 -0.01 0.02 -0.09 0.09 0.00 -0.08 0.04 2 6 0.01 -0.01 0.01 0.00 -0.04 0.02 0.01 -0.04 -0.02 3 6 0.02 -0.01 -0.01 0.00 -0.02 0.02 -0.03 0.01 -0.01 4 6 0.02 -0.01 0.00 0.02 0.00 0.08 -0.02 0.02 0.05 5 6 0.02 0.01 -0.01 0.00 -0.07 0.11 -0.04 -0.06 0.08 6 1 0.01 -0.03 -0.05 0.00 -0.05 -0.01 -0.01 0.01 0.02 7 1 0.00 -0.01 -0.02 0.06 0.02 0.13 0.00 0.05 0.09 8 1 0.02 0.01 -0.03 0.00 -0.07 0.14 -0.05 -0.06 0.12 9 1 -0.01 -0.01 0.04 0.02 -0.04 -0.03 -0.02 -0.06 -0.05 10 8 0.02 0.02 0.00 0.02 -0.09 0.05 0.03 -0.06 0.00 11 8 0.00 -0.04 -0.02 -0.03 0.00 0.02 0.03 -0.05 0.01 12 8 0.09 0.02 -0.01 0.01 0.04 -0.01 -0.14 0.05 -0.05 13 1 0.09 -0.03 -0.03 0.03 0.11 -0.03 -0.15 0.19 -0.02 14 8 0.01 -0.02 0.02 0.04 0.07 0.03 0.00 0.06 0.00 15 1 0.02 -0.03 0.02 0.01 0.05 -0.02 -0.03 0.03 -0.03 16 6 0.02 0.02 0.00 0.00 -0.01 0.02 0.00 -0.01 -0.03 17 8 0.04 0.00 0.04 -0.05 -0.02 -0.03 0.00 -0.06 0.01 18 8 0.02 0.04 -0.01 -0.02 0.10 -0.02 -0.01 0.12 -0.15 19 6 0.03 0.03 0.02 -0.06 0.00 -0.11 -0.03 0.02 -0.10 20 1 0.06 0.03 -0.01 -0.01 0.04 -0.11 0.07 0.06 -0.15 21 1 0.01 0.03 0.05 -0.07 0.00 -0.16 -0.08 0.03 -0.09 22 1 0.01 0.07 0.01 -0.11 -0.04 -0.12 -0.09 0.06 -0.13 23 6 -0.03 -0.04 -0.05 -0.04 0.09 0.01 0.03 0.02 0.05 24 6 -0.03 0.00 -0.04 -0.03 0.01 0.02 0.06 0.05 -0.01 25 6 -0.01 0.00 0.01 -0.02 0.01 0.07 0.08 0.05 -0.02 26 6 -0.01 -0.03 -0.03 -0.03 -0.06 -0.05 0.09 0.08 0.09 27 6 0.00 -0.05 -0.04 -0.02 0.03 -0.04 0.06 0.01 0.08 28 1 -0.03 -0.02 -0.07 -0.02 0.12 0.00 0.02 0.03 0.05 29 1 -0.03 0.07 0.04 -0.12 0.11 0.15 0.16 0.00 -0.08 30 1 0.01 -0.03 -0.03 0.00 -0.10 -0.15 0.08 0.11 0.15 31 1 -0.01 -0.05 -0.03 -0.02 0.07 -0.10 0.12 -0.02 0.12 32 1 -0.04 0.03 -0.06 0.01 0.01 0.01 0.09 0.03 -0.01 33 8 -0.03 -0.02 -0.06 -0.05 0.04 0.05 0.03 0.05 0.02 34 8 -0.02 -0.01 -0.03 -0.05 -0.02 -0.03 0.03 0.06 -0.06 35 8 0.06 -0.05 0.07 0.14 -0.07 0.20 -0.01 0.11 -0.10 36 1 0.06 0.04 0.07 0.14 0.09 0.21 -0.01 0.02 -0.11 37 8 -0.04 -0.02 -0.05 -0.09 -0.16 0.02 0.14 0.13 0.06 38 1 -0.04 -0.04 -0.06 -0.10 -0.15 -0.04 0.15 0.11 0.09 39 6 -0.06 -0.03 -0.03 -0.04 0.10 -0.01 0.01 -0.01 0.05 40 8 -0.08 -0.06 0.02 -0.07 0.12 -0.05 -0.03 -0.01 0.04 41 8 -0.03 0.03 -0.05 0.00 0.08 -0.01 0.04 -0.03 0.04 42 6 0.06 0.04 0.01 -0.09 0.07 -0.12 0.03 -0.01 -0.02 43 1 0.09 -0.05 0.01 -0.11 -0.02 -0.15 0.05 -0.09 -0.03 44 1 0.00 0.19 0.01 -0.10 0.04 -0.06 0.01 0.04 -0.01 45 1 0.19 0.06 -0.01 -0.08 0.11 -0.19 0.08 0.03 -0.07 46 6 0.03 -0.04 0.03 0.01 -0.06 0.04 -0.01 0.02 -0.02 47 6 0.05 0.00 -0.02 0.03 -0.01 -0.01 -0.04 -0.01 -0.01 48 6 0.03 -0.02 -0.01 0.02 -0.02 0.00 -0.01 0.00 -0.03 49 6 0.02 -0.01 0.01 0.01 -0.01 0.02 -0.01 -0.02 -0.06 50 6 0.02 -0.02 0.02 0.00 -0.03 0.02 0.02 0.06 -0.05 51 1 0.03 -0.04 0.04 0.01 -0.06 0.04 0.02 0.03 0.04 52 1 0.04 -0.01 0.01 0.03 -0.03 0.00 -0.02 0.00 -0.04 53 1 0.02 0.00 0.03 0.02 0.01 0.07 0.00 -0.06 -0.16 54 1 0.04 0.01 0.02 0.03 0.00 0.02 0.03 0.06 -0.06 55 1 0.09 0.03 -0.04 0.08 0.03 -0.03 -0.04 -0.02 -0.02 56 8 0.05 -0.04 0.01 0.03 -0.06 0.02 -0.05 -0.03 -0.02 57 8 -0.01 0.03 -0.06 -0.05 0.04 -0.04 -0.06 0.00 0.02 58 1 -0.02 0.04 -0.07 -0.05 0.06 -0.04 -0.01 0.02 0.04 59 8 0.01 -0.02 -0.03 0.01 -0.01 -0.02 0.02 0.00 0.02 60 1 -0.02 0.00 -0.03 -0.01 0.03 -0.03 0.08 -0.11 0.03 61 8 0.03 0.01 0.00 0.05 0.04 -0.03 -0.10 -0.12 0.04 62 1 0.01 0.01 -0.01 0.06 0.00 -0.09 -0.15 -0.01 0.16 63 6 0.02 0.00 0.01 0.00 -0.04 0.01 -0.03 -0.04 0.02 64 8 0.01 0.27 -0.13 -0.05 0.05 -0.02 -0.03 0.09 -0.05 65 8 0.00 -0.12 0.05 0.00 -0.08 -0.03 -0.05 -0.18 0.11 66 6 -0.02 -0.10 0.15 -0.07 0.06 0.04 -0.05 -0.04 0.06 67 1 -0.39 -0.15 0.31 -0.12 0.12 0.19 -0.21 -0.03 0.19 68 1 0.22 -0.35 0.27 -0.01 -0.07 0.06 0.06 -0.20 0.10 69 1 0.08 -0.07 0.10 -0.08 0.14 -0.06 -0.01 0.01 -0.01 70 19 -0.13 0.07 0.08 0.18 -0.01 -0.09 0.03 -0.07 -0.01 28 29 30 A A A Frequencies -- 177.3095 187.8925 190.5075 Red. masses -- 6.7140 3.8674 1.2800 Frc consts -- 0.1244 0.0804 0.0274 IR Inten -- 15.9443 5.9670 1.3377 Atom AN X Y Z X Y Z X Y Z 1 6 0.08 -0.08 0.08 0.00 -0.08 0.05 0.00 -0.02 0.01 2 6 0.04 -0.06 -0.02 -0.02 -0.03 0.02 0.00 -0.01 0.00 3 6 0.03 -0.04 0.00 -0.02 -0.02 0.01 0.00 0.00 0.00 4 6 0.04 -0.02 0.09 0.01 0.00 0.02 0.00 0.00 0.00 5 6 0.01 -0.11 0.13 0.05 -0.02 0.03 0.01 -0.01 0.01 6 1 0.03 -0.10 -0.07 -0.02 -0.01 0.01 0.00 0.00 0.00 7 1 0.08 0.03 0.16 0.03 -0.02 0.02 0.01 0.00 0.00 8 1 -0.04 -0.13 0.18 0.11 0.01 0.02 0.03 0.00 0.01 9 1 0.03 -0.07 -0.03 0.01 -0.03 -0.04 0.00 -0.01 -0.01 10 8 0.14 -0.04 0.02 -0.06 -0.12 0.06 -0.01 -0.03 0.01 11 8 -0.02 -0.09 -0.10 -0.03 0.06 0.09 -0.01 0.01 0.02 12 8 0.07 0.09 -0.07 -0.02 -0.02 0.02 0.00 -0.01 0.00 13 1 0.10 0.17 -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 14 8 0.07 0.06 0.03 0.00 0.08 0.05 0.00 0.02 0.01 15 1 0.03 -0.01 -0.04 -0.01 0.11 0.06 0.00 0.03 0.02 16 6 0.05 0.03 0.00 0.01 -0.02 -0.02 0.00 0.00 -0.01 17 8 0.03 -0.05 0.03 0.01 -0.02 -0.03 0.00 -0.01 0.00 18 8 0.02 0.22 -0.12 0.00 0.07 -0.10 0.00 0.02 -0.03 19 6 0.00 0.05 -0.11 0.00 0.00 -0.06 0.00 0.00 -0.01 20 1 0.12 0.09 -0.19 0.02 0.04 -0.05 0.01 0.01 -0.01 21 1 -0.06 0.05 -0.11 -0.02 0.01 -0.10 0.00 0.00 -0.02 22 1 -0.09 0.09 -0.16 -0.01 -0.03 -0.06 0.00 0.00 -0.01 23 6 -0.01 0.01 0.02 0.00 -0.02 -0.04 0.00 -0.01 -0.01 24 6 -0.03 -0.04 0.04 0.00 0.00 -0.03 0.00 0.00 -0.01 25 6 -0.07 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 26 6 -0.07 0.01 0.02 -0.01 0.00 -0.03 0.00 0.00 -0.01 27 6 0.01 -0.03 -0.02 -0.04 0.03 -0.01 -0.01 0.00 0.00 28 1 0.00 0.04 0.01 -0.01 -0.09 -0.01 0.00 -0.03 0.00 29 1 -0.04 -0.11 -0.04 -0.04 0.04 0.02 0.00 0.01 0.00 30 1 -0.09 0.03 0.04 -0.01 0.00 -0.04 0.00 0.00 -0.01 31 1 0.08 -0.04 -0.01 -0.11 0.04 -0.01 -0.02 0.00 0.00 32 1 -0.03 -0.05 0.06 -0.03 0.02 -0.03 0.00 0.01 -0.01 33 8 -0.02 -0.01 0.05 0.02 -0.02 -0.06 0.00 0.00 -0.01 34 8 -0.01 -0.05 0.06 0.02 0.01 0.01 0.00 0.00 0.00 35 8 -0.19 0.01 -0.08 0.02 -0.04 0.05 0.00 0.00 0.00 36 1 -0.20 -0.05 -0.14 0.02 -0.05 0.08 0.00 0.00 0.00 37 8 -0.08 0.05 -0.03 -0.02 -0.01 -0.01 0.00 0.00 0.00 38 1 -0.08 -0.01 0.00 -0.02 -0.03 -0.01 0.00 -0.01 0.00 39 6 -0.03 0.00 0.04 0.08 0.01 -0.08 0.02 0.00 -0.02 40 8 -0.07 -0.01 0.02 0.20 0.04 -0.08 0.05 0.00 -0.02 41 8 -0.01 -0.02 0.03 0.01 0.02 -0.06 0.00 0.00 -0.01 42 6 0.02 0.00 -0.05 -0.06 -0.03 0.10 -0.01 -0.01 0.03 43 1 0.06 -0.09 -0.04 -0.19 0.19 0.07 -0.04 0.05 0.03 44 1 0.00 0.07 -0.06 0.00 -0.21 0.15 0.01 -0.05 0.04 45 1 0.07 0.04 -0.10 -0.19 -0.11 0.21 -0.04 -0.03 0.07 46 6 0.00 -0.01 0.01 -0.01 0.04 -0.03 0.00 0.00 0.00 47 6 0.03 0.01 0.01 0.00 0.01 0.01 -0.01 0.00 0.00 48 6 0.01 0.00 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 49 6 0.00 0.01 0.05 0.00 0.01 -0.01 0.00 0.00 0.00 50 6 -0.02 -0.05 0.04 -0.01 0.01 -0.02 0.00 0.00 0.00 51 1 -0.02 -0.02 -0.04 -0.03 0.05 -0.03 0.00 0.00 -0.01 52 1 0.02 0.00 0.03 -0.02 0.02 0.01 0.00 0.00 0.00 53 1 -0.01 0.04 0.12 -0.01 0.01 -0.02 0.00 0.00 0.00 54 1 -0.03 -0.06 0.05 -0.02 -0.01 -0.03 0.00 0.00 0.00 55 1 0.03 0.02 0.02 -0.06 -0.02 0.03 0.00 0.00 0.00 56 8 0.04 0.03 0.01 -0.01 0.06 -0.02 0.00 0.00 0.00 57 8 0.04 0.00 -0.01 0.07 -0.03 0.02 -0.01 0.00 0.00 58 1 0.01 -0.02 -0.03 0.05 -0.06 0.02 0.00 0.01 0.00 59 8 -0.02 0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 60 1 -0.06 0.08 -0.02 -0.01 -0.01 0.01 0.00 0.00 0.00 61 8 0.07 0.08 -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 62 1 0.11 0.01 -0.12 0.01 -0.02 0.02 0.00 0.00 0.00 63 6 0.02 0.04 -0.02 -0.01 0.02 0.00 0.01 0.00 0.00 64 8 0.03 -0.05 0.03 0.01 0.03 -0.02 0.01 -0.05 0.03 65 8 0.04 0.14 -0.08 -0.03 -0.03 0.04 0.01 0.04 -0.01 66 6 0.05 0.00 -0.05 0.01 -0.06 -0.01 0.01 0.03 0.01 67 1 0.16 -0.04 -0.21 0.04 -0.23 -0.35 -0.09 0.27 0.53 68 1 -0.03 0.18 -0.07 -0.02 0.29 0.03 0.07 -0.51 -0.03 69 1 0.03 -0.08 0.06 0.00 -0.30 0.30 0.05 0.37 -0.44 70 19 -0.10 -0.05 0.03 -0.04 0.02 0.03 -0.03 0.00 0.01 31 32 33 A A A Frequencies -- 197.0572 210.2616 220.2781 Red. masses -- 5.6122 5.2278 5.5098 Frc consts -- 0.1284 0.1362 0.1575 IR Inten -- 4.2550 6.2448 5.2800 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.03 0.00 0.01 0.01 0.01 -0.02 -0.02 0.01 2 6 0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 0.02 0.00 3 6 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 0.02 0.01 4 6 0.00 -0.01 0.00 0.01 -0.02 0.00 0.00 0.01 0.00 5 6 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 6 1 0.01 -0.02 -0.02 -0.01 -0.04 -0.04 0.02 0.04 0.04 7 1 0.01 0.00 0.02 0.02 -0.02 0.00 -0.01 0.02 0.00 8 1 -0.04 -0.02 0.01 0.01 -0.01 -0.01 0.02 0.01 0.01 9 1 0.00 0.01 0.02 -0.02 -0.01 0.03 0.03 0.02 -0.04 10 8 0.04 0.04 -0.01 0.01 0.01 0.00 -0.02 -0.03 0.01 11 8 -0.01 -0.03 -0.05 -0.03 -0.05 -0.05 0.02 0.07 0.05 12 8 0.05 0.02 -0.01 0.08 0.00 0.00 -0.05 -0.02 0.02 13 1 0.06 0.00 -0.02 0.09 -0.05 -0.02 -0.06 0.01 0.03 14 8 0.01 -0.02 -0.02 0.01 0.01 0.01 0.00 0.00 0.01 15 1 0.01 -0.04 -0.03 0.01 0.01 0.01 0.00 0.01 0.02 16 6 0.01 0.01 0.02 0.00 0.01 0.03 0.00 -0.01 -0.01 17 8 -0.01 0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 18 8 0.01 -0.01 0.06 0.00 0.00 0.05 0.00 -0.01 -0.04 19 6 0.00 0.00 0.01 -0.01 0.01 0.03 0.00 -0.01 -0.02 20 1 -0.01 -0.01 0.00 -0.01 0.01 0.03 0.00 0.00 -0.01 21 1 0.01 -0.01 0.01 -0.01 0.01 0.03 0.00 -0.01 -0.03 22 1 -0.01 -0.01 0.01 0.00 0.02 0.03 0.00 -0.02 -0.02 23 6 -0.01 0.01 0.03 0.00 -0.04 0.01 0.02 0.01 -0.04 24 6 -0.01 -0.03 0.02 -0.09 0.11 0.07 0.01 -0.02 0.08 25 6 -0.04 -0.04 0.01 -0.06 0.11 0.03 0.01 -0.01 0.02 26 6 -0.04 -0.02 0.00 -0.06 0.01 0.02 0.01 0.00 -0.02 27 6 -0.01 -0.02 -0.01 -0.02 -0.03 0.00 0.01 0.04 0.00 28 1 0.01 0.04 0.03 0.06 -0.05 0.08 -0.07 -0.01 -0.10 29 1 -0.05 -0.04 0.01 -0.02 0.04 -0.01 -0.02 -0.03 0.03 30 1 -0.05 -0.02 -0.01 0.00 -0.02 0.00 -0.02 0.01 -0.02 31 1 0.02 -0.01 -0.02 0.00 -0.04 0.01 -0.03 0.05 -0.01 32 1 0.01 -0.06 0.03 -0.09 0.13 0.06 -0.13 0.01 0.07 33 8 -0.04 -0.01 0.07 -0.08 0.03 0.03 0.15 -0.02 -0.11 34 8 -0.02 0.02 -0.03 -0.07 0.06 0.08 0.12 -0.07 0.30 35 8 -0.09 -0.07 0.03 0.00 0.27 -0.09 0.12 0.08 -0.01 36 1 -0.09 -0.20 0.07 -0.01 0.60 -0.27 0.12 0.34 -0.09 37 8 -0.06 -0.02 0.00 -0.16 -0.02 0.01 0.03 0.02 -0.03 38 1 -0.06 -0.01 -0.02 -0.17 -0.06 -0.04 0.03 0.03 -0.02 39 6 -0.01 0.01 0.03 0.05 -0.07 -0.03 -0.04 0.03 0.02 40 8 -0.03 0.02 0.01 0.12 -0.07 0.00 -0.13 0.01 0.03 41 8 0.01 0.00 0.03 0.02 -0.06 -0.02 -0.03 0.03 0.01 42 6 0.00 0.00 -0.03 0.05 -0.04 0.13 0.00 0.02 -0.09 43 1 0.01 -0.04 -0.03 -0.02 0.09 0.12 0.08 -0.10 -0.07 44 1 -0.01 0.01 -0.03 0.05 -0.06 0.15 -0.02 0.09 -0.13 45 1 0.00 0.02 -0.06 0.03 -0.09 0.22 0.04 0.07 -0.16 46 6 -0.06 0.14 -0.13 0.01 -0.01 -0.02 -0.05 0.03 -0.05 47 6 -0.01 0.06 0.02 0.01 -0.01 0.00 -0.05 0.00 0.02 48 6 -0.02 0.07 0.02 0.03 -0.03 0.00 -0.02 -0.03 0.01 49 6 -0.02 0.02 -0.04 0.02 -0.03 0.01 -0.02 -0.03 0.03 50 6 -0.06 0.03 -0.08 -0.01 0.00 -0.01 -0.02 -0.09 0.05 51 1 -0.14 0.17 -0.18 0.02 -0.01 0.00 -0.08 0.04 -0.06 52 1 -0.05 0.09 0.04 0.06 -0.05 -0.01 0.02 -0.05 0.00 53 1 -0.04 0.02 -0.06 0.03 -0.02 0.06 -0.03 0.02 0.12 54 1 -0.08 -0.02 -0.12 0.03 0.01 -0.04 -0.11 -0.22 0.02 55 1 -0.19 -0.03 0.10 0.03 0.02 0.01 -0.07 0.01 0.05 56 8 -0.01 0.24 -0.09 -0.01 -0.03 -0.02 -0.04 0.06 -0.02 57 8 0.25 -0.10 0.06 -0.03 0.01 -0.02 -0.02 -0.03 -0.02 58 1 0.20 -0.18 0.05 -0.02 0.01 -0.02 -0.02 -0.08 -0.02 59 8 -0.03 0.02 0.03 0.03 0.02 0.00 0.00 0.03 0.02 60 1 -0.03 0.00 0.03 0.04 0.05 -0.02 0.01 0.14 -0.01 61 8 0.07 -0.06 -0.02 0.09 0.01 -0.05 0.05 0.08 -0.07 62 1 0.10 -0.08 -0.01 0.10 -0.04 -0.14 0.19 -0.10 -0.19 63 6 -0.03 0.03 -0.02 -0.01 -0.05 -0.02 -0.06 -0.01 -0.04 64 8 0.03 -0.01 -0.03 -0.02 0.00 -0.05 -0.01 -0.03 -0.06 65 8 -0.06 -0.09 0.14 -0.02 -0.12 0.00 -0.07 -0.04 0.02 66 6 0.02 -0.11 0.05 -0.03 -0.03 -0.02 0.01 -0.14 -0.11 67 1 -0.16 -0.04 0.30 -0.06 -0.04 -0.02 -0.07 -0.11 -0.01 68 1 0.13 -0.41 0.07 -0.01 -0.05 -0.01 0.01 -0.31 -0.14 69 1 0.07 0.03 -0.14 -0.02 -0.04 -0.02 0.12 -0.07 -0.22 70 19 0.06 0.00 -0.03 0.06 0.00 -0.03 0.00 0.01 0.02 34 35 36 A A A Frequencies -- 224.0785 245.4790 249.9170 Red. masses -- 4.8419 5.7283 5.2407 Frc consts -- 0.1432 0.2034 0.1929 IR Inten -- 4.4119 3.6345 6.7017 Atom AN X Y Z X Y Z X Y Z 1 6 0.03 0.03 0.00 0.02 -0.07 0.01 0.01 0.06 -0.01 2 6 0.04 0.08 -0.01 0.07 0.04 -0.10 -0.05 -0.05 0.05 3 6 0.01 0.04 0.05 0.05 0.00 -0.06 -0.03 -0.03 0.02 4 6 -0.03 0.00 0.06 0.05 0.01 -0.05 -0.02 -0.02 0.03 5 6 -0.10 -0.03 0.08 0.08 -0.04 -0.02 -0.03 0.02 0.01 6 1 0.07 0.03 0.11 0.07 0.05 0.01 -0.06 -0.07 -0.04 7 1 0.00 0.06 0.12 0.01 0.01 -0.09 0.01 -0.04 0.05 8 1 -0.13 -0.05 0.11 0.04 -0.06 0.01 0.00 0.04 -0.03 9 1 0.09 0.09 -0.05 0.11 0.04 -0.16 -0.08 -0.05 0.11 10 8 0.05 0.05 -0.01 0.09 -0.03 -0.06 -0.05 0.02 0.03 11 8 0.02 0.14 0.03 0.04 0.08 -0.08 -0.05 -0.10 0.00 12 8 -0.12 0.08 0.00 0.01 -0.12 0.00 0.01 0.07 -0.03 13 1 -0.09 0.34 0.00 -0.03 -0.24 0.03 0.04 0.15 -0.05 14 8 0.06 -0.14 -0.11 -0.01 0.09 0.08 0.02 -0.06 -0.05 15 1 0.02 -0.28 -0.23 0.03 0.14 0.16 -0.01 -0.10 -0.09 16 6 0.08 0.01 -0.02 -0.05 -0.04 0.01 0.03 0.04 0.01 17 8 0.06 -0.01 -0.05 -0.04 -0.01 0.01 0.02 0.02 0.01 18 8 0.09 -0.03 0.02 -0.06 0.02 -0.03 0.03 0.01 0.06 19 6 0.08 -0.12 -0.18 -0.07 0.10 0.13 0.04 -0.04 -0.05 20 1 0.09 -0.09 -0.17 -0.07 0.08 0.11 0.04 -0.03 -0.04 21 1 0.17 -0.10 -0.29 -0.18 0.09 0.24 0.09 -0.03 -0.10 22 1 0.00 -0.25 -0.18 0.01 0.24 0.13 0.00 -0.10 -0.05 23 6 -0.01 -0.02 -0.04 0.04 0.01 -0.04 -0.03 -0.01 0.02 24 6 -0.03 0.03 -0.02 0.02 0.02 -0.03 0.01 -0.01 0.01 25 6 -0.03 0.04 0.02 -0.03 0.04 0.02 0.00 -0.01 0.00 26 6 -0.02 0.00 0.05 -0.02 0.01 0.05 -0.02 -0.02 0.00 27 6 -0.02 0.06 0.04 0.04 0.06 0.01 -0.03 -0.05 0.00 28 1 -0.02 -0.06 -0.01 0.02 0.00 -0.05 -0.05 -0.02 0.00 29 1 0.00 0.06 0.01 0.02 0.05 0.01 -0.01 -0.02 0.00 30 1 0.02 -0.04 -0.05 0.04 -0.06 -0.10 0.00 -0.02 0.02 31 1 -0.09 0.05 0.07 0.04 0.04 0.05 0.01 -0.04 0.00 32 1 -0.05 0.05 -0.04 -0.01 0.03 -0.03 -0.04 -0.03 0.03 33 8 -0.01 0.01 -0.06 0.06 0.03 -0.08 0.00 -0.03 0.01 34 8 -0.02 0.01 0.00 0.05 0.01 0.02 0.05 0.05 0.06 35 8 -0.07 0.01 0.03 -0.16 -0.03 0.04 -0.03 -0.04 0.01 36 1 -0.07 0.01 -0.02 -0.16 -0.23 0.04 -0.03 -0.16 0.07 37 8 -0.01 -0.13 0.17 -0.07 -0.18 0.20 -0.06 0.00 -0.03 38 1 -0.02 -0.09 0.12 -0.10 -0.15 0.08 -0.06 -0.03 -0.04 39 6 -0.02 -0.04 -0.05 -0.02 -0.03 -0.03 0.01 0.03 0.02 40 8 0.00 -0.06 -0.01 -0.06 -0.06 0.01 0.05 0.06 -0.02 41 8 -0.04 -0.02 -0.05 -0.04 -0.03 -0.02 0.02 0.05 0.01 42 6 0.03 0.02 0.07 0.03 0.02 0.02 -0.04 -0.02 -0.03 43 1 0.03 0.07 0.07 0.08 0.01 0.04 -0.07 -0.01 -0.05 44 1 0.01 0.08 0.05 0.01 0.11 -0.02 -0.01 -0.09 0.00 45 1 0.08 -0.02 0.13 0.09 0.01 0.05 -0.08 0.00 -0.06 46 6 0.00 -0.01 0.00 0.02 0.03 -0.02 0.07 0.04 -0.02 47 6 0.01 0.00 0.00 -0.03 -0.01 -0.01 0.00 0.02 -0.01 48 6 0.00 0.00 0.00 0.00 -0.01 -0.03 0.01 0.02 -0.02 49 6 0.00 0.00 0.01 0.01 0.01 -0.05 0.01 0.05 -0.05 50 6 0.00 0.00 0.00 0.03 0.02 -0.01 0.06 0.06 0.01 51 1 0.00 0.00 0.00 0.03 0.03 0.00 0.09 0.03 0.00 52 1 0.01 -0.01 0.00 0.00 -0.01 -0.06 -0.02 0.03 -0.02 53 1 0.00 0.00 0.01 0.02 0.00 -0.06 0.02 0.04 -0.05 54 1 0.01 0.01 0.00 0.02 0.00 -0.02 0.05 0.05 0.03 55 1 0.01 0.00 0.00 -0.02 -0.01 -0.02 0.02 0.01 -0.05 56 8 0.00 0.00 0.00 -0.01 0.01 -0.01 0.03 0.02 0.00 57 8 0.01 0.00 0.00 -0.03 -0.01 -0.02 -0.02 0.05 0.01 58 1 0.00 0.00 -0.01 0.04 -0.04 0.03 0.12 0.02 0.11 59 8 -0.01 0.01 -0.01 0.11 0.00 0.09 0.16 -0.04 0.19 60 1 -0.02 0.02 -0.01 0.25 -0.10 0.07 0.39 -0.25 0.17 61 8 0.02 0.00 0.00 -0.11 0.05 -0.02 -0.23 0.15 0.00 62 1 0.02 -0.01 -0.01 -0.12 0.08 0.02 -0.30 0.24 0.07 63 6 0.00 0.00 0.00 0.01 0.00 -0.01 0.03 -0.03 -0.06 64 8 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.04 -0.05 65 8 0.00 0.00 0.00 0.01 -0.03 0.00 0.03 -0.11 -0.10 66 6 0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.08 -0.08 67 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.07 -0.05 68 1 0.00 0.01 0.00 0.01 0.01 0.01 0.01 -0.15 -0.10 69 1 0.00 0.00 0.00 -0.01 0.00 0.02 0.07 -0.06 -0.12 70 19 -0.02 0.02 0.01 0.01 0.03 0.00 -0.01 0.00 0.00 37 38 39 A A A Frequencies -- 252.3886 254.6916 258.1427 Red. masses -- 4.7334 6.0216 5.5724 Frc consts -- 0.1776 0.2301 0.2188 IR Inten -- 5.4904 1.5250 17.2163 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.02 0.00 0.05 0.05 -0.03 -0.02 0.02 -0.02 2 6 0.02 0.01 -0.02 -0.02 -0.12 0.01 -0.06 0.00 0.02 3 6 0.01 0.00 -0.01 0.01 -0.05 -0.03 -0.07 -0.01 0.00 4 6 0.01 0.01 -0.01 0.07 -0.03 -0.01 -0.12 0.00 0.00 5 6 0.01 -0.01 -0.01 0.10 0.06 -0.07 -0.14 -0.07 0.05 6 1 0.02 0.02 0.01 -0.03 -0.06 -0.09 -0.09 -0.06 -0.06 7 1 0.00 0.01 -0.02 0.04 -0.09 -0.06 -0.07 0.03 0.06 8 1 0.00 -0.02 0.01 0.15 0.09 -0.13 -0.25 -0.13 0.10 9 1 0.02 0.01 -0.04 -0.06 -0.11 0.10 -0.12 -0.01 0.05 10 8 0.03 0.00 -0.01 -0.03 -0.01 -0.01 0.09 0.11 -0.03 11 8 0.01 0.02 -0.01 -0.01 -0.19 -0.03 -0.05 -0.12 -0.10 12 8 0.00 -0.03 0.00 -0.10 0.09 -0.15 0.20 -0.06 0.10 13 1 -0.01 -0.06 0.01 -0.14 0.29 -0.08 0.22 -0.42 0.02 14 8 -0.01 0.02 0.02 0.07 -0.15 0.01 -0.12 0.20 -0.04 15 1 0.00 0.03 0.03 0.10 -0.15 0.04 -0.19 0.26 -0.09 16 6 -0.01 -0.01 0.00 -0.01 0.04 0.03 0.01 0.00 -0.03 17 8 -0.01 -0.01 0.00 -0.03 0.02 0.04 0.03 -0.01 -0.01 18 8 -0.01 0.00 -0.01 -0.03 0.08 0.10 0.03 -0.07 -0.02 19 6 -0.02 0.02 0.03 -0.04 0.07 0.11 0.04 -0.05 -0.07 20 1 -0.02 0.01 0.02 -0.05 0.06 0.10 0.04 -0.06 -0.08 21 1 -0.04 0.02 0.05 -0.09 0.06 0.17 0.08 -0.05 -0.10 22 1 0.00 0.05 0.02 0.00 0.14 0.11 -0.01 -0.09 -0.08 23 6 0.00 0.00 -0.01 -0.05 -0.03 -0.04 -0.05 -0.03 -0.01 24 6 -0.01 0.01 0.00 -0.01 0.00 -0.03 -0.01 0.00 -0.01 25 6 0.01 0.01 0.00 0.03 0.02 0.03 0.02 0.00 0.01 26 6 0.01 0.01 0.02 0.05 0.00 0.11 0.03 0.00 0.08 27 6 0.01 0.01 0.01 0.04 -0.06 0.07 -0.01 -0.03 0.06 28 1 0.01 0.00 0.00 -0.10 -0.04 -0.08 -0.08 -0.04 -0.04 29 1 0.02 0.02 0.00 0.11 0.03 -0.01 0.06 0.02 0.00 30 1 0.01 0.00 0.00 0.07 -0.02 0.09 0.03 0.00 0.07 31 1 0.01 0.00 0.02 0.15 -0.12 0.15 0.09 -0.09 0.13 32 1 -0.03 0.00 0.00 -0.05 0.05 -0.05 -0.03 0.02 -0.03 33 8 -0.01 0.01 0.00 0.03 -0.03 -0.10 0.01 -0.03 -0.05 34 8 -0.01 0.04 0.00 0.02 -0.03 0.04 0.01 -0.01 0.03 35 8 -0.01 -0.01 0.01 -0.05 0.03 0.00 0.02 0.01 0.00 36 1 -0.01 -0.12 0.07 -0.06 0.05 -0.10 0.02 0.11 -0.07 37 8 0.03 -0.01 0.05 0.07 -0.06 0.18 0.14 -0.04 0.17 38 1 0.02 0.00 0.04 0.07 -0.06 0.17 0.14 0.03 0.17 39 6 0.00 -0.01 -0.01 -0.01 0.06 -0.05 -0.01 0.03 -0.02 40 8 0.00 -0.01 0.00 0.08 0.11 -0.09 0.06 0.07 -0.05 41 8 -0.01 -0.01 -0.01 -0.01 0.13 -0.07 -0.01 0.08 -0.04 42 6 0.01 0.01 0.01 -0.08 0.03 -0.04 -0.05 0.01 -0.03 43 1 0.00 0.02 0.02 -0.18 0.09 -0.08 -0.11 0.05 -0.05 44 1 0.00 0.03 0.01 -0.05 -0.10 0.03 -0.03 -0.07 0.02 45 1 0.02 0.00 0.03 -0.15 0.02 -0.03 -0.10 0.01 -0.03 46 6 0.04 -0.04 0.02 -0.02 -0.01 0.01 -0.01 0.00 0.01 47 6 0.08 0.07 0.03 0.00 -0.01 0.01 0.00 -0.01 0.00 48 6 -0.01 0.10 0.06 -0.01 -0.01 0.01 0.00 -0.01 0.00 49 6 -0.02 0.09 0.06 0.00 -0.02 0.03 0.00 -0.01 0.01 50 6 -0.01 0.04 0.04 -0.01 -0.03 0.01 0.00 -0.01 0.01 51 1 0.04 -0.03 0.04 -0.03 -0.01 0.01 -0.01 0.00 0.00 52 1 -0.11 0.17 0.20 0.01 -0.02 0.01 0.02 -0.02 -0.01 53 1 -0.04 0.09 0.03 -0.01 -0.01 0.04 0.00 -0.01 0.02 54 1 -0.01 0.08 0.09 -0.03 -0.05 0.00 -0.01 -0.03 0.01 55 1 0.10 0.05 -0.02 -0.01 0.00 0.02 0.00 0.00 0.01 56 8 0.04 -0.04 0.03 -0.01 0.00 0.01 0.00 0.00 0.00 57 8 0.06 0.14 0.18 0.00 -0.02 -0.01 0.00 -0.02 -0.02 58 1 0.10 0.28 0.17 -0.06 -0.02 -0.05 -0.03 -0.03 -0.03 59 8 -0.19 -0.12 -0.10 -0.05 0.02 -0.06 0.00 0.02 0.00 60 1 -0.41 -0.09 -0.03 -0.12 0.10 -0.06 0.00 0.04 -0.01 61 8 0.01 0.02 0.10 0.06 -0.03 0.00 0.01 0.00 0.00 62 1 -0.03 0.07 0.15 0.10 -0.08 -0.02 0.01 -0.01 -0.01 63 6 0.00 -0.06 -0.06 -0.02 0.01 0.02 -0.01 0.00 0.00 64 8 -0.02 -0.03 -0.08 -0.01 0.01 0.01 0.00 0.00 0.00 65 8 0.00 -0.10 -0.13 -0.02 0.03 0.03 -0.01 0.01 0.01 66 6 0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 -0.01 -0.01 67 1 -0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 -0.01 -0.01 68 1 -0.02 -0.28 -0.21 -0.01 0.00 -0.01 -0.01 -0.02 -0.02 69 1 0.13 -0.08 -0.26 0.01 0.00 -0.01 0.01 -0.01 -0.02 70 19 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.01 40 41 42 A A A Frequencies -- 278.1699 298.7631 298.9057 Red. masses -- 4.8669 2.9698 5.5348 Frc consts -- 0.2219 0.1562 0.2914 IR Inten -- 3.2037 19.5327 1.6776 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.02 0.00 0.02 -0.01 0.00 -0.01 0.01 0.01 2 6 -0.02 -0.01 0.02 0.01 0.02 -0.02 -0.01 -0.01 0.01 3 6 -0.02 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.01 4 6 -0.02 -0.01 0.01 0.02 0.00 -0.01 -0.01 0.00 0.01 5 6 -0.02 0.00 0.01 0.03 -0.01 -0.01 -0.02 0.00 0.01 6 1 -0.02 -0.03 -0.01 0.02 0.01 0.00 -0.01 -0.02 0.00 7 1 0.00 -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 0.02 8 1 -0.02 0.00 0.00 0.02 -0.01 0.00 -0.01 0.00 0.00 9 1 -0.03 -0.01 0.03 0.03 0.02 -0.05 -0.01 -0.01 0.02 10 8 -0.03 0.00 0.01 0.03 0.00 -0.01 -0.03 0.00 0.01 11 8 -0.01 -0.03 0.00 -0.01 0.04 -0.01 0.00 -0.01 0.00 12 8 0.02 0.00 0.01 -0.02 -0.01 -0.02 0.01 0.00 0.01 13 1 0.04 -0.02 -0.01 -0.01 0.03 -0.01 0.01 -0.03 0.01 14 8 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 15 1 -0.03 0.01 -0.04 0.03 -0.04 0.01 -0.02 0.02 -0.02 16 6 0.01 0.01 0.01 0.00 -0.01 0.00 0.01 0.01 0.01 17 8 0.01 0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 18 8 0.01 0.00 0.02 -0.01 0.02 0.00 0.01 0.00 0.01 19 6 0.02 -0.02 -0.03 -0.01 0.02 0.02 0.01 -0.01 -0.02 20 1 0.02 -0.02 -0.02 -0.01 0.02 0.02 0.01 -0.01 -0.02 21 1 0.04 -0.02 -0.05 -0.04 0.01 0.04 0.03 -0.01 -0.04 22 1 0.00 -0.05 -0.03 0.01 0.04 0.02 0.00 -0.04 -0.02 23 6 0.02 -0.01 -0.01 -0.03 -0.01 0.00 0.03 -0.01 -0.01 24 6 0.05 0.00 0.01 -0.05 -0.04 0.02 0.07 0.00 -0.06 25 6 0.00 0.02 0.01 -0.03 -0.04 0.02 0.00 0.07 0.02 26 6 -0.01 -0.01 0.00 -0.02 0.01 0.02 -0.01 0.00 0.00 27 6 0.00 -0.01 0.00 -0.02 0.02 0.01 0.01 -0.01 0.00 28 1 -0.04 -0.03 -0.05 -0.01 -0.01 0.01 -0.03 -0.03 -0.05 29 1 -0.01 -0.01 0.01 -0.04 -0.04 0.03 0.01 0.06 0.02 30 1 0.03 -0.04 -0.03 -0.09 0.04 0.05 0.06 -0.04 -0.04 31 1 0.00 0.00 -0.01 -0.03 0.00 0.03 0.02 0.00 -0.01 32 1 -0.01 0.02 0.00 0.01 -0.03 0.01 0.17 0.09 -0.12 33 8 0.10 -0.02 -0.07 -0.05 -0.03 0.04 0.11 0.00 -0.09 34 8 0.10 0.00 0.09 -0.06 -0.10 -0.02 0.03 -0.12 -0.14 35 8 -0.04 0.02 0.00 0.08 0.02 0.01 0.01 0.11 -0.01 36 1 -0.04 -0.02 -0.01 0.06 0.62 -0.35 -0.01 0.36 -0.20 37 8 -0.11 -0.05 -0.01 0.10 0.05 0.03 -0.16 -0.05 0.00 38 1 -0.12 -0.07 -0.07 0.12 0.06 0.12 -0.18 -0.08 -0.10 39 6 0.01 0.02 0.04 -0.02 -0.01 -0.04 0.03 0.01 0.07 40 8 0.00 0.02 0.03 -0.01 0.00 -0.04 0.02 0.01 0.07 41 8 0.00 0.04 0.04 -0.01 -0.01 -0.04 0.01 0.05 0.07 42 6 0.00 -0.05 -0.05 -0.01 0.05 0.02 0.02 -0.09 -0.06 43 1 0.02 -0.11 -0.05 -0.03 0.09 0.02 0.05 -0.19 -0.06 44 1 0.01 -0.08 -0.05 -0.02 0.07 0.02 0.04 -0.16 -0.06 45 1 -0.04 0.00 -0.12 0.01 0.01 0.07 -0.04 -0.03 -0.17 46 6 0.04 0.04 -0.08 -0.02 -0.05 -0.02 -0.09 -0.08 0.08 47 6 -0.05 0.01 -0.03 0.02 0.05 -0.02 0.07 0.03 -0.04 48 6 -0.03 0.05 -0.07 -0.01 0.04 -0.02 0.07 0.02 -0.05 49 6 -0.01 0.02 -0.12 -0.06 -0.02 -0.05 0.03 0.01 -0.02 50 6 0.00 0.01 -0.07 -0.05 -0.10 0.00 0.03 -0.07 0.01 51 1 0.12 0.00 -0.05 -0.08 -0.05 -0.09 -0.19 -0.01 0.08 52 1 -0.11 0.10 0.00 -0.02 0.06 0.05 0.04 0.05 0.01 53 1 -0.05 0.02 -0.16 -0.11 0.01 -0.03 -0.01 0.02 -0.05 54 1 -0.07 -0.05 -0.04 -0.07 -0.10 0.04 0.02 -0.07 0.00 55 1 -0.05 -0.04 -0.08 0.01 -0.01 -0.06 0.04 -0.01 -0.05 56 8 -0.07 -0.05 -0.06 0.04 0.04 0.00 0.05 -0.01 -0.01 57 8 -0.08 0.11 0.19 0.07 0.06 0.09 0.13 0.02 0.04 58 1 0.15 0.24 0.31 0.20 0.08 0.17 0.15 0.05 0.05 59 8 -0.06 -0.12 -0.06 0.03 -0.05 0.06 0.05 -0.10 -0.06 60 1 -0.12 -0.15 -0.04 0.11 -0.20 0.07 0.03 -0.22 -0.02 61 8 0.05 -0.08 -0.10 -0.09 0.03 -0.07 -0.11 0.00 0.04 62 1 0.16 -0.16 -0.08 -0.08 0.00 -0.11 -0.17 0.10 0.13 63 6 0.08 0.02 -0.03 0.02 -0.02 -0.01 -0.13 0.00 0.09 64 8 0.05 -0.02 0.02 0.04 -0.01 -0.02 -0.07 0.06 0.03 65 8 0.07 -0.04 0.03 0.02 0.01 0.00 -0.12 0.17 0.10 66 6 0.01 0.14 0.16 0.02 0.05 0.07 -0.04 -0.04 -0.08 67 1 0.08 0.14 0.13 0.03 0.05 0.06 -0.07 -0.05 -0.07 68 1 0.08 0.27 0.22 0.06 0.11 0.11 -0.10 -0.13 -0.13 69 1 -0.16 0.10 0.24 -0.08 0.03 0.11 0.08 -0.02 -0.13 70 19 -0.02 0.01 0.01 0.00 -0.01 0.00 0.01 0.01 0.00 43 44 45 A A A Frequencies -- 312.3195 319.9045 336.2846 Red. masses -- 5.8315 4.7559 5.1630 Frc consts -- 0.3351 0.2868 0.3440 IR Inten -- 3.4965 2.8415 15.4777 Atom AN X Y Z X Y Z X Y Z 1 6 -0.07 -0.05 0.00 0.06 0.00 0.00 -0.03 0.02 0.00 2 6 0.08 0.03 0.04 -0.01 0.03 -0.06 -0.01 -0.04 0.03 3 6 0.08 0.14 0.08 -0.02 -0.05 -0.07 -0.01 -0.02 0.02 4 6 0.09 0.12 0.01 -0.04 -0.05 -0.03 -0.01 -0.01 0.02 5 6 0.00 0.07 0.00 0.02 -0.06 0.01 -0.04 0.01 0.00 6 1 0.05 0.23 0.13 0.02 -0.08 -0.05 -0.01 -0.05 -0.01 7 1 0.03 0.13 -0.03 -0.03 -0.03 0.00 0.02 -0.03 0.04 8 1 -0.03 0.05 0.08 0.02 -0.06 0.00 -0.02 0.02 -0.02 9 1 0.01 0.01 0.04 0.06 0.04 -0.12 -0.04 -0.04 0.08 10 8 0.06 0.05 0.00 0.01 -0.04 -0.02 -0.06 0.00 0.01 11 8 0.11 -0.05 0.03 -0.03 0.13 0.00 0.01 -0.08 0.01 12 8 -0.02 0.09 0.11 -0.01 -0.09 -0.06 0.01 0.03 -0.01 13 1 -0.15 -0.09 0.24 0.07 0.05 -0.14 -0.11 -0.21 0.11 14 8 0.06 -0.05 0.09 -0.04 0.02 -0.04 0.00 0.01 -0.01 15 1 0.12 0.07 0.21 -0.03 -0.12 -0.12 -0.07 0.20 0.03 16 6 -0.07 -0.09 -0.06 0.04 0.03 0.03 0.00 0.02 0.01 17 8 -0.02 -0.03 -0.05 0.01 0.01 0.02 0.01 0.02 0.02 18 8 -0.03 -0.17 -0.21 0.01 0.11 0.11 0.01 -0.01 0.01 19 6 -0.03 -0.02 -0.01 0.01 0.02 0.02 0.02 -0.02 -0.02 20 1 -0.04 -0.02 -0.01 0.01 0.02 0.02 0.02 -0.02 -0.02 21 1 -0.05 -0.02 0.00 0.00 0.02 0.03 0.05 -0.01 -0.05 22 1 -0.01 0.00 -0.01 0.01 0.04 0.02 -0.01 -0.05 -0.03 23 6 -0.01 -0.07 -0.04 -0.02 -0.06 -0.01 0.05 0.06 0.01 24 6 -0.05 0.00 -0.01 -0.02 -0.01 -0.04 0.09 -0.02 -0.06 25 6 0.00 0.01 0.04 -0.02 0.01 -0.01 0.03 0.04 0.01 26 6 0.02 -0.03 0.05 -0.03 0.01 0.00 0.02 0.01 0.00 27 6 0.07 -0.11 0.00 -0.07 0.03 0.01 0.06 0.02 0.01 28 1 -0.01 -0.01 -0.09 -0.06 -0.09 -0.03 0.01 0.05 -0.02 29 1 0.08 0.01 0.01 -0.04 0.03 0.01 0.05 0.05 0.00 30 1 0.03 -0.03 0.07 -0.03 0.02 0.00 0.07 -0.02 -0.05 31 1 0.05 -0.13 0.04 -0.14 0.02 0.03 0.13 0.04 -0.03 32 1 -0.04 0.04 -0.03 0.00 0.01 -0.06 0.20 0.02 -0.09 33 8 -0.06 -0.06 -0.02 0.00 -0.05 -0.06 0.15 0.05 -0.06 34 8 -0.07 0.01 -0.04 -0.04 0.01 -0.08 0.04 -0.12 -0.14 35 8 -0.07 0.03 0.00 0.05 0.00 0.01 -0.01 0.03 0.01 36 1 -0.08 0.25 -0.25 0.04 0.30 -0.15 -0.03 0.31 -0.26 37 8 -0.06 0.00 -0.02 0.02 0.01 0.02 -0.11 -0.04 0.00 38 1 -0.08 0.04 -0.10 0.03 -0.02 0.08 -0.13 -0.07 -0.09 39 6 -0.01 0.02 0.03 0.03 0.01 0.09 0.02 0.01 -0.01 40 8 0.05 0.04 0.04 0.06 -0.01 0.13 -0.05 0.01 -0.05 41 8 -0.04 0.18 0.00 -0.02 0.14 0.08 0.05 -0.13 0.01 42 6 -0.01 -0.11 -0.09 0.05 -0.21 -0.09 -0.02 0.12 0.05 43 1 -0.01 -0.20 -0.11 0.10 -0.38 -0.10 -0.03 0.19 0.06 44 1 0.04 -0.22 -0.06 0.10 -0.33 -0.09 -0.05 0.19 0.04 45 1 -0.09 -0.04 -0.21 -0.06 -0.09 -0.29 0.04 0.06 0.14 46 6 0.02 -0.01 -0.01 0.03 0.00 -0.01 0.01 -0.04 0.00 47 6 0.00 0.01 0.02 -0.02 0.00 0.04 -0.04 0.02 0.07 48 6 -0.03 0.01 0.04 -0.06 0.01 0.06 -0.12 0.04 0.09 49 6 -0.03 0.00 0.01 -0.03 0.01 0.03 -0.06 0.02 0.01 50 6 -0.03 0.00 0.00 -0.02 0.02 -0.01 -0.01 -0.05 0.00 51 1 0.01 -0.03 -0.04 0.04 -0.02 -0.04 -0.01 -0.06 -0.07 52 1 -0.01 0.00 0.03 -0.04 -0.01 0.03 -0.10 0.02 0.06 53 1 -0.02 0.00 0.03 0.00 0.00 0.03 -0.04 0.00 0.00 54 1 -0.01 0.04 0.02 0.00 0.06 0.03 -0.06 -0.04 0.09 55 1 0.00 0.01 0.01 -0.01 0.01 0.04 -0.03 0.00 0.04 56 8 0.01 0.03 0.02 0.01 0.04 0.05 0.03 0.09 0.11 57 8 0.00 -0.01 -0.02 -0.02 -0.03 -0.05 -0.02 -0.03 -0.04 58 1 -0.04 -0.03 -0.04 -0.12 -0.07 -0.10 -0.16 -0.09 -0.11 59 8 -0.02 0.05 0.05 -0.06 0.09 0.05 -0.13 0.12 0.08 60 1 0.01 0.02 0.04 -0.06 0.09 0.05 -0.13 0.13 0.07 61 8 0.00 0.00 0.00 0.01 -0.01 0.03 -0.03 -0.02 0.02 62 1 -0.05 0.03 -0.03 -0.06 0.05 0.02 -0.10 0.04 0.02 63 6 0.04 -0.02 -0.03 0.05 -0.01 -0.04 0.05 -0.04 -0.05 64 8 0.03 -0.02 -0.02 0.03 -0.03 -0.02 0.06 -0.05 -0.05 65 8 0.04 -0.05 -0.04 0.05 -0.07 -0.06 0.05 -0.07 -0.07 66 6 0.02 0.01 0.03 0.03 0.00 0.02 0.04 0.01 0.04 67 1 0.02 0.01 0.02 0.03 0.00 0.02 0.05 0.01 0.04 68 1 0.04 0.04 0.05 0.05 0.04 0.04 0.10 0.07 0.09 69 1 -0.03 0.00 0.05 -0.02 -0.01 0.04 -0.06 -0.01 0.08 70 19 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 46 47 48 A A A Frequencies -- 346.9239 360.4057 363.7980 Red. masses -- 1.2087 2.2742 3.1837 Frc consts -- 0.0857 0.1740 0.2483 IR Inten -- 43.6491 65.2769 78.3000 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 2 6 -0.01 0.00 0.01 -0.02 -0.01 0.02 -0.03 -0.01 0.03 3 6 0.00 0.01 0.00 -0.02 -0.02 0.04 -0.02 -0.02 0.06 4 6 0.00 0.02 -0.01 0.03 -0.01 0.03 0.04 -0.01 0.03 5 6 0.02 0.01 -0.01 0.03 0.03 -0.02 0.05 0.04 -0.02 6 1 -0.03 0.04 0.01 -0.03 -0.04 0.01 -0.05 -0.04 0.01 7 1 -0.03 0.04 -0.02 0.06 -0.07 0.01 0.08 -0.09 0.01 8 1 0.00 0.00 -0.01 0.05 0.04 -0.04 0.08 0.06 -0.05 9 1 -0.02 0.00 0.01 0.01 0.01 0.04 0.02 0.02 0.04 10 8 0.00 0.01 0.00 0.00 0.01 0.01 0.01 0.02 0.02 11 8 0.00 -0.02 -0.01 -0.08 -0.01 -0.08 -0.13 0.00 -0.12 12 8 0.00 -0.05 0.04 0.01 0.06 0.01 0.02 0.08 0.02 13 1 0.41 0.65 -0.33 0.00 0.07 0.02 0.04 0.14 0.01 14 8 -0.02 0.04 0.04 0.04 -0.02 0.02 0.06 -0.04 0.03 15 1 0.13 -0.49 -0.12 0.00 0.13 0.07 0.03 0.10 0.08 16 6 -0.01 -0.01 -0.01 -0.02 -0.01 -0.01 -0.03 -0.02 -0.02 17 8 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 18 8 0.00 -0.02 -0.02 -0.01 -0.04 -0.05 -0.01 -0.05 -0.06 19 6 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 0.01 20 1 -0.01 0.00 0.00 -0.02 0.00 0.01 -0.03 0.00 0.01 21 1 -0.01 0.00 0.01 -0.02 0.00 0.01 -0.04 0.00 0.02 22 1 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.01 23 6 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 0.03 0.02 24 6 0.01 0.00 0.00 0.00 0.02 -0.01 0.00 -0.01 -0.03 25 6 0.00 0.01 0.00 -0.03 0.04 -0.03 -0.05 -0.03 -0.05 26 6 0.00 0.00 0.00 -0.03 0.03 -0.03 -0.07 0.02 -0.05 27 6 0.00 -0.01 0.00 -0.05 0.05 -0.01 -0.08 0.07 -0.02 28 1 0.00 0.00 0.00 0.00 -0.02 0.03 -0.04 -0.02 0.03 29 1 0.01 0.00 0.00 -0.09 0.03 -0.01 -0.11 0.02 0.00 30 1 0.01 0.00 0.00 -0.03 0.02 -0.05 -0.09 0.02 -0.07 31 1 0.02 -0.01 0.00 -0.01 0.05 -0.01 -0.02 0.08 -0.03 32 1 0.02 0.00 -0.01 0.02 0.04 -0.03 -0.02 -0.06 0.00 33 8 0.01 0.00 0.00 0.01 0.04 -0.02 0.05 0.03 -0.04 34 8 0.01 -0.01 -0.01 -0.02 -0.05 -0.01 0.03 0.05 0.01 35 8 0.00 0.01 0.00 0.07 0.08 -0.04 0.02 -0.11 0.05 36 1 0.00 -0.01 0.01 0.12 -0.60 0.64 -0.02 0.64 -0.50 37 8 -0.01 0.00 0.00 0.05 -0.01 0.05 0.05 -0.02 0.04 38 1 -0.01 0.00 -0.01 0.05 0.03 0.07 0.07 0.00 0.13 39 6 0.00 0.00 0.00 0.02 -0.01 0.01 0.03 0.00 0.03 40 8 0.00 0.00 -0.01 0.02 -0.03 0.04 0.00 -0.01 0.04 41 8 0.01 -0.01 0.00 0.00 0.00 0.02 0.03 -0.06 0.05 42 6 -0.01 0.01 0.00 0.03 -0.06 0.00 0.02 -0.02 0.01 43 1 -0.01 0.02 0.00 0.05 -0.10 0.00 0.04 -0.05 0.02 44 1 -0.01 0.02 0.00 0.04 -0.07 -0.01 0.02 -0.02 0.00 45 1 0.00 0.01 0.01 0.02 -0.04 -0.04 0.02 -0.01 -0.01 46 6 0.00 0.00 0.00 -0.02 -0.05 0.00 0.02 0.06 -0.01 47 6 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 -0.02 0.00 48 6 -0.01 0.00 0.01 -0.02 0.01 0.01 0.02 -0.01 0.00 49 6 0.00 0.00 0.00 -0.03 -0.01 -0.01 0.04 0.02 0.02 50 6 0.00 0.00 0.00 -0.02 -0.06 0.01 0.03 0.07 -0.01 51 1 0.00 0.00 0.00 -0.05 -0.04 -0.03 0.06 0.05 0.02 52 1 -0.01 0.00 0.00 -0.02 0.01 0.02 0.02 -0.02 -0.02 53 1 0.00 0.00 0.00 -0.05 0.01 0.01 0.07 -0.01 -0.01 54 1 0.00 0.00 0.01 -0.03 -0.05 0.03 0.04 0.05 -0.04 55 1 0.00 0.00 0.00 0.01 0.00 -0.02 -0.02 0.00 0.03 56 8 0.00 0.01 0.01 0.03 0.02 0.03 -0.03 -0.01 -0.02 57 8 0.00 0.00 0.00 0.02 0.01 0.01 -0.03 -0.01 -0.01 58 1 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.02 0.00 -0.01 59 8 -0.01 0.01 0.01 -0.01 0.01 0.03 0.00 0.00 -0.04 60 1 -0.01 0.01 0.00 0.01 0.05 0.01 -0.03 -0.03 -0.02 61 8 0.00 0.00 0.00 -0.01 0.01 -0.04 0.01 -0.01 0.05 62 1 0.00 0.00 0.00 0.02 -0.03 -0.07 -0.04 0.05 0.09 63 6 0.00 0.00 0.00 0.00 -0.02 -0.01 0.00 0.03 0.00 64 8 0.00 0.00 0.00 0.02 -0.01 -0.02 -0.01 0.01 0.02 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 66 6 0.00 0.00 0.00 0.01 0.01 0.02 0.00 -0.01 -0.02 67 1 0.00 0.00 0.00 0.01 0.01 0.02 0.00 -0.01 -0.02 68 1 0.01 0.00 0.01 0.03 0.03 0.04 -0.03 -0.03 -0.04 69 1 0.00 0.00 0.01 -0.04 0.00 0.04 0.04 0.00 -0.03 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 50 51 A A A Frequencies -- 382.3731 382.6348 399.0580 Red. masses -- 3.7200 3.2360 3.7253 Frc consts -- 0.3205 0.2791 0.3495 IR Inten -- 12.1920 11.5296 48.1611 Atom AN X Y Z X Y Z X Y Z 1 6 0.04 -0.04 0.01 0.06 -0.06 0.01 0.10 0.01 -0.08 2 6 -0.03 0.00 -0.02 -0.04 0.00 -0.03 0.02 0.02 0.02 3 6 -0.02 0.10 0.00 -0.03 0.15 -0.01 -0.02 -0.05 0.06 4 6 -0.02 0.08 -0.04 -0.04 0.12 -0.06 -0.03 -0.08 0.02 5 6 0.03 0.02 0.02 0.04 0.03 0.03 0.04 -0.04 -0.04 6 1 -0.07 0.16 0.00 -0.09 0.23 0.00 0.02 -0.12 0.05 7 1 -0.07 0.13 -0.04 -0.11 0.20 -0.07 0.02 -0.17 0.00 8 1 0.08 0.05 0.11 0.10 0.07 0.16 0.03 -0.04 -0.03 9 1 -0.07 -0.03 -0.11 -0.11 -0.05 -0.15 0.07 0.04 0.00 10 8 0.02 -0.06 0.01 0.02 -0.09 0.02 0.14 0.07 0.00 11 8 -0.04 -0.01 -0.04 -0.04 -0.02 -0.04 -0.01 0.09 0.07 12 8 0.03 0.02 0.07 0.05 0.02 0.10 -0.02 0.07 -0.01 13 1 -0.03 -0.23 0.10 -0.04 -0.34 0.15 0.07 0.32 -0.07 14 8 -0.02 -0.07 -0.05 -0.03 -0.09 -0.08 -0.02 0.01 -0.03 15 1 0.06 -0.27 -0.10 0.08 -0.41 -0.15 -0.18 0.46 0.08 16 6 0.03 -0.03 0.00 0.04 -0.04 0.01 0.02 -0.03 -0.07 17 8 0.00 -0.03 -0.03 0.00 -0.05 -0.05 -0.01 -0.10 -0.07 18 8 0.01 0.04 0.02 0.01 0.06 0.03 0.01 -0.03 -0.01 19 6 -0.02 0.02 0.02 -0.02 0.03 0.03 -0.06 0.03 0.06 20 1 -0.02 0.03 0.03 -0.02 0.04 0.03 -0.06 0.05 0.08 21 1 -0.07 0.02 0.05 -0.10 0.02 0.07 -0.19 0.03 0.14 22 1 0.03 0.07 0.02 0.04 0.09 0.03 0.06 0.15 0.07 23 6 -0.02 -0.01 0.01 -0.02 -0.01 0.02 -0.07 -0.07 0.02 24 6 0.02 -0.01 0.00 0.02 -0.01 -0.01 0.05 -0.06 0.01 25 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.02 -0.02 0.04 26 6 -0.02 0.01 0.00 -0.02 0.00 0.01 -0.03 0.00 0.04 27 6 -0.03 0.00 0.01 -0.03 -0.01 0.01 -0.07 -0.02 0.04 28 1 -0.04 -0.02 0.00 -0.05 -0.02 0.00 -0.12 -0.09 -0.01 29 1 -0.02 -0.02 0.00 -0.02 0.00 0.00 -0.01 -0.09 0.03 30 1 -0.02 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 0.07 31 1 -0.02 -0.01 0.02 -0.01 -0.02 0.02 -0.16 -0.03 0.07 32 1 0.00 -0.01 0.01 0.04 0.01 -0.03 0.07 -0.01 -0.02 33 8 0.01 -0.03 0.00 0.01 -0.02 -0.01 0.00 -0.14 0.02 34 8 0.03 0.02 0.02 0.01 -0.02 -0.03 0.05 -0.02 -0.03 35 8 0.02 0.00 -0.01 0.03 0.03 -0.02 0.06 0.07 -0.04 36 1 0.02 0.04 0.00 0.04 -0.10 0.13 0.07 -0.08 0.16 37 8 -0.01 0.01 0.01 -0.02 0.01 0.01 -0.10 0.02 0.00 38 1 0.00 -0.04 0.06 0.00 -0.06 0.06 -0.11 0.02 -0.07 39 6 0.00 0.00 0.01 0.00 0.00 0.02 -0.03 0.00 0.02 40 8 -0.01 0.01 -0.01 0.00 0.02 -0.01 -0.02 0.05 -0.04 41 8 0.01 -0.02 0.01 0.03 -0.03 0.01 0.03 -0.02 0.00 42 6 -0.01 0.02 0.00 -0.01 0.02 0.00 -0.04 0.08 -0.01 43 1 -0.02 0.03 0.00 -0.02 0.04 0.00 -0.06 0.12 -0.01 44 1 -0.01 0.02 0.00 -0.01 0.02 0.01 -0.05 0.08 0.01 45 1 -0.01 0.01 0.01 -0.01 0.02 0.02 -0.03 0.05 0.03 46 6 0.04 -0.04 0.09 -0.02 0.03 -0.06 0.00 0.02 -0.01 47 6 -0.02 -0.01 -0.06 0.00 0.00 0.04 -0.01 -0.01 0.00 48 6 -0.10 0.14 -0.06 0.06 -0.08 0.04 0.00 0.02 0.00 49 6 -0.06 0.11 -0.12 0.05 -0.05 0.07 0.03 0.05 0.00 50 6 -0.01 0.05 0.02 0.02 -0.02 -0.02 0.01 0.03 -0.01 51 1 0.05 -0.02 0.13 -0.02 0.02 -0.07 0.03 0.01 0.00 52 1 -0.22 0.18 -0.09 0.12 -0.10 0.04 -0.03 0.02 -0.03 53 1 -0.16 0.12 -0.21 0.11 -0.06 0.11 0.04 0.04 -0.01 54 1 -0.08 0.09 0.17 0.05 -0.05 -0.11 -0.01 0.00 -0.01 55 1 0.01 -0.10 -0.19 -0.01 0.06 0.12 -0.01 0.00 0.02 56 8 0.06 -0.05 0.06 -0.04 0.03 -0.03 -0.03 -0.02 -0.02 57 8 0.03 -0.03 -0.05 -0.02 0.01 0.03 -0.01 -0.02 -0.02 58 1 0.01 -0.07 -0.05 -0.04 0.04 0.01 -0.09 0.00 -0.07 59 8 -0.01 0.01 0.11 0.00 0.00 -0.07 0.00 0.01 -0.01 60 1 0.14 -0.21 0.13 -0.10 0.11 -0.07 -0.01 -0.14 0.04 61 8 0.09 -0.12 -0.06 -0.05 0.07 0.05 0.03 -0.01 0.05 62 1 0.23 -0.20 0.01 -0.20 0.18 0.03 -0.18 0.19 0.09 63 6 0.00 -0.01 0.06 0.00 0.01 -0.04 0.01 0.01 -0.01 64 8 -0.04 0.05 0.06 0.03 -0.03 -0.03 0.00 0.00 0.00 65 8 0.01 0.01 -0.03 -0.01 -0.01 0.01 0.00 -0.01 0.00 66 6 -0.01 -0.04 -0.06 0.01 0.02 0.04 0.00 0.00 0.00 67 1 -0.03 -0.05 -0.08 0.02 0.03 0.05 0.00 0.01 0.01 68 1 -0.09 -0.09 -0.11 0.05 0.05 0.07 0.00 0.01 0.01 69 1 0.11 -0.03 -0.09 -0.06 0.01 0.05 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 53 54 A A A Frequencies -- 403.4689 422.2467 426.6519 Red. masses -- 4.5659 2.1981 3.6601 Frc consts -- 0.4379 0.2309 0.3926 IR Inten -- 7.0243 54.6668 2.4413 Atom AN X Y Z X Y Z X Y Z 1 6 0.11 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 0.01 2 6 0.01 -0.04 0.06 0.00 0.01 0.00 0.00 0.01 -0.01 3 6 -0.05 0.00 0.08 -0.01 0.00 0.02 0.02 0.01 -0.06 4 6 -0.11 -0.03 0.00 -0.01 -0.01 0.01 0.05 0.01 -0.03 5 6 0.01 0.00 -0.04 0.01 0.01 0.00 0.00 -0.04 0.00 6 1 -0.03 -0.05 0.07 0.00 -0.02 0.02 0.00 0.03 -0.06 7 1 -0.08 -0.09 -0.01 0.00 -0.02 0.01 0.02 0.05 -0.03 8 1 0.11 0.05 0.01 0.04 0.03 -0.01 -0.11 -0.10 0.03 9 1 -0.05 -0.07 0.03 0.02 0.01 -0.01 -0.01 0.01 0.00 10 8 0.06 -0.01 0.03 -0.02 -0.01 0.00 0.09 0.06 -0.02 11 8 0.05 -0.04 0.12 -0.02 0.01 -0.03 0.00 0.02 0.05 12 8 0.01 0.08 0.06 0.01 0.01 0.02 -0.03 -0.03 -0.06 13 1 0.13 0.27 -0.05 0.04 0.06 -0.01 -0.13 -0.17 0.04 14 8 -0.09 0.01 -0.10 0.00 -0.01 -0.01 0.02 0.01 0.04 15 1 -0.23 0.27 -0.09 -0.04 0.10 0.02 0.13 -0.22 0.01 16 6 0.05 -0.03 -0.08 0.00 0.00 0.00 -0.02 0.00 0.01 17 8 -0.01 -0.13 -0.09 0.00 -0.01 -0.01 0.00 0.02 0.02 18 8 0.02 0.03 0.04 0.00 0.00 0.00 -0.01 -0.02 -0.02 19 6 -0.06 0.05 0.07 0.00 0.00 0.00 0.01 -0.01 -0.01 20 1 -0.07 0.08 0.10 0.00 0.00 0.00 0.01 -0.01 -0.01 21 1 -0.24 0.04 0.17 -0.01 0.00 0.01 0.04 -0.01 -0.02 22 1 0.09 0.19 0.09 0.01 0.01 0.00 -0.02 -0.03 -0.01 23 6 0.04 0.07 0.00 0.01 0.00 -0.01 -0.09 -0.05 0.04 24 6 -0.07 0.08 -0.03 0.07 -0.03 0.01 -0.07 0.04 -0.07 25 6 -0.01 0.05 -0.03 0.03 -0.01 0.02 -0.02 0.02 -0.05 26 6 0.04 -0.03 -0.05 0.01 0.04 0.01 -0.02 -0.05 0.02 27 6 0.06 0.01 -0.02 -0.01 0.02 -0.01 -0.06 -0.05 0.05 28 1 0.08 0.08 0.02 0.05 0.00 0.03 -0.17 -0.06 -0.04 29 1 0.04 0.13 -0.03 0.01 -0.05 0.01 0.02 0.09 -0.04 30 1 0.06 -0.04 -0.06 0.01 0.03 -0.01 0.02 -0.05 0.07 31 1 0.07 0.06 -0.09 -0.01 0.00 0.02 -0.10 -0.04 0.04 32 1 -0.09 0.04 0.00 0.12 -0.02 0.00 -0.11 0.04 -0.07 33 8 0.01 0.15 -0.05 -0.03 -0.04 0.09 -0.01 -0.01 -0.12 34 8 -0.06 0.02 0.03 0.05 -0.02 -0.05 -0.05 0.04 -0.01 35 8 -0.09 -0.07 0.05 0.01 0.01 -0.01 0.02 -0.02 0.00 36 1 -0.11 0.06 -0.17 0.01 0.06 -0.05 0.03 -0.06 0.08 37 8 0.05 -0.04 -0.06 -0.04 0.01 0.02 0.00 0.00 -0.03 38 1 0.05 0.00 -0.07 -0.03 -0.05 0.03 -0.02 0.07 -0.08 39 6 0.03 0.00 0.01 -0.01 -0.01 -0.05 -0.01 0.01 0.12 40 8 0.02 -0.02 0.03 -0.01 -0.04 -0.02 0.02 0.10 0.01 41 8 0.01 0.00 0.02 -0.07 0.06 -0.05 0.15 -0.11 0.10 42 6 0.03 -0.05 0.01 0.01 -0.02 0.00 -0.04 0.07 0.01 43 1 0.04 -0.08 0.01 0.01 -0.02 0.00 -0.06 0.09 0.00 44 1 0.04 -0.07 0.01 0.00 0.00 -0.01 -0.02 0.02 0.03 45 1 0.02 -0.03 -0.02 0.02 -0.02 0.00 -0.07 0.07 0.00 46 6 0.00 -0.03 0.01 0.04 0.04 0.02 0.03 0.01 0.02 47 6 0.01 0.01 0.00 -0.03 -0.01 0.03 -0.01 0.00 0.01 48 6 -0.01 -0.02 0.00 0.00 -0.03 -0.02 0.00 -0.04 -0.01 49 6 -0.04 -0.06 0.00 0.02 -0.03 -0.03 -0.01 -0.07 -0.02 50 6 -0.01 -0.04 0.01 0.06 0.00 0.00 0.02 0.00 0.01 51 1 -0.04 -0.02 0.00 0.02 0.04 0.01 0.00 0.02 0.01 52 1 0.04 -0.03 0.04 0.00 -0.04 -0.03 0.04 -0.05 0.00 53 1 -0.04 -0.05 0.01 0.03 -0.05 -0.06 0.00 -0.08 -0.02 54 1 0.02 0.00 0.01 0.06 0.01 0.01 0.06 0.04 0.00 55 1 0.02 0.00 -0.02 -0.02 -0.02 0.01 0.01 -0.01 -0.01 56 8 0.04 0.02 0.03 0.05 0.08 0.06 0.05 0.06 0.05 57 8 0.01 0.02 0.02 -0.07 0.01 0.02 -0.03 0.02 0.03 58 1 0.10 0.00 0.09 0.22 -0.11 0.23 0.21 -0.06 0.20 59 8 0.00 -0.01 0.01 0.00 -0.04 -0.03 0.01 -0.03 -0.01 60 1 0.01 0.17 -0.05 -0.06 0.64 -0.20 -0.02 0.50 -0.15 61 8 -0.04 0.01 -0.06 -0.06 -0.01 -0.02 -0.04 -0.01 -0.06 62 1 0.19 -0.21 -0.12 0.38 -0.35 0.03 0.24 -0.26 -0.09 63 6 -0.01 -0.02 0.01 0.00 0.02 0.01 0.00 0.01 0.02 64 8 0.00 0.00 -0.01 -0.02 0.02 0.03 -0.02 0.02 0.03 65 8 -0.01 0.01 0.01 0.00 -0.02 -0.01 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 -0.03 -0.03 0.00 -0.02 -0.03 67 1 -0.01 -0.01 -0.01 -0.01 -0.04 -0.04 -0.01 -0.03 -0.04 68 1 0.00 0.00 0.00 -0.04 -0.06 -0.06 -0.04 -0.05 -0.05 69 1 0.00 -0.01 0.00 0.07 -0.03 -0.04 0.06 -0.02 -0.04 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 56 57 A A A Frequencies -- 435.6309 450.3994 468.6726 Red. masses -- 2.1853 1.5231 1.5031 Frc consts -- 0.2443 0.1820 0.1945 IR Inten -- 17.5934 113.5287 59.6973 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.03 -0.05 0.04 0.00 -0.01 0.00 2 6 0.00 0.00 0.00 0.00 0.02 -0.04 0.00 -0.01 0.01 3 6 0.00 0.00 0.00 0.00 0.05 -0.02 0.00 0.01 -0.01 4 6 0.00 0.00 0.00 -0.01 0.04 -0.04 0.00 0.00 -0.02 5 6 0.00 0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 6 1 0.00 0.00 0.00 -0.02 0.10 -0.01 -0.01 0.01 -0.01 7 1 0.00 0.00 0.00 -0.05 0.07 -0.05 -0.01 0.00 -0.02 8 1 0.00 0.00 0.00 0.05 0.02 0.04 0.00 -0.01 0.01 9 1 0.00 0.00 0.00 -0.02 0.00 -0.07 -0.02 -0.01 0.01 10 8 0.00 0.00 0.00 -0.01 -0.03 0.00 0.02 0.00 0.01 11 8 0.00 0.00 0.00 0.01 0.00 -0.03 0.01 -0.01 0.02 12 8 0.00 0.00 0.00 0.01 -0.04 0.04 0.00 0.00 -0.01 13 1 0.00 0.00 0.00 0.26 0.38 -0.20 -0.01 0.00 0.00 14 8 0.00 0.00 0.00 -0.02 -0.09 -0.03 -0.01 0.00 -0.01 15 1 0.00 0.01 0.00 -0.19 0.73 0.27 -0.01 0.01 0.00 16 6 0.00 0.00 0.00 -0.01 0.00 0.04 -0.01 0.00 0.01 17 8 0.00 0.00 0.00 0.01 0.05 0.03 0.00 0.01 0.01 18 8 0.00 0.00 0.00 -0.01 0.02 0.01 0.00 0.00 0.00 19 6 0.00 0.00 0.00 0.03 -0.01 -0.02 0.00 0.00 0.00 20 1 0.00 0.00 0.00 0.04 -0.02 -0.03 0.01 -0.01 -0.01 21 1 0.00 0.00 0.00 0.09 0.00 -0.05 0.02 0.00 -0.01 22 1 0.00 0.00 0.00 -0.03 -0.05 -0.03 -0.01 -0.01 -0.01 23 6 0.01 0.00 -0.01 0.00 -0.02 -0.01 0.00 0.01 0.00 24 6 -0.01 0.00 -0.01 -0.02 0.01 -0.01 -0.01 0.00 0.00 25 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 26 6 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 27 6 0.00 0.00 0.00 0.01 -0.02 0.00 0.01 0.00 0.00 28 1 0.00 0.00 -0.01 -0.01 0.00 -0.03 0.01 0.01 0.00 29 1 0.00 0.00 0.00 0.01 0.01 0.00 -0.02 0.01 0.01 30 1 -0.01 0.00 0.00 0.01 0.00 0.02 -0.02 -0.01 -0.01 31 1 0.01 0.00 0.00 0.01 -0.03 0.01 0.01 0.01 -0.01 32 1 -0.01 0.00 -0.01 -0.03 0.01 -0.01 0.00 0.00 0.00 33 8 0.01 0.00 -0.02 0.00 -0.01 -0.02 0.01 0.02 -0.01 34 8 -0.01 -0.01 -0.01 -0.02 0.01 0.00 -0.01 -0.02 0.00 35 8 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 36 1 0.00 0.04 -0.01 0.00 -0.02 0.01 0.00 -0.01 0.03 37 8 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 38 1 0.00 0.01 0.00 0.02 -0.05 0.06 0.01 0.03 -0.02 39 6 0.00 0.00 0.01 0.00 0.00 0.02 0.00 0.00 0.00 40 8 0.00 0.01 0.00 0.00 0.02 0.00 0.00 0.00 0.00 41 8 0.01 -0.01 0.01 0.03 -0.02 0.02 0.00 0.00 0.00 42 6 0.00 0.01 0.00 -0.01 0.02 0.00 0.00 -0.01 0.00 43 1 0.00 0.01 0.00 -0.01 0.02 0.00 0.00 -0.01 0.00 44 1 0.00 0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 45 1 0.00 0.01 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46 6 -0.05 -0.03 -0.03 0.00 0.00 0.00 -0.02 -0.01 -0.01 47 6 0.02 0.02 -0.02 0.00 0.00 0.00 -0.03 -0.04 -0.03 48 6 0.02 0.07 0.01 0.00 -0.01 0.00 -0.01 0.02 -0.03 49 6 -0.01 0.09 0.04 0.00 -0.01 0.00 0.02 0.06 0.03 50 6 -0.06 0.01 0.00 0.00 0.00 0.00 -0.02 -0.01 0.02 51 1 -0.03 -0.04 -0.01 0.00 0.00 0.00 -0.08 0.02 -0.03 52 1 -0.06 0.10 0.01 0.01 -0.01 0.01 -0.05 0.01 -0.10 53 1 -0.09 0.11 -0.01 0.00 -0.01 0.00 0.00 0.07 0.05 54 1 -0.07 -0.02 -0.02 0.01 0.01 0.00 -0.03 -0.02 0.03 55 1 0.00 0.03 0.00 0.01 0.00 0.00 -0.02 -0.06 -0.05 56 8 -0.07 -0.09 -0.08 0.00 0.00 0.00 0.03 0.03 -0.03 57 8 0.06 -0.01 -0.05 0.00 0.00 0.00 -0.07 -0.01 -0.04 58 1 -0.05 -0.07 -0.11 0.01 0.00 0.00 0.70 -0.32 0.53 59 8 0.04 -0.07 0.06 0.00 0.00 0.00 0.00 0.02 -0.01 60 1 0.02 0.56 -0.12 0.00 0.01 0.00 0.03 -0.12 0.02 61 8 -0.04 0.04 0.11 0.00 0.00 -0.01 0.05 0.00 0.08 62 1 0.54 -0.38 0.23 0.00 -0.01 -0.02 -0.07 0.12 0.12 63 6 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 -0.02 0.00 64 8 0.03 -0.03 -0.05 0.00 0.00 0.00 0.01 -0.01 -0.02 65 8 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 66 6 0.01 0.03 0.04 0.00 0.00 0.00 0.01 0.01 0.01 67 1 0.02 0.05 0.06 0.00 0.00 0.00 0.01 0.01 0.01 68 1 0.06 0.07 0.08 0.00 0.00 0.00 0.03 0.02 0.02 69 1 -0.08 0.03 0.05 0.00 0.00 0.00 -0.03 0.00 0.02 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 59 60 A A A Frequencies -- 468.9905 479.6255 486.0446 Red. masses -- 6.1784 6.6138 4.8213 Frc consts -- 0.8007 0.8964 0.6711 IR Inten -- 6.0347 1.6346 7.6555 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.09 0.07 0.00 -0.02 0.01 0.02 0.04 -0.03 2 6 -0.05 -0.02 0.08 0.02 -0.01 0.03 -0.05 -0.05 -0.01 3 6 -0.06 0.05 -0.07 -0.01 0.00 0.01 0.03 0.05 -0.08 4 6 -0.02 0.00 -0.18 -0.03 -0.02 -0.03 0.08 0.10 0.00 5 6 0.17 -0.11 -0.08 0.04 -0.02 -0.03 -0.13 -0.01 0.07 6 1 -0.15 0.10 -0.12 0.00 -0.01 0.01 -0.08 0.15 -0.12 7 1 -0.10 -0.03 -0.26 -0.04 -0.05 -0.06 0.03 0.24 0.05 8 1 0.08 -0.16 0.05 0.06 0.00 -0.02 -0.26 -0.09 0.12 9 1 -0.14 -0.07 0.03 -0.02 -0.03 0.02 -0.10 -0.06 0.04 10 8 0.27 0.07 0.14 0.03 -0.01 0.05 0.00 0.06 -0.08 11 8 -0.05 -0.03 0.10 0.03 -0.03 0.03 -0.03 -0.04 0.08 12 8 -0.05 0.03 -0.07 -0.01 0.03 0.00 0.00 -0.10 -0.02 13 1 -0.11 -0.04 0.00 -0.04 -0.01 0.03 0.11 0.07 -0.12 14 8 -0.11 -0.04 -0.08 -0.05 0.01 -0.04 0.08 -0.05 0.08 15 1 -0.03 -0.09 -0.03 -0.04 -0.08 -0.08 0.08 0.31 0.29 16 6 -0.09 0.03 0.07 -0.02 0.01 0.01 0.05 -0.02 -0.03 17 8 0.00 0.15 0.13 0.00 0.04 0.03 0.00 -0.07 -0.07 18 8 -0.05 -0.07 -0.06 -0.02 -0.01 -0.01 0.03 0.03 0.03 19 6 0.05 -0.02 -0.03 0.01 0.00 -0.01 -0.02 0.01 0.01 20 1 0.06 -0.07 -0.07 0.02 -0.02 -0.02 -0.02 0.03 0.03 21 1 0.24 -0.02 -0.12 0.06 0.00 -0.03 -0.11 0.01 0.06 22 1 -0.12 -0.16 -0.06 -0.03 -0.04 -0.01 0.06 0.09 0.02 23 6 -0.03 0.05 0.06 0.06 0.03 -0.02 -0.04 0.07 0.10 24 6 0.04 0.01 0.00 -0.02 -0.05 0.00 -0.01 -0.02 -0.04 25 6 0.01 0.00 -0.03 -0.05 -0.03 0.02 0.00 -0.06 -0.11 26 6 0.00 0.00 0.00 -0.03 0.00 0.01 -0.04 0.01 0.08 27 6 -0.04 0.04 0.05 0.05 0.02 0.00 -0.02 0.06 0.14 28 1 0.01 0.00 0.14 0.04 0.02 -0.03 -0.03 -0.01 0.17 29 1 0.01 0.01 -0.03 -0.05 -0.05 0.02 0.07 -0.03 -0.13 30 1 0.02 -0.01 -0.02 -0.10 0.02 0.00 -0.06 0.03 0.10 31 1 -0.02 0.08 0.00 0.09 0.02 0.00 0.07 0.07 0.10 32 1 0.06 -0.04 0.03 0.05 -0.03 -0.02 -0.03 -0.14 0.03 33 8 0.02 0.09 0.05 0.07 0.03 -0.05 0.04 0.15 0.00 34 8 0.06 -0.01 0.02 -0.09 -0.10 -0.09 0.01 -0.02 0.02 35 8 0.01 -0.04 -0.01 0.04 0.04 -0.02 0.13 -0.12 -0.09 36 1 0.01 0.06 -0.08 0.05 -0.04 0.17 0.14 0.02 0.00 37 8 -0.05 -0.01 -0.02 -0.01 0.01 0.03 -0.14 0.05 0.05 38 1 -0.10 0.12 -0.22 -0.03 0.08 -0.04 -0.19 0.13 -0.20 39 6 -0.01 -0.02 -0.05 0.02 0.01 -0.02 -0.03 -0.03 -0.04 40 8 0.02 -0.05 -0.01 -0.01 -0.01 0.00 0.03 -0.05 -0.02 41 8 -0.06 0.06 -0.06 -0.01 0.00 0.00 -0.04 0.05 -0.06 42 6 0.03 -0.05 0.01 0.00 0.00 0.00 0.03 -0.05 0.02 43 1 0.02 -0.05 0.01 0.01 -0.01 0.00 0.01 -0.04 0.01 44 1 0.03 -0.05 0.01 0.00 0.01 -0.01 0.03 -0.06 0.02 45 1 0.03 -0.06 0.02 0.01 0.00 0.00 0.03 -0.06 0.02 46 6 0.00 -0.02 0.01 0.00 0.11 -0.05 -0.01 0.01 0.00 47 6 0.00 0.01 0.02 -0.01 0.01 -0.03 0.00 0.00 -0.01 48 6 0.00 0.02 0.00 0.02 -0.04 0.02 0.00 0.00 0.00 49 6 0.01 0.01 -0.02 -0.05 -0.04 0.08 -0.01 0.00 0.01 50 6 0.04 0.00 -0.01 -0.13 -0.04 0.01 -0.01 -0.01 0.01 51 1 0.02 -0.01 0.04 0.01 0.01 -0.20 -0.01 0.00 -0.02 52 1 -0.02 0.03 0.01 0.08 -0.05 0.06 0.00 0.00 0.00 53 1 0.00 0.01 -0.05 -0.05 -0.02 0.12 -0.01 0.01 0.02 54 1 0.01 -0.02 0.01 -0.13 -0.11 -0.07 -0.02 -0.03 0.00 55 1 0.00 0.01 0.01 -0.06 0.05 0.05 -0.01 0.00 0.00 56 8 -0.01 -0.01 0.04 -0.09 -0.01 -0.17 -0.01 -0.01 -0.02 57 8 0.02 -0.01 0.01 0.02 0.01 0.02 0.00 0.00 0.00 58 1 -0.28 0.10 -0.21 0.02 0.05 0.01 0.03 -0.01 0.02 59 8 -0.01 -0.01 0.00 0.02 0.00 0.02 0.00 0.00 0.00 60 1 -0.02 -0.01 0.00 0.05 -0.07 0.03 0.01 -0.09 0.03 61 8 -0.02 0.00 -0.01 0.01 0.03 0.01 0.00 0.01 0.01 62 1 0.04 -0.04 0.02 0.05 -0.05 -0.07 0.05 -0.03 0.00 63 6 -0.02 -0.02 -0.02 0.14 0.14 0.11 0.01 0.01 0.01 64 8 0.02 -0.03 -0.05 -0.11 0.15 0.30 0.00 0.01 0.02 65 8 -0.03 0.02 0.02 0.17 -0.14 -0.12 0.01 0.00 -0.01 66 6 0.00 0.01 0.01 0.00 -0.04 -0.06 0.00 0.00 0.00 67 1 0.00 0.02 0.02 -0.01 -0.09 -0.14 0.00 0.00 0.00 68 1 0.04 0.03 0.04 -0.25 -0.19 -0.24 -0.01 0.00 -0.01 69 1 -0.06 0.01 0.02 0.39 -0.03 -0.13 0.02 0.00 0.00 70 19 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61 62 63 A A A Frequencies -- 499.8352 508.2043 520.0238 Red. masses -- 4.3435 1.2165 3.5797 Frc consts -- 0.6394 0.1851 0.5704 IR Inten -- 11.2649 204.0056 43.9913 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 0.02 -0.02 0.00 0.00 0.00 -0.01 -0.01 0.00 2 6 -0.07 -0.05 0.03 -0.01 -0.01 0.01 0.05 0.01 -0.01 3 6 0.00 0.04 -0.08 0.00 0.00 -0.01 0.02 -0.01 0.03 4 6 0.07 0.08 -0.03 0.01 0.01 0.00 -0.03 -0.03 0.01 5 6 -0.08 -0.02 0.04 -0.01 0.00 0.00 0.02 0.01 -0.02 6 1 -0.12 0.13 -0.14 -0.01 0.01 -0.02 0.08 -0.05 0.07 7 1 0.02 0.19 0.00 0.00 0.02 0.00 -0.02 -0.06 0.00 8 1 -0.20 -0.10 0.10 -0.02 -0.01 0.01 0.07 0.05 -0.04 9 1 -0.11 -0.06 0.07 -0.02 -0.01 0.01 0.05 0.01 -0.02 10 8 0.03 0.06 -0.03 0.00 0.01 0.00 -0.03 -0.03 0.00 11 8 -0.05 -0.03 0.09 0.00 -0.01 0.01 0.06 -0.01 -0.02 12 8 -0.01 -0.07 -0.04 0.00 -0.01 0.00 0.00 0.02 0.02 13 1 0.04 0.00 -0.09 0.01 0.00 -0.01 -0.01 0.03 0.03 14 8 0.05 -0.04 0.06 0.00 0.00 0.00 -0.03 0.02 -0.02 15 1 0.09 0.16 0.22 0.01 0.02 0.02 -0.06 -0.03 -0.08 16 6 0.03 -0.01 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 17 8 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 0.02 0.01 18 8 0.02 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 19 6 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 0.00 0.00 20 1 -0.01 0.02 0.02 0.00 0.00 0.00 0.01 -0.01 -0.01 21 1 -0.07 0.00 0.04 -0.01 0.00 0.00 0.03 0.00 -0.01 22 1 0.03 0.05 0.01 0.00 0.00 0.00 -0.01 -0.02 -0.01 23 6 -0.03 0.00 0.01 0.01 0.01 0.00 0.01 0.01 0.00 24 6 0.04 0.03 0.02 0.00 0.00 0.03 -0.09 -0.01 -0.02 25 6 -0.06 0.09 0.07 -0.02 -0.01 0.02 -0.05 -0.04 -0.03 26 6 -0.01 -0.04 -0.11 -0.01 -0.01 -0.01 -0.04 -0.02 0.05 27 6 -0.08 -0.01 -0.07 0.00 0.01 0.00 0.05 -0.02 0.03 28 1 -0.02 0.00 0.03 0.00 -0.01 0.01 0.02 0.04 -0.01 29 1 -0.17 0.09 0.12 -0.03 -0.02 0.02 -0.01 -0.01 -0.04 30 1 0.04 -0.06 -0.13 -0.03 -0.01 -0.01 -0.10 0.01 0.07 31 1 -0.12 0.03 -0.14 0.00 0.01 -0.02 0.09 -0.02 0.03 32 1 0.15 0.12 -0.05 0.00 0.00 0.03 -0.08 -0.04 0.00 33 8 -0.02 0.00 0.04 0.03 0.01 0.00 -0.02 0.05 -0.04 34 8 0.06 -0.10 -0.02 0.00 0.00 0.01 -0.05 -0.04 0.00 35 8 -0.12 0.13 0.10 -0.01 0.01 0.01 0.05 -0.02 -0.03 36 1 -0.13 0.06 0.03 -0.01 0.02 -0.01 0.06 0.02 0.08 37 8 0.16 -0.07 -0.08 0.02 -0.01 -0.01 -0.02 0.03 0.03 38 1 0.17 0.08 -0.02 0.01 0.03 -0.01 -0.02 0.02 0.06 39 6 0.01 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 40 8 0.00 -0.01 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 41 8 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 42 6 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 44 1 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 45 1 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 46 6 0.00 0.04 0.00 0.01 -0.01 0.00 -0.03 0.02 0.04 47 6 -0.04 -0.02 0.01 0.01 0.02 0.00 -0.07 -0.04 0.00 48 6 0.01 0.04 -0.05 -0.01 0.02 0.00 0.04 0.06 -0.13 49 6 0.04 0.07 -0.02 0.00 0.00 -0.03 0.03 0.10 -0.03 50 6 0.03 -0.04 0.01 0.00 0.01 -0.01 0.00 -0.03 0.06 51 1 0.00 0.02 -0.05 0.02 -0.01 0.02 -0.09 0.04 -0.02 52 1 -0.05 0.05 -0.10 -0.04 0.03 0.00 -0.08 0.08 -0.25 53 1 -0.03 0.09 -0.04 -0.02 0.01 -0.03 -0.13 0.17 -0.06 54 1 -0.02 -0.10 0.02 -0.02 0.01 0.01 -0.01 -0.02 0.09 55 1 -0.08 -0.03 0.02 0.01 0.02 -0.01 -0.14 -0.09 0.00 56 8 -0.02 0.06 0.02 -0.01 -0.03 -0.01 0.02 0.14 0.08 57 8 -0.04 -0.04 0.02 0.02 0.02 -0.01 -0.08 -0.06 0.05 58 1 -0.34 0.12 -0.21 0.04 -0.06 0.02 -0.54 0.22 -0.30 59 8 0.03 -0.03 -0.04 0.01 -0.04 0.04 0.12 -0.11 -0.08 60 1 0.01 -0.12 -0.01 -0.03 0.66 -0.16 0.08 0.10 -0.13 61 8 0.00 0.01 0.05 0.03 -0.05 -0.02 0.06 -0.03 0.06 62 1 0.12 -0.04 0.15 -0.56 0.43 -0.06 -0.12 0.17 0.16 63 6 0.02 0.04 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 64 8 -0.01 0.01 0.04 -0.01 0.01 0.01 0.03 -0.01 -0.01 65 8 0.02 -0.04 -0.03 0.00 0.00 0.00 -0.01 -0.03 -0.05 66 6 0.01 -0.01 -0.01 0.00 0.00 0.00 0.05 0.00 0.01 67 1 0.01 -0.02 -0.02 0.00 0.00 0.00 0.04 0.00 0.01 68 1 -0.02 -0.03 -0.03 -0.01 0.00 -0.01 0.06 0.01 0.02 69 1 0.05 -0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.02 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 65 66 A A A Frequencies -- 541.5379 550.2887 572.2332 Red. masses -- 1.8891 1.9914 6.2805 Frc consts -- 0.3264 0.3553 1.2117 IR Inten -- 54.1630 66.8506 39.4453 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.01 0.01 -0.02 0.01 0.01 -0.02 2 6 -0.02 -0.04 0.01 0.02 -0.02 0.07 -0.01 -0.06 0.07 3 6 -0.02 0.00 -0.01 0.04 0.03 -0.03 0.01 0.03 -0.03 4 6 0.00 0.01 0.00 0.02 0.02 -0.05 0.02 0.04 -0.05 5 6 0.00 0.01 0.01 -0.04 -0.06 -0.01 -0.03 -0.04 -0.01 6 1 -0.05 0.01 -0.03 -0.01 0.08 -0.04 -0.07 0.08 -0.06 7 1 0.00 0.02 0.00 -0.02 0.08 -0.05 -0.02 0.09 -0.04 8 1 0.00 0.01 0.02 -0.11 -0.10 0.01 -0.10 -0.07 0.03 9 1 -0.04 -0.04 0.02 -0.03 -0.03 0.10 -0.04 -0.06 0.10 10 8 0.00 0.00 0.00 0.01 0.02 0.07 0.01 0.01 0.05 11 8 0.00 -0.02 0.04 0.02 -0.05 0.04 -0.01 -0.04 0.05 12 8 0.00 -0.01 0.00 -0.02 -0.01 -0.03 -0.01 -0.01 -0.01 13 1 0.02 -0.01 -0.02 -0.06 0.02 0.02 -0.01 0.01 -0.01 14 8 0.00 -0.01 0.00 -0.02 0.01 0.01 -0.01 0.00 0.01 15 1 0.00 0.02 0.01 0.03 0.02 0.06 0.03 0.02 0.06 16 6 0.01 0.00 0.01 0.00 0.02 -0.04 0.01 0.01 -0.02 17 8 0.00 0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.01 18 8 0.01 0.01 0.01 0.00 -0.01 0.01 0.00 0.00 0.02 19 6 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 20 1 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 21 1 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 22 1 0.00 0.01 0.00 0.02 0.02 0.01 0.02 0.01 0.00 23 6 0.08 0.00 -0.05 0.06 0.01 -0.05 0.01 0.01 -0.17 24 6 -0.01 -0.04 0.05 -0.01 -0.04 0.03 0.00 0.00 -0.09 25 6 -0.05 -0.06 0.04 -0.06 -0.05 0.02 0.11 0.10 -0.09 26 6 -0.05 0.01 -0.01 -0.07 0.03 -0.02 0.11 0.25 -0.09 27 6 0.02 0.02 -0.03 0.01 0.02 -0.03 0.02 0.09 -0.13 28 1 0.05 -0.02 -0.06 0.04 -0.01 -0.05 0.04 0.07 -0.19 29 1 -0.10 -0.12 0.05 -0.13 -0.09 0.03 0.10 0.12 -0.08 30 1 -0.15 0.03 -0.05 -0.14 0.06 -0.03 0.15 0.20 -0.22 31 1 0.03 0.01 -0.01 0.04 0.01 -0.03 0.02 -0.01 0.01 32 1 -0.03 -0.04 0.05 -0.03 -0.04 0.04 -0.09 0.01 -0.09 33 8 0.06 -0.06 -0.02 0.05 -0.04 -0.02 -0.19 -0.13 0.06 34 8 -0.06 0.06 -0.04 -0.04 0.05 -0.03 0.06 0.00 0.09 35 8 0.01 0.03 -0.01 0.02 0.01 -0.01 0.02 -0.07 -0.01 36 1 0.02 0.04 0.07 0.03 0.02 0.10 0.01 -0.01 -0.16 37 8 0.03 -0.02 0.06 -0.02 0.04 0.02 -0.07 0.02 0.14 38 1 -0.14 0.65 -0.61 0.14 -0.52 0.69 -0.15 0.07 -0.21 39 6 0.06 0.03 -0.02 0.05 0.02 -0.02 0.08 0.07 0.00 40 8 -0.03 0.00 0.01 -0.02 0.00 0.01 -0.01 0.02 0.07 41 8 -0.02 -0.01 0.01 -0.01 -0.01 0.01 0.04 -0.09 0.06 42 6 -0.01 0.02 -0.01 0.00 0.01 0.00 0.01 -0.01 0.00 43 1 0.01 0.00 0.00 0.01 -0.01 0.00 0.06 -0.08 0.02 44 1 -0.01 0.04 -0.02 -0.01 0.02 -0.02 0.02 -0.03 -0.02 45 1 0.01 0.02 -0.01 0.01 0.01 -0.01 -0.02 0.03 -0.06 46 6 0.02 0.01 0.01 0.02 0.01 0.00 -0.12 -0.03 0.06 47 6 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.04 0.04 -0.01 48 6 0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.01 49 6 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.01 50 6 0.00 0.05 -0.01 0.00 0.04 -0.01 -0.03 -0.04 0.02 51 1 0.03 0.01 0.03 0.04 0.00 0.02 -0.23 0.07 0.09 52 1 0.02 -0.02 -0.01 0.01 -0.02 0.00 0.03 -0.01 0.00 53 1 0.02 -0.02 -0.01 0.02 -0.02 -0.01 -0.02 0.00 0.03 54 1 0.05 0.11 0.00 0.04 0.09 0.00 -0.05 -0.08 0.00 55 1 0.02 -0.01 0.00 0.02 0.00 0.00 -0.09 0.04 0.03 56 8 0.02 0.01 0.02 0.02 0.00 0.02 -0.05 0.03 -0.02 57 8 -0.01 0.00 0.01 -0.01 0.00 0.00 0.03 0.00 0.00 58 1 -0.02 0.03 -0.01 0.00 0.01 0.00 0.01 -0.04 0.00 59 8 0.01 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.02 -0.02 60 1 0.01 -0.06 0.00 0.01 -0.04 0.00 0.01 0.06 -0.04 61 8 0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.02 -0.02 62 1 0.09 -0.08 -0.01 0.07 -0.06 -0.01 -0.21 0.15 -0.07 63 6 -0.01 0.00 -0.01 -0.01 0.00 -0.02 -0.04 -0.09 0.10 64 8 0.01 -0.02 -0.03 0.00 -0.01 -0.02 0.04 0.04 0.03 65 8 -0.02 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.03 -0.13 66 6 0.00 0.00 0.00 -0.01 0.00 0.00 0.11 0.02 0.04 67 1 0.00 0.00 0.01 -0.01 0.00 0.00 0.10 0.02 0.03 68 1 0.02 0.01 0.02 0.01 0.01 0.01 0.09 0.03 0.03 69 1 -0.04 0.00 0.00 -0.03 0.00 0.00 0.09 0.02 0.04 70 19 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 68 69 A A A Frequencies -- 578.8416 589.0689 600.5376 Red. masses -- 5.8378 5.5205 4.3134 Frc consts -- 1.1524 1.1287 0.9165 IR Inten -- 60.1649 19.3063 26.4474 Atom AN X Y Z X Y Z X Y Z 1 6 -0.02 -0.02 -0.04 -0.09 -0.10 -0.13 0.01 0.01 0.02 2 6 0.06 -0.04 0.02 0.02 -0.03 -0.02 0.07 0.00 0.01 3 6 0.05 0.02 0.02 0.00 0.04 0.10 0.06 0.00 0.00 4 6 0.00 0.00 -0.03 0.09 -0.05 -0.11 -0.04 0.01 0.02 5 6 -0.03 -0.03 -0.04 -0.09 -0.16 -0.15 0.01 0.04 0.02 6 1 0.07 0.04 0.06 -0.02 0.12 0.15 0.11 -0.03 0.03 7 1 -0.02 0.01 -0.04 0.12 -0.13 -0.14 -0.06 0.04 0.02 8 1 -0.06 -0.04 -0.02 -0.35 -0.32 -0.12 0.10 0.09 0.01 9 1 0.04 -0.04 0.03 0.02 -0.06 -0.11 0.05 0.01 0.04 10 8 -0.02 -0.03 0.00 -0.01 -0.06 -0.09 -0.02 -0.01 0.02 11 8 0.07 -0.04 0.04 -0.01 0.01 0.00 0.07 -0.03 0.01 12 8 -0.01 0.02 0.03 -0.01 0.15 0.13 0.00 -0.03 -0.02 13 1 -0.02 0.07 0.05 -0.01 0.13 0.13 -0.03 0.02 0.01 14 8 -0.03 0.03 0.00 0.03 0.06 0.08 -0.03 0.01 -0.03 15 1 -0.01 0.00 0.00 0.17 -0.08 0.15 -0.08 0.02 -0.07 16 6 -0.02 0.00 -0.02 -0.07 -0.04 -0.09 0.01 0.01 0.01 17 8 0.02 0.00 0.01 0.09 -0.01 0.02 -0.01 0.01 0.00 18 8 -0.03 0.02 0.04 -0.17 0.10 0.16 0.02 -0.01 -0.02 19 6 0.05 0.01 -0.01 0.21 0.04 -0.02 -0.03 -0.01 0.00 20 1 0.04 0.00 -0.01 0.20 0.02 -0.03 -0.03 0.00 0.00 21 1 0.05 0.01 -0.01 0.22 0.04 -0.04 -0.03 -0.01 0.00 22 1 0.03 -0.01 -0.01 0.14 -0.01 -0.04 -0.02 0.00 0.01 23 6 -0.03 0.02 -0.07 -0.02 -0.01 0.04 -0.02 0.00 0.01 24 6 -0.05 -0.01 -0.10 0.02 0.00 0.01 -0.02 -0.01 -0.04 25 6 -0.07 0.03 -0.08 -0.02 -0.01 0.01 -0.14 -0.02 -0.03 26 6 -0.05 0.09 -0.04 -0.03 -0.04 0.00 -0.12 -0.03 -0.01 27 6 0.03 0.00 -0.06 -0.02 -0.01 0.02 0.02 -0.05 -0.01 28 1 0.02 0.11 -0.08 -0.03 -0.02 0.05 0.02 0.06 0.00 29 1 -0.09 0.09 -0.05 -0.04 -0.01 0.02 -0.19 0.01 0.00 30 1 -0.08 0.09 -0.07 -0.03 -0.03 0.02 -0.18 0.00 0.03 31 1 0.07 -0.04 0.00 -0.03 0.01 -0.01 0.05 -0.05 -0.02 32 1 -0.01 0.01 -0.13 0.02 0.00 0.01 0.01 -0.02 -0.04 33 8 -0.16 0.00 0.03 0.03 0.02 0.00 -0.04 0.04 0.01 34 8 0.07 -0.13 0.03 0.02 0.01 0.00 0.08 -0.04 0.02 35 8 0.04 -0.02 -0.01 -0.01 0.01 0.01 0.02 0.02 0.00 36 1 0.05 0.09 0.06 0.00 0.01 0.03 0.04 0.09 0.17 37 8 -0.01 0.01 0.10 0.02 -0.01 -0.02 0.03 0.01 0.03 38 1 -0.07 0.25 -0.16 0.00 0.14 -0.11 0.02 0.17 0.03 39 6 -0.01 0.02 0.02 -0.02 -0.01 0.00 -0.04 -0.02 0.02 40 8 0.02 0.02 0.04 0.01 -0.01 -0.01 0.01 0.01 0.00 41 8 0.04 -0.04 0.02 0.00 0.02 -0.01 0.02 0.00 -0.01 42 6 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.02 -0.05 0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 44 1 0.02 -0.05 0.01 0.00 0.00 0.01 0.01 -0.02 0.01 45 1 -0.02 0.01 -0.03 0.00 -0.01 0.01 -0.01 0.00 0.00 46 6 0.18 0.05 -0.12 -0.04 0.00 0.03 -0.02 0.02 0.05 47 6 0.05 -0.05 0.00 -0.01 0.03 0.02 -0.03 0.11 0.13 48 6 -0.03 0.04 0.01 0.01 0.00 0.01 0.06 0.07 0.04 49 6 0.01 0.05 -0.01 0.02 -0.01 -0.02 0.08 0.01 -0.09 50 6 0.06 -0.08 0.01 0.02 0.02 -0.02 0.09 0.01 -0.05 51 1 0.35 -0.14 -0.23 -0.05 0.03 0.08 0.13 -0.04 0.14 52 1 -0.11 0.07 -0.01 0.03 0.00 0.03 0.06 0.08 0.08 53 1 -0.04 0.07 -0.02 0.04 -0.03 -0.03 0.09 -0.03 -0.15 54 1 -0.03 -0.14 0.07 0.02 0.01 -0.04 0.06 -0.04 -0.07 55 1 0.10 -0.06 -0.07 -0.02 0.04 0.04 -0.03 0.17 0.18 56 8 0.05 -0.07 0.00 -0.04 0.00 0.02 -0.16 -0.08 0.14 57 8 -0.03 0.00 0.00 0.02 0.00 -0.02 0.08 0.01 -0.12 58 1 -0.04 0.05 -0.02 0.07 -0.09 0.03 0.29 -0.44 0.13 59 8 -0.05 0.02 0.06 0.00 0.00 -0.02 -0.01 0.00 -0.08 60 1 -0.03 0.12 0.02 -0.03 -0.05 0.01 -0.16 -0.20 0.03 61 8 0.00 0.02 0.04 -0.01 0.00 -0.02 -0.06 -0.01 -0.07 62 1 -0.05 0.09 0.10 0.02 -0.03 -0.01 0.02 -0.03 0.02 63 6 0.09 0.17 -0.15 -0.03 -0.03 0.04 -0.03 0.05 0.00 64 8 -0.07 -0.05 -0.01 0.02 0.01 0.01 0.02 0.00 0.04 65 8 0.04 0.05 0.21 -0.01 -0.02 -0.05 -0.03 -0.05 -0.06 66 6 -0.18 -0.04 -0.06 0.05 0.01 0.02 0.08 0.01 0.03 67 1 -0.16 -0.03 -0.06 0.04 0.01 0.02 0.07 0.01 0.02 68 1 -0.18 -0.05 -0.06 0.05 0.01 0.01 0.06 0.01 0.02 69 1 -0.11 -0.03 -0.07 0.04 0.01 0.02 0.07 0.01 0.02 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 71 72 A A A Frequencies -- 619.3889 623.0292 641.3590 Red. masses -- 5.4874 4.8277 7.5304 Frc consts -- 1.2404 1.1041 1.8250 IR Inten -- 15.3206 6.2651 9.2022 Atom AN X Y Z X Y Z X Y Z 1 6 -0.09 0.00 0.08 -0.02 0.00 0.02 0.34 0.16 -0.20 2 6 0.07 0.16 0.13 -0.07 0.05 0.02 0.03 -0.04 -0.07 3 6 0.13 0.06 -0.04 -0.06 0.01 -0.02 0.03 0.08 0.00 4 6 0.04 -0.01 -0.12 0.04 -0.01 -0.04 0.03 0.01 -0.02 5 6 -0.02 -0.14 -0.04 0.00 -0.06 -0.02 -0.08 -0.21 0.03 6 1 0.12 0.11 -0.01 -0.11 0.04 -0.06 0.01 0.16 0.06 7 1 -0.05 0.11 -0.11 0.05 -0.01 -0.04 0.01 0.15 0.06 8 1 0.02 -0.11 -0.13 -0.06 -0.10 -0.03 -0.22 -0.30 0.10 9 1 0.12 0.21 0.21 -0.05 0.05 0.01 0.02 -0.09 -0.23 10 8 -0.10 0.02 0.29 -0.01 0.03 0.05 -0.07 -0.21 0.06 11 8 -0.03 0.01 -0.20 -0.08 0.04 -0.06 -0.02 0.02 -0.05 12 8 -0.05 -0.02 -0.07 0.00 0.01 0.00 0.00 0.05 0.07 13 1 -0.15 0.10 0.07 0.00 -0.02 -0.02 0.02 0.04 0.05 14 8 -0.05 0.03 0.00 0.03 -0.01 0.03 0.03 0.01 0.04 15 1 0.02 0.06 0.08 0.08 -0.01 0.08 0.05 0.08 0.09 16 6 0.07 0.05 -0.07 0.02 0.00 -0.02 -0.04 0.29 -0.14 17 8 0.02 -0.12 -0.09 0.01 -0.03 -0.03 -0.07 0.12 0.18 18 8 0.07 0.02 0.06 0.01 0.01 0.02 0.07 -0.16 -0.05 19 6 -0.02 0.00 0.01 0.00 0.00 0.00 -0.17 -0.03 0.03 20 1 -0.02 0.05 0.05 0.00 0.01 0.01 -0.15 -0.07 -0.01 21 1 -0.16 -0.01 0.07 -0.04 0.00 0.02 0.01 -0.03 -0.01 22 1 0.12 0.10 0.04 0.04 0.03 0.01 -0.27 -0.11 0.01 23 6 -0.01 -0.02 0.04 0.04 0.00 -0.03 -0.02 0.00 0.02 24 6 0.01 0.02 -0.01 -0.02 0.01 0.05 0.00 0.00 0.01 25 6 0.00 0.01 0.00 0.16 0.01 0.04 0.01 0.00 0.01 26 6 -0.02 -0.06 0.04 0.15 0.01 0.03 0.01 -0.01 0.01 27 6 0.02 -0.05 0.02 0.01 0.05 0.02 0.00 0.01 0.01 28 1 0.01 0.01 0.03 0.01 -0.05 -0.01 -0.04 -0.01 0.01 29 1 0.03 0.03 -0.01 0.27 0.00 -0.02 0.02 -0.01 0.01 30 1 0.01 -0.07 0.07 0.20 -0.02 0.01 0.01 -0.02 0.00 31 1 0.04 -0.06 0.03 -0.04 0.04 0.04 -0.01 0.02 0.01 32 1 0.03 0.02 -0.01 -0.05 0.03 0.04 0.00 0.01 0.00 33 8 0.00 0.03 0.00 0.02 -0.02 -0.02 0.01 0.00 0.00 34 8 0.03 -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 0.00 35 8 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.01 0.01 0.00 36 1 0.00 0.01 -0.01 -0.03 -0.13 -0.17 -0.01 -0.01 -0.02 37 8 0.02 -0.02 -0.01 -0.03 0.00 -0.04 0.02 -0.01 -0.01 38 1 -0.07 0.41 -0.37 -0.04 -0.12 -0.12 -0.03 0.14 -0.20 39 6 -0.05 -0.03 0.02 0.05 0.02 -0.02 -0.03 -0.01 0.01 40 8 0.01 0.00 -0.02 -0.02 0.00 0.01 0.01 0.00 -0.01 41 8 0.01 0.02 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 42 6 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 43 1 -0.02 0.03 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 44 1 -0.01 0.00 0.01 -0.01 0.02 -0.02 0.00 -0.01 0.01 45 1 -0.01 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 46 6 -0.01 -0.01 0.00 0.03 0.01 -0.01 0.00 0.00 0.00 47 6 0.00 -0.01 -0.03 0.00 0.05 0.11 0.00 0.00 0.00 48 6 -0.02 -0.02 0.00 0.09 0.09 -0.02 0.00 0.00 0.00 49 6 0.02 -0.01 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 50 6 0.02 0.00 -0.01 -0.09 -0.06 0.07 0.00 0.00 0.00 51 1 -0.06 0.05 0.02 0.22 -0.21 -0.15 0.00 0.00 0.00 52 1 -0.03 -0.02 0.01 0.08 0.08 -0.05 0.00 0.00 0.00 53 1 0.05 -0.02 0.01 -0.24 0.10 -0.01 -0.01 0.00 0.00 54 1 0.02 -0.02 -0.03 -0.09 0.00 0.13 0.00 0.00 0.00 55 1 -0.01 -0.03 -0.04 0.02 0.09 0.15 0.00 0.00 0.00 56 8 0.02 0.01 -0.05 -0.09 -0.04 0.17 0.00 0.00 0.00 57 8 -0.01 0.00 0.02 0.02 -0.01 -0.08 0.00 0.00 0.00 58 1 -0.05 0.09 -0.03 0.16 -0.30 0.08 0.00 0.00 0.00 59 8 -0.02 0.02 0.03 0.09 -0.07 -0.10 0.00 0.00 0.00 60 1 0.01 0.05 0.01 -0.02 -0.18 -0.03 0.00 0.00 0.00 61 8 0.00 0.00 0.01 0.00 -0.01 -0.03 0.00 0.00 0.00 62 1 0.01 0.00 0.02 -0.06 0.02 -0.09 0.00 0.00 0.00 63 6 -0.01 -0.04 0.03 0.05 0.18 -0.12 0.00 0.00 0.00 64 8 0.00 0.01 0.00 -0.01 -0.05 0.01 0.00 0.00 0.00 65 8 0.00 0.01 -0.01 0.01 -0.05 0.06 0.00 0.00 0.00 66 6 0.01 0.00 0.00 -0.04 -0.02 -0.01 0.00 0.00 0.00 67 1 0.01 0.00 0.00 -0.04 -0.02 -0.01 0.00 0.00 0.00 68 1 0.00 0.00 0.00 -0.04 -0.02 -0.01 0.00 0.00 0.00 69 1 0.01 0.00 0.00 -0.02 -0.02 -0.02 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 74 75 A A A Frequencies -- 665.9836 676.5035 691.1433 Red. masses -- 5.4044 6.7717 5.2819 Frc consts -- 1.4123 1.8260 1.4865 IR Inten -- 5.7828 43.9404 25.1328 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.03 0.00 0.00 -0.01 -0.09 -0.02 0.10 2 6 -0.12 0.06 -0.03 0.03 -0.03 0.01 -0.12 0.08 -0.04 3 6 -0.12 0.00 -0.01 0.04 0.00 0.00 -0.14 0.02 0.01 4 6 0.04 -0.05 -0.03 -0.01 0.02 0.01 0.08 -0.11 -0.11 5 6 0.03 -0.08 -0.01 -0.01 0.03 0.01 0.04 -0.15 -0.07 6 1 -0.15 0.01 -0.03 0.04 0.00 0.00 -0.16 0.05 0.03 7 1 0.10 -0.11 -0.01 -0.03 0.04 0.01 0.13 -0.24 -0.15 8 1 -0.05 -0.13 -0.05 0.01 0.05 0.03 -0.18 -0.28 -0.17 9 1 -0.16 0.03 -0.09 0.05 -0.02 0.03 -0.22 0.03 -0.08 10 8 -0.01 0.01 -0.02 0.01 -0.01 0.01 -0.05 0.04 -0.09 11 8 0.01 0.04 0.02 -0.01 -0.01 -0.01 0.07 -0.01 0.04 12 8 0.00 0.04 0.03 0.00 -0.02 -0.01 0.00 0.10 0.08 13 1 0.05 -0.06 -0.05 -0.02 0.02 0.01 0.06 -0.01 -0.02 14 8 0.05 -0.02 0.03 -0.01 0.00 -0.01 0.02 0.00 0.03 15 1 0.09 -0.02 0.07 -0.03 0.01 -0.02 0.13 -0.03 0.12 16 6 0.03 0.02 0.02 -0.02 0.00 -0.01 0.14 0.00 0.15 17 8 -0.01 0.00 0.00 0.01 0.00 0.00 -0.04 0.02 -0.02 18 8 0.05 0.00 -0.01 -0.02 0.00 0.01 0.20 0.03 -0.04 19 6 -0.04 -0.01 0.01 0.02 0.00 0.00 -0.16 -0.03 0.02 20 1 -0.04 0.00 0.01 0.02 0.00 0.00 -0.14 -0.02 0.02 21 1 -0.04 -0.01 0.01 0.02 0.00 0.00 -0.15 -0.03 0.03 22 1 -0.03 0.00 0.01 0.01 0.00 0.00 -0.10 0.01 0.03 23 6 0.22 -0.11 -0.06 -0.06 0.03 0.01 -0.05 0.10 -0.05 24 6 -0.07 0.09 -0.05 0.00 0.00 0.05 -0.01 -0.05 0.01 25 6 -0.04 0.04 -0.07 0.02 -0.03 0.03 -0.01 -0.07 0.06 26 6 -0.04 -0.10 0.10 0.01 0.03 -0.03 0.00 0.03 -0.02 27 6 -0.03 -0.14 0.01 0.01 0.05 -0.01 0.10 0.01 -0.06 28 1 0.37 -0.17 0.13 -0.11 0.04 -0.05 -0.08 0.25 -0.20 29 1 0.10 0.13 -0.10 -0.01 -0.08 0.03 -0.03 -0.11 0.06 30 1 0.01 -0.08 0.24 -0.03 0.03 -0.07 -0.13 0.06 -0.07 31 1 -0.12 -0.15 0.02 0.03 0.05 -0.01 0.14 0.01 -0.05 32 1 -0.04 0.05 -0.04 -0.06 0.01 0.05 -0.03 -0.03 0.00 33 8 -0.06 0.06 0.02 0.02 -0.02 -0.01 -0.01 0.01 -0.01 34 8 0.04 -0.03 0.04 0.00 0.05 0.04 0.00 0.00 0.00 35 8 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 0.03 0.00 36 1 0.02 0.03 0.02 0.00 -0.02 -0.03 0.01 0.00 0.05 37 8 0.00 0.03 0.01 0.00 -0.01 0.00 0.00 0.01 0.03 38 1 0.02 -0.01 0.12 -0.01 0.00 -0.03 0.01 -0.09 0.09 39 6 0.28 0.05 -0.07 -0.08 -0.01 0.02 -0.17 -0.01 0.04 40 8 -0.09 -0.01 0.00 0.02 0.00 0.00 0.05 0.02 0.02 41 8 -0.08 0.03 0.08 0.02 -0.01 -0.02 0.06 -0.04 -0.05 42 6 -0.06 0.08 -0.05 0.02 -0.02 0.01 0.04 -0.05 0.03 43 1 -0.01 0.09 -0.02 0.01 -0.03 0.01 0.02 -0.07 0.02 44 1 -0.09 0.18 -0.08 0.03 -0.05 0.02 0.06 -0.12 0.04 45 1 0.02 0.06 0.00 -0.01 -0.01 -0.01 -0.03 -0.02 -0.03 46 6 -0.02 -0.04 -0.03 -0.07 -0.13 -0.06 0.01 0.01 0.00 47 6 -0.02 0.02 0.02 0.01 0.02 0.19 0.00 0.00 0.00 48 6 -0.01 0.03 0.01 0.09 0.07 0.07 0.00 0.00 0.01 49 6 0.09 0.02 -0.05 0.05 0.07 -0.08 0.02 0.00 -0.02 50 6 0.07 -0.06 -0.06 -0.07 0.00 -0.14 0.02 0.02 -0.02 51 1 -0.07 0.01 0.00 -0.23 0.02 -0.01 0.00 0.03 0.03 52 1 -0.06 0.05 0.01 0.04 0.07 0.00 -0.01 0.00 0.01 53 1 0.09 0.02 -0.06 0.00 0.07 -0.14 0.05 -0.01 -0.03 54 1 0.08 -0.10 -0.12 -0.07 0.00 -0.14 0.02 0.01 -0.03 55 1 -0.04 0.01 0.03 -0.05 0.10 0.33 0.00 0.00 0.01 56 8 -0.02 0.02 -0.02 -0.03 0.11 0.02 0.00 0.00 -0.01 57 8 -0.01 -0.01 0.00 -0.06 -0.05 -0.03 0.00 0.00 0.00 58 1 -0.04 -0.04 -0.02 -0.09 -0.22 0.00 -0.01 0.00 0.00 59 8 -0.04 0.02 0.01 0.03 -0.02 -0.07 -0.01 0.01 0.00 60 1 -0.07 0.02 0.02 -0.17 -0.08 0.02 -0.02 0.00 0.01 61 8 -0.02 0.01 0.01 -0.05 0.01 -0.02 -0.01 0.00 0.00 62 1 -0.01 0.05 0.12 0.00 0.02 0.10 0.03 -0.01 0.03 63 6 0.04 -0.08 0.04 0.18 -0.30 0.11 -0.01 -0.02 0.01 64 8 -0.01 0.03 0.01 -0.04 0.06 -0.04 0.00 0.00 0.00 65 8 0.06 0.02 0.01 0.27 0.10 0.08 0.00 0.01 0.00 66 6 -0.04 0.00 -0.01 -0.23 -0.03 -0.08 0.00 0.00 0.00 67 1 -0.03 -0.01 -0.02 -0.19 -0.03 -0.09 0.00 0.00 0.00 68 1 -0.06 -0.02 -0.03 -0.24 -0.05 -0.09 0.00 0.00 0.00 69 1 0.01 -0.01 -0.02 -0.09 -0.04 -0.09 0.00 0.00 0.00 70 19 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 76 77 78 A A A Frequencies -- 711.9006 731.3337 733.4381 Red. masses -- 4.9581 5.1948 6.2974 Frc consts -- 1.4805 1.6370 1.9959 IR Inten -- 18.8231 7.1542 16.8135 Atom AN X Y Z X Y Z X Y Z 1 6 0.04 0.01 -0.01 -0.03 0.00 -0.03 -0.01 0.00 -0.02 2 6 -0.07 0.02 -0.01 0.13 -0.11 0.05 0.06 -0.05 0.02 3 6 -0.10 -0.01 -0.03 0.17 -0.01 0.06 0.08 -0.01 0.03 4 6 -0.02 0.02 0.06 0.02 0.02 -0.08 0.01 0.01 -0.04 5 6 0.01 0.02 0.04 -0.05 0.04 -0.05 -0.02 0.02 -0.02 6 1 -0.14 -0.03 -0.11 0.17 0.04 0.11 0.08 0.02 0.05 7 1 0.02 0.04 0.11 -0.06 0.01 -0.16 -0.03 0.01 -0.07 8 1 0.13 0.09 0.05 -0.28 -0.10 0.04 -0.13 -0.04 0.02 9 1 -0.07 0.02 -0.04 0.21 -0.07 0.12 0.10 -0.03 0.05 10 8 0.02 0.01 0.07 -0.01 -0.02 -0.07 0.00 -0.01 -0.03 11 8 -0.04 0.04 -0.02 -0.07 -0.03 -0.02 -0.04 -0.01 -0.01 12 8 0.01 -0.03 -0.03 -0.01 0.02 0.02 0.00 0.01 0.01 13 1 0.06 -0.10 -0.10 -0.10 0.16 0.15 -0.05 0.07 0.07 14 8 0.05 -0.03 0.02 -0.09 0.04 -0.04 -0.04 0.02 -0.02 15 1 0.02 -0.01 0.00 -0.03 0.01 0.01 -0.01 0.00 0.00 16 6 -0.07 0.03 -0.11 0.08 -0.08 0.16 0.03 -0.04 0.07 17 8 0.02 -0.04 0.00 -0.02 0.06 0.00 -0.01 0.03 0.00 18 8 -0.10 -0.03 0.02 0.10 0.04 -0.03 0.04 0.02 -0.02 19 6 0.09 0.02 -0.01 -0.09 -0.02 0.01 -0.04 -0.01 0.00 20 1 0.07 0.02 0.00 -0.07 -0.03 -0.01 -0.03 -0.01 -0.01 21 1 0.05 0.02 0.00 -0.03 -0.01 -0.01 -0.01 -0.01 0.00 22 1 0.08 0.02 -0.01 -0.11 -0.03 0.00 -0.05 -0.01 0.00 23 6 -0.02 0.12 -0.11 -0.06 0.00 0.03 -0.03 0.01 0.01 24 6 -0.11 -0.03 0.03 -0.06 0.02 0.05 -0.05 0.01 0.02 25 6 0.08 -0.15 0.16 0.06 -0.03 0.04 0.03 -0.02 0.02 26 6 0.05 -0.08 0.10 0.05 -0.01 0.01 0.03 -0.02 0.02 27 6 0.08 0.07 -0.02 -0.07 0.12 0.08 -0.03 0.06 0.04 28 1 -0.04 0.20 -0.19 -0.12 -0.18 0.11 -0.05 -0.08 0.06 29 1 0.25 -0.17 0.08 0.10 -0.05 0.02 0.08 -0.01 0.01 30 1 -0.13 -0.04 0.06 0.04 -0.03 -0.03 0.02 -0.03 0.01 31 1 0.06 0.10 -0.05 -0.04 0.13 0.06 -0.02 0.07 0.02 32 1 -0.15 0.04 -0.01 -0.09 0.04 0.04 -0.08 0.02 0.01 33 8 -0.06 0.02 -0.05 0.00 -0.05 -0.03 -0.02 -0.01 -0.02 34 8 -0.05 -0.04 0.02 -0.08 0.00 0.01 0.00 -0.01 0.05 35 8 0.00 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 36 1 -0.01 -0.09 -0.02 -0.01 -0.07 -0.05 -0.01 -0.04 -0.02 37 8 -0.01 0.02 -0.03 0.00 -0.01 -0.05 0.00 0.00 -0.03 38 1 0.00 -0.07 0.00 0.00 -0.05 -0.06 0.00 -0.02 -0.03 39 6 -0.05 0.05 -0.03 0.11 0.05 -0.06 0.07 0.04 -0.04 40 8 0.02 0.04 0.06 -0.03 -0.01 0.02 -0.02 0.00 0.02 41 8 0.03 -0.07 -0.03 -0.03 -0.02 0.01 -0.02 -0.02 0.01 42 6 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.06 -0.12 0.03 0.02 -0.02 0.01 0.02 -0.03 0.01 44 1 0.07 -0.12 0.02 0.00 0.01 -0.02 0.00 0.00 -0.01 45 1 -0.04 0.01 -0.07 0.01 0.01 -0.01 0.00 0.01 -0.02 46 6 0.01 -0.01 -0.02 -0.01 -0.02 0.02 -0.01 -0.05 -0.14 47 6 -0.04 0.02 -0.04 -0.13 0.07 -0.09 0.24 -0.15 0.16 48 6 -0.04 0.03 -0.02 -0.07 0.01 -0.07 0.10 0.06 0.13 49 6 0.17 0.00 -0.07 0.13 -0.05 -0.01 0.02 0.12 -0.10 50 6 0.15 -0.07 -0.08 0.14 -0.09 0.00 -0.10 -0.01 -0.20 51 1 0.04 0.00 0.03 0.02 -0.04 0.01 -0.02 -0.07 -0.15 52 1 -0.12 0.06 0.01 -0.09 0.03 -0.02 -0.05 0.09 0.03 53 1 0.20 -0.01 -0.07 0.14 -0.03 0.03 -0.03 0.11 -0.19 54 1 0.23 -0.10 -0.22 0.27 -0.06 -0.15 -0.19 -0.10 -0.19 55 1 -0.03 -0.04 -0.11 -0.14 -0.02 -0.19 0.31 -0.06 0.22 56 8 0.00 -0.01 0.00 -0.05 0.00 0.03 0.17 -0.02 -0.03 57 8 0.02 0.01 0.00 0.06 0.03 0.00 -0.14 -0.06 0.00 58 1 -0.03 0.03 -0.03 0.00 0.00 -0.03 -0.08 0.05 0.01 59 8 -0.08 0.04 0.04 -0.05 0.02 0.02 -0.03 0.01 0.02 60 1 -0.04 0.04 0.03 0.05 0.01 -0.01 -0.20 0.04 0.07 61 8 -0.02 0.02 0.03 0.01 0.02 0.05 -0.06 0.00 -0.03 62 1 0.09 0.02 0.21 0.07 0.01 0.12 0.00 0.04 0.15 63 6 -0.02 0.01 0.01 0.03 0.01 -0.01 -0.11 0.07 0.00 64 8 -0.01 0.02 0.04 0.00 0.00 0.00 -0.03 0.04 0.10 65 8 -0.03 0.00 -0.01 0.04 0.00 0.01 -0.15 -0.03 -0.05 66 6 0.04 0.01 0.01 -0.03 -0.01 -0.01 0.16 0.02 0.06 67 1 0.03 0.00 0.00 -0.02 0.00 -0.01 0.13 -0.01 0.02 68 1 0.01 0.00 -0.01 -0.03 -0.01 -0.01 0.07 -0.01 0.00 69 1 0.07 0.01 0.01 0.00 0.00 -0.01 0.20 0.02 0.05 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 80 81 A A A Frequencies -- 751.3720 768.5557 794.7407 Red. masses -- 5.5498 5.7598 5.0472 Frc consts -- 1.8460 2.0045 1.8782 IR Inten -- 9.2698 23.0997 28.1388 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.01 -0.27 -0.17 0.13 0.05 0.04 0.00 2 6 -0.03 0.02 0.00 0.04 -0.07 -0.11 -0.04 0.04 -0.02 3 6 -0.05 0.00 -0.01 0.02 0.02 0.00 -0.07 0.01 -0.02 4 6 0.00 -0.01 0.02 -0.01 0.00 0.04 0.00 -0.02 0.01 5 6 0.01 -0.01 0.01 0.01 0.00 -0.03 0.02 -0.02 0.01 6 1 -0.05 0.00 -0.03 0.07 0.01 0.06 -0.06 0.00 -0.02 7 1 0.02 -0.01 0.03 -0.01 0.04 0.07 0.03 -0.04 0.02 8 1 0.07 0.02 -0.02 0.52 0.32 -0.26 -0.03 -0.05 0.00 9 1 -0.06 0.00 -0.02 -0.01 -0.10 -0.15 -0.10 0.02 0.00 10 8 0.00 0.01 0.01 0.09 0.01 -0.07 -0.03 0.02 0.03 11 8 0.04 0.00 0.01 0.01 -0.05 0.04 0.03 -0.03 -0.03 12 8 0.00 0.00 0.00 0.01 0.01 0.03 0.00 0.01 0.00 13 1 0.03 -0.04 -0.04 0.03 0.00 0.00 0.04 -0.05 -0.05 14 8 0.02 -0.01 0.01 0.01 0.01 0.01 0.02 -0.01 0.01 15 1 0.01 0.00 0.00 -0.01 -0.03 -0.03 0.01 0.00 0.00 16 6 -0.01 0.02 -0.03 0.04 0.32 -0.28 -0.02 -0.05 0.03 17 8 0.00 -0.01 0.00 0.01 -0.04 0.05 0.00 -0.01 -0.02 18 8 -0.01 -0.01 0.01 0.10 -0.04 0.10 -0.03 0.00 -0.02 19 6 0.01 0.00 0.00 -0.09 -0.03 0.01 0.03 0.01 0.00 20 1 0.01 0.01 0.00 -0.09 0.00 0.03 0.03 0.01 0.00 21 1 0.00 0.00 0.00 -0.13 -0.03 0.02 0.02 0.01 0.00 22 1 0.02 0.01 0.00 -0.01 0.00 0.03 0.03 0.01 0.00 23 6 0.05 -0.13 0.05 -0.06 0.01 0.05 0.04 -0.03 0.07 24 6 0.01 0.10 0.17 -0.02 -0.02 -0.01 -0.12 -0.08 -0.09 25 6 -0.02 0.07 -0.10 -0.01 0.01 -0.01 -0.07 0.01 -0.04 26 6 0.02 0.17 -0.16 0.01 0.02 -0.02 0.05 0.08 -0.06 27 6 0.03 -0.02 -0.03 -0.02 0.08 0.08 0.17 0.22 0.23 28 1 0.03 -0.08 0.00 -0.11 -0.12 0.10 -0.02 -0.16 0.11 29 1 -0.21 -0.03 -0.05 -0.04 0.01 0.01 -0.13 0.08 0.02 30 1 0.08 0.14 -0.21 0.02 0.00 -0.07 0.00 0.03 -0.26 31 1 0.03 -0.09 0.06 0.05 0.07 0.07 0.35 0.16 0.32 32 1 -0.03 0.03 0.22 -0.04 -0.02 -0.01 -0.16 -0.10 -0.08 33 8 0.10 -0.03 0.02 -0.01 -0.04 -0.01 -0.06 -0.11 -0.01 34 8 -0.12 0.05 0.03 -0.01 0.00 0.01 -0.04 -0.06 0.01 35 8 0.01 -0.08 -0.02 -0.01 0.01 0.01 -0.02 0.05 0.03 36 1 0.01 -0.02 -0.05 -0.01 0.01 0.02 -0.01 0.07 0.13 37 8 -0.01 -0.01 0.05 0.00 -0.02 -0.04 0.02 -0.07 -0.11 38 1 -0.03 -0.04 -0.03 0.01 -0.05 0.00 0.03 -0.16 -0.11 39 6 -0.13 -0.14 0.13 0.09 0.04 -0.05 0.04 -0.06 0.06 40 8 0.02 -0.03 -0.10 -0.02 -0.01 0.01 -0.01 -0.06 -0.08 41 8 0.03 0.09 0.02 -0.02 -0.01 0.01 0.00 0.07 0.06 42 6 -0.03 0.04 -0.03 0.00 -0.01 0.00 -0.02 0.02 -0.03 43 1 -0.10 0.16 -0.04 0.02 -0.02 0.01 -0.06 0.13 -0.02 44 1 -0.06 0.10 0.01 0.00 0.01 -0.01 -0.06 0.12 -0.01 45 1 0.04 -0.05 0.11 0.01 0.00 -0.01 0.08 -0.06 0.12 46 6 -0.06 -0.11 -0.07 0.00 0.00 0.00 0.08 0.10 0.02 47 6 -0.04 0.01 -0.04 0.00 0.00 0.00 0.02 0.00 0.03 48 6 -0.04 0.05 -0.04 0.00 0.00 0.00 0.03 0.04 0.03 49 6 0.14 0.00 -0.04 0.01 0.00 -0.01 0.02 0.01 -0.02 50 6 0.06 -0.14 -0.12 0.01 0.00 -0.01 0.07 0.02 0.06 51 1 -0.02 -0.19 -0.15 0.00 0.00 0.00 0.06 0.16 0.10 52 1 -0.12 0.08 -0.03 -0.01 0.01 0.00 0.00 0.05 0.05 53 1 0.08 0.04 0.00 0.01 0.00 -0.01 0.00 0.00 -0.07 54 1 0.22 -0.12 -0.32 0.02 0.00 -0.02 0.04 0.01 0.11 55 1 -0.01 -0.07 -0.15 0.00 0.00 -0.01 -0.01 0.02 0.09 56 8 0.03 0.00 0.06 0.00 0.00 0.00 -0.02 -0.01 -0.07 57 8 0.01 0.00 0.00 0.00 0.00 0.00 -0.03 -0.02 0.00 58 1 -0.03 0.03 -0.03 0.00 0.00 0.00 -0.02 -0.05 0.01 59 8 -0.05 0.02 0.03 0.00 0.00 0.00 -0.02 0.00 0.01 60 1 -0.01 0.03 0.01 0.00 0.00 0.00 -0.08 0.00 0.03 61 8 -0.01 0.04 0.06 0.00 0.00 0.00 -0.02 -0.02 -0.04 62 1 0.04 0.06 0.18 0.01 0.00 0.02 0.00 -0.01 -0.01 63 6 0.00 0.08 -0.04 0.00 0.00 0.00 -0.02 -0.07 0.04 64 8 -0.03 0.02 0.07 0.00 0.00 0.00 0.01 0.00 -0.03 65 8 -0.02 -0.03 0.00 0.00 0.00 0.00 -0.01 0.03 -0.01 66 6 0.04 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 68 1 -0.03 -0.02 -0.03 0.00 0.00 0.00 0.03 0.02 0.02 69 1 0.12 0.00 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 83 84 A A A Frequencies -- 808.4058 819.4744 844.9707 Red. masses -- 5.3385 4.9012 3.1879 Frc consts -- 2.0556 1.9392 1.3410 IR Inten -- 26.9122 29.0279 28.0880 Atom AN X Y Z X Y Z X Y Z 1 6 0.09 0.05 0.02 0.06 0.02 0.01 -0.03 0.00 0.01 2 6 -0.04 0.15 -0.06 -0.02 0.11 -0.03 0.01 -0.02 -0.01 3 6 0.01 0.07 -0.04 0.07 0.07 -0.03 -0.06 -0.05 0.02 4 6 -0.02 -0.08 0.05 -0.02 -0.07 0.05 0.01 0.03 -0.03 5 6 0.06 -0.12 0.03 0.04 -0.12 0.03 0.02 0.11 -0.02 6 1 0.13 0.04 0.07 0.18 0.05 0.08 -0.08 -0.07 -0.02 7 1 -0.03 0.00 0.10 -0.05 0.05 0.09 0.05 -0.12 -0.08 8 1 0.29 0.01 -0.16 0.38 0.09 -0.19 -0.57 -0.24 0.29 9 1 -0.20 0.10 -0.02 -0.14 0.08 0.00 0.07 -0.01 -0.05 10 8 -0.07 0.05 -0.01 -0.05 0.04 -0.04 0.02 -0.04 0.05 11 8 0.08 -0.09 0.00 0.04 -0.07 0.02 0.02 0.03 -0.02 12 8 -0.01 0.00 0.02 -0.01 0.00 0.02 0.01 0.00 -0.02 13 1 0.01 -0.01 0.00 -0.03 0.03 0.05 0.04 -0.03 -0.06 14 8 0.03 0.00 0.01 0.01 0.01 0.00 0.00 -0.01 0.00 15 1 -0.06 0.02 -0.07 -0.08 0.02 -0.07 0.03 0.00 0.03 16 6 -0.04 -0.06 0.04 -0.02 -0.03 0.02 0.01 0.03 -0.03 17 8 0.00 -0.02 -0.02 0.00 -0.01 -0.01 0.00 -0.01 0.00 18 8 -0.06 -0.01 -0.02 -0.04 -0.01 -0.01 0.01 0.00 0.01 19 6 0.05 0.01 0.00 0.03 0.01 0.00 0.00 0.00 0.00 20 1 0.05 0.01 0.00 0.03 0.01 0.00 -0.01 0.01 0.01 21 1 0.03 0.01 0.00 0.02 0.01 -0.01 -0.02 0.00 0.01 22 1 0.05 0.01 0.00 0.03 0.00 0.00 0.00 0.01 0.00 23 6 -0.11 0.06 0.06 -0.12 0.00 0.04 0.05 -0.05 -0.02 24 6 0.01 -0.04 -0.05 0.03 0.04 0.13 0.01 0.02 0.03 25 6 -0.06 0.03 -0.05 0.02 0.04 -0.03 -0.07 0.08 -0.10 26 6 -0.02 0.02 -0.03 0.03 0.07 -0.06 -0.01 0.00 0.01 27 6 0.01 0.03 0.13 -0.10 -0.10 -0.04 0.04 -0.01 0.11 28 1 -0.18 -0.08 0.11 -0.15 -0.08 0.07 0.07 -0.06 0.01 29 1 -0.16 0.06 0.00 -0.08 -0.05 -0.01 -0.14 0.09 -0.07 30 1 0.01 -0.01 -0.07 0.12 0.05 -0.02 0.11 -0.03 0.02 31 1 0.17 0.00 0.17 -0.08 -0.12 -0.01 0.05 -0.07 0.21 32 1 -0.02 -0.08 -0.02 0.04 0.01 0.14 0.03 -0.05 0.08 33 8 0.01 -0.07 0.02 0.08 0.01 -0.01 0.05 -0.05 0.06 34 8 0.06 0.08 0.03 -0.12 -0.03 -0.04 -0.02 0.02 -0.01 35 8 -0.01 0.02 0.02 0.01 -0.04 -0.01 0.00 -0.02 0.01 36 1 0.00 0.08 0.08 0.00 -0.04 -0.04 0.01 0.07 0.08 37 8 0.02 -0.03 -0.05 -0.01 0.01 0.04 0.01 -0.03 -0.04 38 1 0.01 0.01 -0.05 -0.03 0.01 -0.05 0.02 -0.03 -0.01 39 6 0.10 0.11 -0.13 0.06 0.08 -0.10 -0.07 0.01 -0.09 40 8 -0.02 0.03 0.07 -0.01 0.04 0.07 0.03 0.11 0.16 41 8 -0.04 -0.07 -0.05 -0.03 -0.06 -0.05 -0.02 -0.09 -0.13 42 6 0.02 -0.03 0.03 0.01 -0.02 0.02 -0.01 0.04 0.00 43 1 0.07 -0.13 0.03 0.05 -0.11 0.02 0.06 -0.16 0.00 44 1 0.05 -0.08 -0.01 0.04 -0.08 -0.01 0.06 -0.14 -0.02 45 1 -0.04 0.05 -0.10 -0.06 0.06 -0.10 -0.19 0.18 -0.24 46 6 -0.11 -0.12 -0.02 0.10 0.08 0.01 0.01 -0.01 0.00 47 6 -0.02 0.00 -0.05 0.01 0.01 0.04 0.00 0.00 0.00 48 6 -0.06 -0.09 -0.05 0.07 0.14 0.04 0.01 0.03 0.01 49 6 0.01 -0.01 0.00 0.02 -0.01 0.00 0.00 -0.01 0.01 50 6 -0.12 0.02 -0.14 0.14 -0.07 0.13 0.02 -0.02 0.02 51 1 -0.03 -0.21 -0.08 0.02 0.16 0.03 -0.01 0.00 -0.02 52 1 -0.02 -0.12 -0.10 0.00 0.18 0.12 0.00 0.04 0.03 53 1 0.12 -0.04 0.07 -0.15 0.05 -0.06 -0.04 0.01 0.00 54 1 -0.09 0.00 -0.22 0.19 -0.01 0.14 0.06 0.01 0.01 55 1 0.04 -0.02 -0.14 -0.07 -0.01 0.10 -0.02 -0.01 0.00 56 8 0.03 0.01 0.13 -0.03 0.00 -0.13 0.00 0.00 -0.02 57 8 0.05 0.05 0.00 -0.06 -0.06 0.00 -0.01 -0.01 0.00 58 1 0.04 0.09 -0.01 -0.06 -0.10 0.01 -0.01 -0.02 0.00 59 8 0.02 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 0.00 60 1 0.15 0.02 -0.06 -0.17 -0.01 0.07 -0.03 0.00 0.01 61 8 0.02 0.02 0.06 -0.03 -0.02 -0.05 0.00 0.00 -0.01 62 1 0.02 0.04 0.09 -0.01 -0.05 -0.09 -0.01 0.00 -0.02 63 6 0.04 0.08 -0.05 -0.04 -0.06 0.04 0.00 0.00 0.00 64 8 -0.01 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 0.00 65 8 0.03 -0.03 0.01 -0.03 0.02 -0.01 0.00 0.00 0.00 66 6 -0.01 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 67 1 0.00 -0.01 -0.02 0.01 0.01 0.02 0.00 0.00 0.00 68 1 -0.05 -0.02 -0.02 0.04 0.02 0.02 0.00 0.00 0.00 69 1 0.05 -0.01 0.00 -0.02 0.01 0.00 0.01 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 86 87 A A A Frequencies -- 858.1392 870.0771 875.3591 Red. masses -- 2.0750 3.6986 4.0954 Frc consts -- 0.9003 1.6497 1.8489 IR Inten -- 13.0027 20.1127 3.6497 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.01 -0.06 0.01 0.00 0.05 0.01 0.00 0.02 2 6 -0.01 -0.05 0.03 -0.01 0.03 0.00 0.00 0.00 -0.01 3 6 0.01 0.01 -0.01 0.04 0.01 0.00 0.00 0.01 -0.01 4 6 0.00 0.01 0.00 0.00 -0.02 0.02 0.00 -0.01 0.01 5 6 -0.12 -0.08 -0.01 0.10 0.00 0.02 0.03 0.00 0.01 6 1 -0.05 0.05 -0.04 0.08 0.00 0.04 0.02 0.00 0.01 7 1 -0.01 0.13 0.07 -0.03 -0.02 -0.01 -0.01 -0.02 0.00 8 1 0.68 0.41 -0.40 -0.24 -0.21 0.19 -0.08 -0.07 0.05 9 1 0.01 -0.04 0.03 -0.06 0.02 0.05 -0.05 -0.01 0.01 10 8 0.03 0.01 -0.01 -0.04 0.01 -0.05 -0.02 0.01 -0.01 11 8 -0.04 0.02 0.00 0.00 -0.03 0.01 0.01 -0.02 0.01 12 8 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 13 1 -0.01 0.01 0.02 -0.02 0.03 0.04 0.00 0.00 0.00 14 8 0.01 0.01 0.01 -0.02 0.00 -0.02 0.00 0.00 0.00 15 1 0.05 -0.03 0.04 -0.07 0.02 -0.05 -0.02 0.01 -0.02 16 6 0.01 -0.06 0.05 -0.01 0.04 -0.03 -0.01 0.01 -0.01 17 8 0.01 0.04 0.01 -0.01 -0.02 -0.01 0.00 -0.01 0.00 18 8 0.01 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 19 6 -0.03 0.00 0.00 0.02 0.00 0.00 0.01 0.00 0.00 20 1 -0.01 -0.02 -0.01 0.01 0.01 0.01 0.01 0.00 0.00 21 1 0.02 0.00 -0.02 -0.01 0.00 0.01 0.00 0.00 0.00 22 1 -0.05 -0.04 0.00 0.03 0.02 0.00 0.01 0.01 0.00 23 6 0.10 -0.06 -0.05 -0.01 -0.14 -0.04 0.01 -0.02 -0.02 24 6 0.01 0.03 0.02 0.07 0.10 0.12 0.11 0.09 -0.04 25 6 -0.01 0.00 0.00 0.03 -0.10 0.13 0.01 -0.08 0.09 26 6 -0.02 -0.01 0.01 0.00 0.09 -0.08 -0.10 -0.03 0.00 27 6 0.03 0.04 0.06 0.00 0.04 0.05 0.04 0.08 0.04 28 1 0.14 -0.06 -0.02 0.05 -0.26 0.12 -0.01 -0.06 -0.01 29 1 -0.02 -0.01 0.00 -0.13 -0.31 0.13 -0.05 -0.17 0.09 30 1 -0.03 -0.01 -0.01 -0.19 0.11 -0.20 -0.32 0.01 -0.08 31 1 -0.01 0.01 0.11 0.00 -0.06 0.20 0.09 0.07 0.06 32 1 0.04 0.05 0.00 0.14 0.30 -0.02 0.13 0.25 -0.15 33 8 -0.02 0.01 0.01 -0.10 0.14 -0.08 -0.08 0.00 -0.03 34 8 0.01 -0.01 -0.01 0.02 -0.09 -0.01 0.11 0.15 -0.03 35 8 0.00 -0.01 -0.01 0.01 -0.05 -0.06 0.00 -0.01 -0.03 36 1 0.00 0.01 0.00 0.01 -0.07 -0.11 0.00 -0.02 -0.07 37 8 0.00 -0.01 -0.03 0.00 -0.03 -0.02 0.01 -0.02 -0.03 38 1 0.01 -0.01 0.01 0.00 -0.05 -0.04 0.03 0.07 0.08 39 6 -0.07 -0.05 0.00 0.03 -0.06 0.00 0.01 -0.01 0.01 40 8 0.03 0.05 0.07 0.02 0.03 0.07 0.00 -0.01 -0.01 41 8 0.01 -0.02 -0.05 0.00 -0.01 0.00 0.01 0.01 0.02 42 6 -0.03 0.04 -0.02 -0.04 0.06 -0.03 -0.01 0.01 -0.01 43 1 0.00 -0.03 -0.02 -0.02 0.01 -0.03 -0.01 0.02 -0.01 44 1 0.01 -0.04 -0.02 -0.02 0.02 -0.03 -0.01 0.02 0.00 45 1 -0.10 0.10 -0.11 -0.08 0.09 -0.09 0.01 -0.01 0.02 46 6 0.00 0.00 0.00 0.02 0.06 0.02 -0.10 -0.18 0.01 47 6 0.00 0.00 0.00 0.02 -0.02 0.01 -0.02 0.04 -0.04 48 6 0.00 -0.01 0.00 -0.03 -0.09 -0.01 0.07 0.15 0.04 49 6 -0.01 0.00 0.00 -0.02 0.04 -0.02 -0.03 -0.07 0.06 50 6 -0.01 0.00 0.00 -0.04 0.05 -0.04 0.06 -0.07 0.11 51 1 -0.01 0.00 0.00 0.05 0.08 0.09 -0.24 -0.20 -0.21 52 1 0.00 -0.01 -0.01 -0.03 -0.12 -0.10 0.11 0.18 0.20 53 1 0.00 0.00 0.00 0.08 -0.01 -0.01 -0.20 0.00 0.03 54 1 -0.02 0.00 0.02 -0.18 -0.05 0.04 0.20 0.09 0.11 55 1 0.00 0.01 0.01 0.06 0.05 0.05 -0.11 -0.05 -0.04 56 8 0.00 0.00 0.00 -0.01 -0.01 0.03 0.02 0.03 -0.09 57 8 0.00 0.00 0.00 0.03 0.04 0.00 -0.06 -0.09 0.01 58 1 0.00 0.00 0.00 0.03 0.04 0.00 -0.04 -0.05 0.02 59 8 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 60 1 0.01 0.00 0.00 0.09 0.00 -0.03 -0.16 -0.01 0.06 61 8 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.03 62 1 -0.01 0.00 0.00 0.04 0.00 0.06 -0.08 -0.04 -0.22 63 6 0.00 0.00 0.00 0.00 -0.02 0.02 0.03 0.11 -0.07 64 8 0.00 0.00 0.00 0.01 -0.01 -0.02 -0.01 -0.01 0.03 65 8 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.03 0.01 66 6 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 67 1 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 68 1 0.00 0.00 0.00 0.01 0.01 0.01 -0.04 -0.01 -0.02 69 1 0.00 0.00 0.00 -0.04 0.00 0.00 0.04 0.00 0.01 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 89 90 A A A Frequencies -- 884.8064 891.5270 922.0961 Red. masses -- 5.0922 3.6050 3.7932 Frc consts -- 2.3488 1.6882 1.9003 IR Inten -- 16.9793 13.3536 2.6373 Atom AN X Y Z X Y Z X Y Z 1 6 -0.06 0.05 -0.10 0.00 0.00 0.00 0.00 0.01 0.00 2 6 0.06 0.01 -0.14 0.00 0.00 0.01 0.01 -0.01 -0.03 3 6 -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 4 6 -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.01 0.01 5 6 -0.20 0.11 -0.09 0.01 -0.01 0.00 0.01 0.00 0.00 6 1 -0.09 -0.08 0.00 0.00 0.00 0.00 0.01 0.01 0.01 7 1 0.13 -0.16 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 8 1 -0.04 0.23 -0.31 0.00 -0.01 0.01 -0.02 -0.02 -0.01 9 1 0.04 -0.06 -0.39 -0.01 0.00 0.02 -0.03 -0.02 -0.02 10 8 0.11 -0.07 0.24 0.00 0.00 -0.01 -0.01 0.01 0.01 11 8 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 0.01 12 8 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.13 -0.15 -0.19 0.00 0.00 0.00 0.01 -0.01 -0.01 14 8 0.08 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.15 -0.02 0.10 0.00 0.00 0.00 -0.01 0.00 -0.01 16 6 0.03 -0.08 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17 8 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 18 8 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 19 6 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 21 1 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 22 1 -0.04 -0.02 0.00 0.00 0.00 0.00 0.01 0.00 0.00 23 6 -0.16 -0.03 0.07 0.01 0.00 -0.01 0.00 0.05 -0.03 24 6 0.06 0.04 0.06 0.04 0.02 -0.03 0.03 0.16 0.05 25 6 0.00 -0.05 0.06 0.00 -0.01 0.02 -0.01 0.06 -0.01 26 6 0.00 0.07 -0.06 -0.03 -0.02 0.01 -0.09 -0.08 0.04 27 6 0.01 -0.05 -0.01 0.01 0.02 0.01 0.03 0.06 0.03 28 1 -0.19 -0.11 0.12 0.01 0.00 -0.01 -0.09 0.09 -0.15 29 1 -0.14 -0.18 0.08 0.00 -0.02 0.02 0.03 0.03 -0.04 30 1 -0.09 0.09 -0.11 -0.08 -0.01 -0.01 -0.14 -0.07 0.03 31 1 0.06 -0.10 0.05 0.02 0.02 0.00 0.07 0.09 -0.03 32 1 0.08 0.15 -0.01 0.05 0.06 -0.06 0.12 0.32 -0.06 33 8 -0.03 0.05 -0.06 -0.02 -0.01 0.00 0.01 -0.11 0.02 34 8 0.01 -0.01 -0.01 0.03 0.02 -0.01 0.01 0.03 -0.03 35 8 0.01 -0.02 -0.03 0.00 0.00 -0.01 0.02 -0.07 -0.04 36 1 0.01 -0.02 -0.04 0.00 0.00 -0.01 0.02 -0.03 -0.07 37 8 0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 0.00 -0.02 38 1 -0.01 -0.04 0.00 0.01 0.03 0.03 0.02 0.10 0.10 39 6 0.12 0.06 -0.04 0.00 0.00 0.00 -0.02 0.05 0.01 40 8 -0.03 -0.01 -0.01 0.00 0.00 0.00 -0.02 -0.01 -0.05 41 8 -0.02 -0.01 0.03 0.00 0.00 0.00 0.01 0.00 0.01 42 6 0.01 -0.02 0.01 0.00 0.00 0.00 0.03 -0.05 0.03 43 1 0.01 -0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.02 44 1 0.00 0.01 0.00 0.00 0.00 0.00 0.02 -0.02 0.03 45 1 0.03 -0.03 0.02 0.00 0.00 0.00 0.05 -0.07 0.06 46 6 0.00 0.01 0.00 0.12 0.12 -0.10 0.11 -0.05 -0.12 47 6 0.00 0.00 0.00 -0.04 0.02 -0.04 0.01 -0.02 0.13 48 6 0.00 0.00 0.00 -0.01 0.16 -0.02 -0.07 -0.12 -0.07 49 6 -0.01 0.00 0.01 -0.14 -0.13 0.13 -0.08 0.06 -0.03 50 6 0.00 0.00 -0.01 -0.01 -0.07 -0.17 0.05 -0.08 0.08 51 1 0.01 0.02 0.02 0.28 0.11 0.11 0.08 -0.08 -0.19 52 1 0.00 0.00 -0.01 0.08 0.16 0.09 -0.17 -0.17 -0.34 53 1 -0.02 0.00 0.01 -0.35 0.01 0.20 -0.13 0.12 0.03 54 1 -0.02 -0.02 -0.01 0.08 -0.19 -0.47 0.03 0.06 0.29 55 1 0.01 0.00 0.00 -0.01 -0.15 -0.25 0.03 0.15 0.28 56 8 0.00 0.00 0.01 0.02 -0.04 0.11 -0.06 0.02 -0.03 57 8 0.00 0.00 0.00 -0.01 -0.03 -0.01 0.05 0.10 -0.02 58 1 0.00 0.00 0.00 -0.02 -0.06 0.00 -0.01 -0.07 -0.02 59 8 0.00 0.00 0.00 0.05 -0.04 -0.02 -0.01 0.00 0.00 60 1 0.01 0.00 0.00 0.00 -0.03 -0.01 0.21 -0.04 -0.07 61 8 0.00 0.00 0.01 0.02 0.05 0.08 0.03 0.00 0.03 62 1 0.01 -0.01 -0.02 -0.09 -0.03 -0.29 0.04 0.00 0.05 63 6 0.00 -0.01 0.01 -0.04 -0.15 0.06 -0.03 -0.10 0.00 64 8 0.00 0.00 0.00 -0.03 0.04 0.01 -0.07 0.03 0.03 65 8 0.00 0.00 0.00 -0.03 0.04 -0.01 -0.04 0.03 0.01 66 6 0.00 0.00 0.00 0.05 0.00 0.01 0.08 0.01 0.03 67 1 0.00 0.00 0.00 0.04 0.00 0.00 0.06 -0.01 0.00 68 1 0.00 0.00 0.00 0.03 0.00 0.00 0.02 0.00 -0.02 69 1 -0.01 0.00 0.00 0.05 0.01 0.00 0.11 0.01 0.02 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 92 93 A A A Frequencies -- 934.0291 936.5347 947.2815 Red. masses -- 4.2825 3.1322 3.0518 Frc consts -- 2.2012 1.6186 1.6135 IR Inten -- 105.1376 34.0091 6.9879 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.06 -0.04 0.01 0.02 0.03 0.04 2 6 0.01 -0.01 -0.02 0.02 0.00 0.16 0.04 -0.04 -0.05 3 6 0.01 0.00 0.00 -0.12 -0.15 0.04 -0.06 -0.02 0.00 4 6 0.00 0.00 0.00 0.08 0.11 -0.12 0.03 0.01 -0.03 5 6 0.01 -0.01 0.00 -0.03 -0.04 0.11 0.01 -0.02 0.03 6 1 0.01 0.00 0.01 -0.32 -0.07 -0.12 -0.07 0.00 0.00 7 1 0.00 0.00 0.00 0.13 0.04 -0.11 0.04 -0.02 -0.03 8 1 0.00 -0.01 0.00 0.37 0.20 0.28 0.05 0.00 0.00 9 1 0.00 -0.01 0.00 0.27 0.15 0.36 0.04 -0.02 0.02 10 8 -0.01 0.01 0.00 -0.04 0.00 -0.09 -0.03 0.04 0.02 11 8 -0.02 -0.01 0.01 0.09 0.07 -0.06 0.05 -0.02 0.01 12 8 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.02 0.02 13 1 0.00 0.00 0.00 0.02 -0.03 -0.04 0.05 -0.05 -0.06 14 8 0.00 0.00 0.00 -0.06 -0.01 -0.03 -0.02 0.00 -0.01 15 1 0.00 0.00 0.00 0.23 -0.06 0.23 0.05 -0.02 0.05 16 6 0.00 0.00 0.00 -0.01 0.02 -0.04 -0.01 0.01 0.01 17 8 0.00 0.00 0.00 0.01 0.01 0.02 -0.01 -0.02 -0.01 18 8 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 19 6 0.00 0.00 0.00 -0.01 0.00 0.00 0.03 0.01 0.00 20 1 0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 0.01 0.01 21 1 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 0.01 22 1 0.00 0.00 0.00 -0.02 -0.01 0.00 0.05 0.02 0.00 23 6 0.00 0.06 -0.10 -0.09 -0.01 0.04 -0.01 -0.02 0.19 24 6 0.03 0.19 0.14 0.02 0.01 0.02 -0.06 0.08 -0.05 25 6 -0.05 0.10 -0.04 -0.03 -0.01 0.01 0.07 0.03 0.03 26 6 -0.05 -0.07 0.06 0.00 0.03 -0.02 -0.06 -0.08 -0.03 27 6 0.03 0.03 0.07 0.04 -0.04 0.02 0.03 0.09 -0.13 28 1 -0.13 0.17 -0.30 -0.12 0.00 0.02 0.01 -0.20 0.35 29 1 -0.04 0.03 -0.07 -0.11 -0.07 0.03 0.25 0.13 -0.03 30 1 -0.02 -0.08 0.07 0.02 0.02 -0.02 -0.20 -0.04 -0.06 31 1 0.04 0.01 0.10 0.11 -0.10 0.09 0.10 0.32 -0.47 32 1 0.16 0.40 0.00 0.03 0.04 0.00 -0.03 0.18 -0.12 33 8 0.00 -0.10 0.02 -0.01 0.01 -0.02 0.02 -0.10 -0.01 34 8 -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 -0.02 0.00 35 8 0.02 -0.10 -0.06 0.00 -0.01 -0.01 0.01 -0.02 -0.02 36 1 0.03 -0.01 -0.02 0.01 0.03 0.03 -0.01 -0.12 -0.13 37 8 0.01 -0.01 -0.03 0.00 -0.01 0.00 -0.01 0.05 0.06 38 1 0.02 0.06 0.05 0.00 0.01 -0.02 0.00 0.13 0.13 39 6 -0.02 0.09 0.01 0.06 0.05 -0.03 0.00 -0.07 -0.02 40 8 -0.04 0.00 -0.09 -0.03 0.00 -0.02 0.04 0.00 0.08 41 8 0.02 0.00 0.03 -0.01 -0.01 0.01 -0.02 0.00 -0.05 42 6 0.06 -0.09 0.05 0.02 -0.03 0.02 -0.05 0.07 -0.04 43 1 0.02 -0.01 0.04 0.01 -0.02 0.02 -0.01 -0.01 -0.03 44 1 0.03 -0.02 0.05 0.01 -0.01 0.01 -0.02 -0.01 -0.04 45 1 0.10 -0.12 0.11 0.03 -0.03 0.02 -0.09 0.11 -0.10 46 6 -0.09 0.13 0.13 0.01 -0.01 -0.01 -0.03 0.06 0.04 47 6 0.05 -0.02 -0.08 0.00 0.00 0.01 0.03 -0.02 -0.01 48 6 0.04 0.03 0.04 0.00 0.00 0.00 0.00 -0.01 0.00 49 6 0.04 0.00 0.01 -0.01 0.00 0.00 0.01 0.01 0.00 50 6 -0.06 0.03 -0.06 0.01 0.00 0.00 -0.02 -0.02 -0.01 51 1 -0.07 0.19 0.24 0.00 -0.01 -0.01 -0.03 0.07 0.06 52 1 0.06 0.05 0.15 0.00 -0.01 -0.01 -0.02 0.00 -0.01 53 1 0.09 -0.04 -0.03 -0.01 0.00 0.00 0.00 0.02 0.00 54 1 -0.12 -0.17 -0.23 0.00 0.01 0.02 -0.02 -0.08 -0.08 55 1 0.05 -0.08 -0.14 0.00 0.01 0.02 0.04 -0.01 -0.01 56 8 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 -0.01 0.01 57 8 -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.05 0.10 0.02 0.00 -0.01 0.00 0.02 0.04 0.00 59 8 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 60 1 -0.10 0.03 0.04 0.01 0.00 0.00 0.00 0.01 0.00 61 8 -0.02 -0.01 -0.03 0.00 0.00 0.00 -0.01 -0.01 -0.01 62 1 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.03 63 6 0.02 0.08 0.04 0.00 0.00 0.00 0.01 0.02 0.02 64 8 0.08 -0.04 -0.04 -0.01 0.00 0.00 0.03 -0.01 -0.01 65 8 0.03 -0.03 -0.02 0.00 0.00 0.00 0.01 -0.01 -0.01 66 6 -0.09 -0.01 -0.03 0.01 0.00 0.00 -0.03 0.00 -0.01 67 1 -0.08 0.01 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 68 1 0.00 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.01 69 1 -0.16 -0.01 -0.02 0.01 0.00 0.00 -0.06 -0.01 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 95 96 A A A Frequencies -- 964.8628 980.1012 1020.3528 Red. masses -- 5.8568 2.9911 2.6583 Frc consts -- 3.2125 1.6929 1.6306 IR Inten -- 176.9921 13.2257 50.2788 Atom AN X Y Z X Y Z X Y Z 1 6 -0.05 -0.14 -0.15 0.00 0.01 0.01 0.05 -0.08 -0.04 2 6 -0.12 0.16 0.32 0.00 0.00 -0.02 -0.05 0.17 -0.08 3 6 0.01 0.09 -0.03 0.01 -0.01 0.01 0.04 -0.04 0.08 4 6 -0.15 -0.02 0.12 0.01 0.00 -0.01 0.02 0.00 -0.11 5 6 0.03 0.04 -0.13 -0.01 0.00 0.01 -0.06 0.06 0.07 6 1 -0.09 0.03 -0.19 0.02 -0.01 0.02 0.32 -0.21 0.25 7 1 -0.15 0.11 0.20 0.02 -0.02 -0.02 0.18 -0.32 -0.18 8 1 -0.19 -0.10 0.08 0.02 0.02 0.01 0.14 0.18 0.43 9 1 -0.19 0.11 0.21 0.01 0.00 -0.02 -0.20 0.11 -0.11 10 8 0.07 -0.12 -0.09 0.00 0.00 0.00 -0.01 0.01 0.02 11 8 0.07 0.02 -0.06 -0.01 0.00 0.00 -0.05 -0.09 0.06 12 8 -0.01 -0.06 -0.06 0.00 0.00 0.00 0.02 -0.02 -0.04 13 1 -0.04 -0.02 -0.02 -0.01 0.01 0.02 -0.09 0.13 0.11 14 8 0.12 0.00 0.06 -0.01 0.00 0.00 0.00 0.01 0.00 15 1 -0.20 0.07 -0.22 0.02 -0.01 0.02 0.20 -0.03 0.18 16 6 0.06 -0.07 -0.07 0.00 0.00 0.00 0.01 -0.05 -0.07 17 8 0.08 0.10 0.06 0.00 0.00 0.00 0.08 0.05 0.03 18 8 0.02 0.04 0.04 0.00 0.00 0.00 -0.02 0.01 0.02 19 6 -0.14 -0.03 0.02 0.01 0.00 0.00 -0.08 -0.02 0.01 20 1 -0.11 -0.07 -0.03 0.00 0.00 0.00 -0.07 -0.04 -0.02 21 1 0.03 -0.03 -0.03 0.00 0.00 0.00 0.01 -0.02 -0.02 22 1 -0.21 -0.11 0.01 0.01 0.00 0.00 -0.10 -0.06 0.01 23 6 -0.03 0.01 0.09 0.01 0.00 -0.02 0.04 0.04 -0.02 24 6 -0.03 0.05 -0.03 0.04 -0.05 -0.05 0.00 0.00 -0.01 25 6 0.03 0.01 0.03 0.01 -0.04 0.00 0.04 0.01 0.00 26 6 -0.03 -0.02 -0.04 -0.01 0.03 0.00 -0.04 0.00 -0.02 27 6 0.04 0.02 -0.02 -0.01 -0.03 0.02 -0.01 0.00 0.02 28 1 -0.03 -0.04 0.13 0.02 0.03 -0.03 0.03 0.04 -0.03 29 1 0.09 0.04 0.01 -0.05 -0.05 0.03 0.06 0.04 0.00 30 1 -0.14 0.00 -0.08 -0.02 0.03 0.00 -0.09 0.01 -0.05 31 1 0.18 0.05 -0.09 -0.03 -0.07 0.09 -0.01 0.01 0.01 32 1 0.00 0.11 -0.07 0.00 -0.13 0.00 -0.02 0.02 -0.02 33 8 0.01 -0.05 0.00 0.00 0.03 0.01 0.00 -0.01 0.00 34 8 0.01 0.00 0.00 0.00 0.10 -0.01 -0.01 0.00 0.01 35 8 0.00 -0.01 -0.01 -0.01 0.03 0.02 0.00 0.01 0.01 36 1 0.00 -0.06 -0.07 -0.01 0.02 0.01 -0.01 -0.07 -0.09 37 8 -0.01 0.01 0.02 0.00 -0.01 -0.01 0.00 0.00 0.00 38 1 0.00 0.09 0.03 0.00 -0.02 -0.01 0.00 0.08 0.03 39 6 0.02 -0.01 -0.02 0.00 0.00 0.00 -0.01 -0.02 0.01 40 8 -0.01 0.01 0.01 0.00 0.00 0.00 0.03 -0.03 0.02 41 8 -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.01 0.00 0.00 0.00 -0.02 0.03 -0.02 43 1 0.00 -0.02 0.00 0.00 0.00 0.00 -0.01 0.02 -0.02 44 1 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.01 -0.01 45 1 -0.02 0.02 -0.03 0.00 0.00 0.00 -0.01 0.01 0.00 46 6 -0.02 0.04 0.02 -0.11 0.11 0.01 0.01 0.00 0.00 47 6 0.02 -0.02 0.01 0.15 -0.11 0.09 -0.01 0.00 -0.01 48 6 0.00 -0.01 -0.01 -0.02 0.00 -0.11 0.00 0.00 0.01 49 6 0.00 0.01 0.01 0.00 0.01 0.06 0.01 0.00 -0.01 50 6 0.00 -0.03 0.01 0.06 -0.13 0.03 -0.01 0.00 0.00 51 1 -0.03 0.05 0.03 -0.20 0.15 -0.01 0.02 0.00 0.00 52 1 -0.03 0.00 -0.04 -0.26 0.02 -0.38 0.01 0.00 0.03 53 1 -0.03 0.03 0.01 -0.32 0.17 0.08 0.03 0.00 0.00 54 1 0.01 -0.06 -0.06 0.23 -0.23 -0.36 -0.03 -0.01 0.02 55 1 0.03 0.00 0.02 0.19 -0.02 0.15 -0.01 0.00 -0.02 56 8 0.00 -0.01 0.00 -0.03 -0.02 0.02 0.00 0.00 0.00 57 8 0.00 0.01 0.00 0.01 0.05 -0.02 0.00 0.00 0.00 58 1 0.01 0.02 0.00 0.05 0.10 -0.02 0.00 0.00 0.00 59 8 -0.01 0.00 0.01 -0.06 0.00 0.04 0.00 0.00 0.00 60 1 0.01 0.00 0.00 0.20 -0.01 -0.04 -0.01 0.00 0.00 61 8 0.00 -0.01 -0.01 -0.01 -0.03 -0.03 0.00 0.00 0.00 62 1 0.01 -0.01 0.01 -0.04 -0.02 -0.07 0.00 0.01 0.03 63 6 0.00 0.01 0.01 0.00 0.04 0.06 0.00 0.00 0.00 64 8 0.02 -0.01 -0.01 0.08 -0.01 -0.01 0.00 0.00 0.00 65 8 0.00 -0.01 -0.01 0.02 -0.02 -0.02 0.00 0.00 0.00 66 6 -0.02 0.00 -0.01 -0.08 -0.01 -0.02 0.00 0.00 0.00 67 1 -0.02 0.00 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 0.00 69 1 -0.03 0.00 0.00 -0.10 -0.01 -0.01 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 98 99 A A A Frequencies -- 1025.9973 1039.7742 1041.6402 Red. masses -- 4.8613 3.2422 6.4197 Frc consts -- 3.0151 2.0652 4.1039 IR Inten -- 178.1455 23.1973 265.5409 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.13 -0.08 0.00 0.01 0.01 0.01 -0.02 -0.01 2 6 0.16 -0.09 -0.13 -0.04 0.03 0.02 0.00 -0.03 -0.06 3 6 -0.09 -0.02 -0.03 0.03 0.01 0.01 0.02 -0.01 0.01 4 6 -0.09 0.10 0.08 0.01 -0.02 -0.02 0.01 0.02 0.01 5 6 0.12 -0.11 -0.06 -0.02 0.02 0.01 0.02 -0.01 0.00 6 1 -0.13 0.03 -0.04 0.06 -0.02 0.02 0.05 -0.02 0.03 7 1 -0.17 0.21 0.07 0.04 -0.06 -0.02 -0.02 0.03 0.00 8 1 -0.01 -0.21 0.29 0.01 0.04 -0.01 -0.01 -0.03 0.06 9 1 0.32 0.07 0.26 -0.08 0.00 -0.05 0.01 -0.02 -0.02 10 8 -0.14 0.20 0.08 0.02 -0.03 -0.01 -0.02 0.05 0.02 11 8 -0.03 0.00 0.02 -0.03 0.00 0.00 -0.04 0.01 0.02 12 8 -0.01 0.02 0.03 0.00 -0.01 -0.01 0.00 0.00 0.00 13 1 0.13 -0.18 -0.17 -0.04 0.06 0.06 -0.02 0.03 0.04 14 8 0.06 -0.01 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 15 1 -0.08 -0.01 -0.12 0.02 0.00 0.02 -0.01 -0.01 -0.01 16 6 0.04 -0.12 -0.07 0.00 0.01 0.00 0.01 -0.03 -0.02 17 8 0.14 0.08 0.03 -0.01 -0.01 0.00 0.03 0.02 0.00 18 8 -0.01 0.04 0.03 0.00 0.00 0.00 -0.01 0.01 0.01 19 6 -0.15 -0.04 0.01 0.01 0.00 0.00 -0.04 -0.01 0.00 20 1 -0.11 -0.07 -0.03 0.01 0.00 0.00 -0.02 -0.01 -0.01 21 1 -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 -0.01 -0.01 22 1 -0.17 -0.09 0.02 0.01 0.00 0.00 -0.03 -0.02 0.00 23 6 -0.03 0.00 -0.03 -0.01 0.05 0.03 0.22 -0.04 0.19 24 6 0.06 -0.04 0.04 0.01 0.01 0.05 0.07 -0.06 -0.06 25 6 -0.04 0.01 -0.04 -0.11 0.00 0.00 0.06 -0.01 0.02 26 6 0.03 -0.02 0.04 0.12 -0.04 0.03 -0.04 0.03 -0.10 27 6 0.02 0.01 -0.02 0.04 0.01 -0.03 0.01 -0.07 0.02 28 1 -0.07 -0.01 -0.05 -0.04 0.04 0.01 0.31 -0.16 0.36 29 1 -0.10 -0.05 -0.02 -0.21 -0.10 0.01 -0.07 0.00 0.09 30 1 0.18 -0.06 0.08 0.28 -0.07 0.10 0.01 0.03 -0.06 31 1 -0.09 0.06 -0.07 0.03 0.11 -0.18 -0.04 -0.01 -0.05 32 1 0.02 -0.06 0.06 -0.01 0.11 -0.01 -0.10 0.06 -0.13 33 8 -0.03 0.02 -0.02 -0.03 -0.03 -0.04 -0.09 -0.02 -0.10 34 8 -0.02 -0.01 0.01 0.01 -0.05 0.01 -0.07 -0.04 0.06 35 8 0.00 0.00 0.01 -0.01 -0.03 -0.03 0.00 0.02 0.01 36 1 0.01 0.08 0.09 0.02 0.17 0.22 -0.02 -0.12 -0.18 37 8 0.00 0.00 0.00 0.00 0.03 0.02 -0.01 0.01 0.03 38 1 0.00 0.03 0.03 -0.03 -0.13 -0.12 0.00 0.04 0.06 39 6 0.01 0.00 0.01 0.02 -0.02 0.00 -0.06 0.01 -0.03 40 8 0.03 -0.05 0.03 0.03 -0.05 0.03 -0.18 0.27 -0.14 41 8 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.04 42 6 -0.03 0.04 -0.04 -0.03 0.04 -0.04 0.18 -0.19 0.20 43 1 -0.01 0.03 -0.02 -0.02 0.03 -0.03 0.09 -0.19 0.14 44 1 -0.03 0.03 -0.01 -0.03 0.03 -0.02 0.16 -0.15 0.09 45 1 0.00 0.01 0.01 -0.01 0.02 -0.01 -0.02 -0.02 -0.07 46 6 -0.01 -0.02 0.00 0.02 -0.10 0.10 0.03 -0.05 0.04 47 6 0.01 0.00 0.02 -0.02 0.05 0.13 -0.02 0.04 0.06 48 6 -0.01 0.01 -0.02 -0.06 0.02 -0.05 -0.02 0.01 -0.03 49 6 -0.01 -0.01 0.00 -0.10 -0.05 0.01 -0.02 -0.03 -0.02 50 6 0.02 0.02 -0.01 0.08 0.07 -0.11 0.02 0.04 -0.05 51 1 -0.01 -0.01 0.01 0.04 -0.03 0.22 0.05 -0.04 0.08 52 1 -0.03 0.01 -0.05 -0.10 0.00 -0.19 -0.04 0.00 -0.06 53 1 -0.03 -0.01 -0.01 -0.16 -0.02 -0.01 -0.02 -0.03 -0.04 54 1 0.03 0.02 -0.03 0.15 0.08 -0.19 0.01 0.02 -0.06 55 1 0.00 0.01 0.04 -0.07 0.12 0.26 -0.04 0.06 0.11 56 8 0.00 0.01 -0.01 0.06 0.01 -0.11 0.03 0.01 -0.05 57 8 0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 0.01 58 1 -0.01 -0.01 0.00 -0.12 -0.24 0.00 -0.06 -0.11 0.00 59 8 -0.01 0.00 0.00 0.01 -0.02 -0.02 0.00 -0.01 -0.01 60 1 0.05 0.00 -0.02 0.20 -0.04 -0.08 0.10 -0.01 -0.04 61 8 0.00 0.01 0.01 0.03 0.03 0.06 0.01 0.02 0.04 62 1 -0.01 -0.01 -0.06 -0.04 -0.05 -0.22 -0.02 0.00 -0.07 63 6 0.00 0.01 0.00 -0.01 0.09 0.01 -0.01 0.04 0.01 64 8 0.00 0.00 0.00 0.07 -0.01 0.01 0.03 0.00 0.00 65 8 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.01 -0.01 0.00 66 6 0.00 0.00 0.00 -0.06 0.00 -0.01 -0.03 0.00 -0.01 67 1 0.00 0.00 0.00 -0.04 0.01 0.01 -0.02 0.01 0.01 68 1 -0.01 0.00 0.00 -0.03 0.01 0.01 -0.01 0.01 0.00 69 1 0.00 0.00 0.00 -0.04 -0.01 -0.01 -0.02 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 101 102 A A A Frequencies -- 1047.2004 1059.9307 1067.4404 Red. masses -- 3.3005 5.6871 4.1783 Frc consts -- 2.1325 3.7644 2.8050 IR Inten -- 314.9980 158.9194 45.7974 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 2 6 -0.04 0.01 0.00 0.06 0.07 0.08 -0.03 -0.02 0.00 3 6 0.03 0.01 0.01 -0.08 0.02 -0.02 0.03 0.00 0.00 4 6 0.01 -0.01 0.00 -0.04 -0.02 -0.03 0.03 0.00 0.03 5 6 -0.01 0.01 0.00 -0.02 0.02 0.00 0.00 0.00 -0.01 6 1 0.05 -0.01 0.02 -0.08 0.01 -0.02 -0.03 0.03 -0.04 7 1 0.02 -0.03 -0.01 0.02 -0.08 -0.02 0.00 0.07 0.05 8 1 0.00 0.02 0.00 0.01 0.04 -0.01 -0.04 -0.02 -0.10 9 1 -0.06 -0.01 -0.04 0.03 0.06 0.07 0.00 -0.02 -0.02 10 8 0.01 -0.01 0.00 0.02 -0.06 -0.03 0.01 0.00 0.00 11 8 -0.05 0.01 0.01 0.11 -0.08 -0.02 -0.04 0.05 0.00 12 8 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 13 1 -0.05 0.06 0.07 0.09 -0.12 -0.15 -0.04 0.04 0.06 14 8 -0.01 0.00 0.00 0.04 0.00 0.02 -0.03 0.00 -0.01 15 1 0.01 0.00 0.01 0.03 0.01 0.02 -0.03 0.00 -0.01 16 6 0.00 0.00 -0.01 -0.01 0.04 0.03 0.00 0.00 0.00 17 8 0.00 0.00 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 18 8 0.00 0.00 0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 19 6 0.00 0.00 0.00 0.06 0.02 0.00 0.00 0.00 0.00 20 1 -0.01 0.00 0.00 0.04 0.02 0.01 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.02 0.02 0.01 0.00 0.00 0.00 22 1 -0.01 0.00 0.00 0.04 0.02 -0.01 0.00 0.00 0.00 23 6 0.04 0.05 0.09 0.04 0.03 -0.08 0.04 0.12 0.08 24 6 0.05 0.00 0.02 0.27 -0.14 0.12 0.19 -0.03 -0.04 25 6 -0.13 0.00 0.02 0.09 0.07 -0.16 -0.04 0.01 0.01 26 6 0.13 -0.03 0.01 -0.10 -0.17 -0.01 -0.01 0.00 0.00 27 6 0.06 -0.01 -0.03 -0.12 0.14 0.06 0.06 -0.08 0.02 28 1 0.04 0.02 0.10 -0.12 -0.13 -0.12 -0.01 0.21 -0.04 29 1 -0.34 -0.15 0.07 0.06 0.05 -0.14 -0.32 -0.11 0.10 30 1 0.37 -0.07 0.12 0.12 -0.22 0.04 0.19 -0.03 0.11 31 1 0.03 0.12 -0.23 -0.07 0.25 -0.12 0.08 -0.03 -0.04 32 1 0.02 0.18 -0.09 0.00 -0.22 0.19 0.10 0.17 -0.17 33 8 -0.06 -0.04 -0.07 -0.14 0.03 -0.09 -0.08 -0.04 -0.08 34 8 -0.01 -0.01 0.00 -0.12 -0.04 0.05 -0.07 0.08 0.03 35 8 -0.01 -0.04 -0.04 -0.01 0.06 0.09 0.00 -0.01 -0.02 36 1 0.03 0.20 0.22 -0.05 -0.15 -0.22 0.01 0.05 -0.02 37 8 0.00 0.04 0.03 -0.02 0.05 0.02 0.00 0.00 0.00 38 1 -0.03 -0.16 -0.13 0.00 0.25 0.16 0.00 -0.02 0.01 39 6 0.01 -0.02 -0.01 0.00 -0.04 0.02 0.03 -0.02 -0.01 40 8 0.00 0.01 0.00 0.02 -0.01 0.01 0.04 -0.05 0.04 41 8 -0.01 0.00 -0.01 0.01 0.01 0.02 -0.01 0.00 -0.01 42 6 0.00 0.00 0.01 -0.02 0.02 -0.02 -0.04 0.04 -0.04 43 1 0.00 -0.01 0.00 -0.02 0.04 -0.01 -0.01 0.02 -0.03 44 1 0.01 -0.01 0.00 -0.03 0.04 -0.02 -0.03 0.02 -0.03 45 1 -0.02 0.02 -0.02 0.01 0.00 0.01 -0.02 0.03 -0.01 46 6 -0.06 0.01 -0.06 -0.01 -0.02 -0.02 0.03 0.08 -0.10 47 6 0.13 -0.07 -0.11 0.05 0.00 0.00 -0.16 0.02 0.03 48 6 0.04 0.02 -0.01 0.01 0.03 -0.04 0.02 -0.02 0.04 49 6 0.01 0.00 0.01 0.02 -0.05 -0.04 0.11 0.02 -0.07 50 6 0.04 0.05 0.06 0.03 0.07 -0.01 -0.11 -0.10 0.08 51 1 -0.14 0.03 -0.13 -0.02 -0.02 -0.04 0.10 -0.10 -0.27 52 1 0.02 0.04 0.06 -0.03 0.04 -0.03 0.05 -0.03 0.05 53 1 0.01 -0.03 -0.06 0.05 -0.08 -0.10 0.17 0.01 -0.01 54 1 0.03 0.06 0.08 -0.04 0.02 0.05 -0.24 -0.16 0.19 55 1 0.12 -0.09 -0.12 0.03 -0.01 0.01 -0.06 -0.06 -0.14 56 8 -0.12 0.04 0.10 -0.03 0.02 0.02 0.10 -0.07 0.01 57 8 -0.01 -0.03 -0.01 -0.01 -0.01 0.00 0.03 0.04 0.00 58 1 0.17 0.31 0.01 0.02 0.04 0.00 -0.11 -0.16 -0.04 59 8 -0.03 0.01 0.03 -0.03 0.00 0.01 0.01 0.01 -0.01 60 1 -0.02 0.04 0.02 0.10 0.01 -0.03 -0.16 0.00 0.05 61 8 -0.01 -0.01 -0.01 0.01 0.02 0.04 -0.01 0.00 -0.01 62 1 -0.02 -0.03 -0.08 -0.01 -0.02 -0.11 0.02 0.08 0.21 63 6 0.02 -0.06 -0.05 0.00 -0.01 0.00 -0.04 -0.01 0.11 64 8 -0.10 0.01 -0.01 0.00 0.00 0.00 0.10 0.01 0.00 65 8 0.04 0.01 0.02 0.01 0.00 0.00 -0.04 0.00 -0.04 66 6 0.08 0.01 0.02 0.00 0.00 0.00 -0.08 -0.01 -0.02 67 1 0.05 -0.02 -0.01 0.01 0.00 0.00 -0.06 0.02 0.01 68 1 0.01 -0.02 -0.02 -0.01 0.00 -0.01 -0.02 0.02 0.02 69 1 0.08 0.02 0.01 0.02 0.00 0.00 -0.09 -0.02 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 104 105 A A A Frequencies -- 1073.7767 1082.8018 1084.9441 Red. masses -- 3.8313 5.0589 5.2565 Frc consts -- 2.6027 3.4947 3.6455 IR Inten -- 252.7707 37.9268 24.0686 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.01 0.00 0.00 0.02 0.01 0.00 0.09 0.06 2 6 0.04 0.05 0.00 -0.03 -0.01 0.00 -0.09 -0.04 0.01 3 6 -0.03 0.01 0.01 0.01 0.01 -0.01 0.04 0.02 -0.05 4 6 -0.07 -0.01 -0.06 0.05 -0.02 0.02 0.24 -0.07 0.12 5 6 -0.01 0.00 0.02 0.00 0.01 0.01 0.00 0.05 0.06 6 1 0.07 -0.05 0.08 0.00 0.02 -0.02 -0.08 0.11 -0.11 7 1 -0.01 -0.12 -0.10 0.05 -0.01 0.03 0.26 -0.02 0.18 8 1 0.08 0.06 0.18 -0.04 -0.01 -0.07 -0.19 -0.06 -0.41 9 1 0.00 0.04 0.04 -0.07 -0.04 -0.04 -0.21 -0.12 -0.13 10 8 -0.01 0.00 0.00 0.00 0.00 0.01 0.03 -0.02 0.02 11 8 0.04 -0.08 0.00 0.00 0.01 0.00 0.04 0.03 -0.03 12 8 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.03 13 1 0.05 -0.05 -0.08 -0.02 0.02 0.03 -0.03 0.04 0.07 14 8 0.06 0.00 0.03 -0.04 0.00 -0.02 -0.18 -0.01 -0.08 15 1 0.04 0.01 0.01 0.00 -0.01 0.02 0.01 -0.03 0.11 16 6 0.00 0.01 0.00 0.00 -0.02 -0.02 -0.01 -0.08 -0.09 17 8 -0.01 0.00 0.00 0.05 0.01 0.00 0.22 0.06 -0.01 18 8 0.00 0.00 0.00 -0.02 0.00 0.01 -0.09 0.01 0.02 19 6 0.01 0.00 0.00 -0.04 -0.02 0.00 -0.17 -0.07 -0.01 20 1 0.00 0.00 0.00 -0.02 0.00 0.00 -0.09 -0.01 -0.01 21 1 0.01 0.00 0.00 -0.03 -0.02 0.00 -0.13 -0.07 0.00 22 1 0.00 0.00 0.00 -0.01 0.00 0.01 -0.03 -0.02 0.02 23 6 0.01 -0.12 -0.07 -0.04 -0.05 -0.02 -0.07 -0.09 -0.03 24 6 -0.07 0.03 0.04 -0.04 0.02 0.01 0.04 -0.02 0.08 25 6 -0.09 -0.06 -0.02 0.00 -0.01 -0.02 0.00 0.00 -0.09 26 6 0.16 -0.10 0.00 0.00 0.00 0.02 0.00 -0.08 0.00 27 6 -0.07 0.14 -0.03 0.03 0.02 -0.03 0.07 0.07 -0.03 28 1 0.03 -0.31 0.10 -0.03 -0.06 0.01 -0.10 -0.15 -0.02 29 1 -0.17 -0.14 -0.01 0.13 0.03 -0.06 0.08 0.01 -0.12 30 1 0.28 -0.14 0.01 -0.11 0.03 -0.03 -0.05 -0.08 -0.05 31 1 -0.14 0.28 -0.23 0.03 0.00 -0.01 0.09 0.12 -0.11 32 1 0.05 -0.06 0.09 -0.04 -0.09 0.08 0.03 -0.16 0.17 33 8 0.01 0.04 0.02 0.02 0.01 0.02 -0.02 0.03 -0.01 34 8 0.10 0.07 -0.06 0.02 0.00 -0.01 0.01 0.00 -0.02 35 8 -0.02 0.01 0.01 0.00 0.01 0.01 -0.01 0.03 0.05 36 1 0.00 0.19 0.22 0.00 0.02 0.06 -0.02 0.00 0.01 37 8 -0.02 0.08 0.05 0.00 0.00 0.00 -0.01 0.04 0.02 38 1 -0.06 -0.12 -0.15 0.00 -0.01 0.00 -0.01 0.02 0.04 39 6 -0.04 0.00 0.02 0.00 0.01 0.00 0.02 0.01 0.00 40 8 -0.05 0.08 -0.05 -0.01 0.01 -0.01 -0.02 0.02 -0.01 41 8 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 42 6 0.05 -0.06 0.05 0.01 -0.01 0.01 0.01 -0.01 0.01 43 1 0.02 -0.03 0.04 0.00 0.00 0.01 0.00 0.00 0.01 44 1 0.04 -0.03 0.03 0.01 0.00 0.01 0.00 0.00 0.00 45 1 0.01 -0.03 0.01 0.00 -0.01 0.00 0.01 -0.01 0.01 46 6 -0.01 0.05 -0.07 0.06 -0.08 -0.13 -0.04 0.03 0.00 47 6 -0.10 -0.02 0.02 0.14 0.01 -0.11 -0.05 -0.02 0.04 48 6 0.00 -0.01 0.04 -0.01 -0.02 0.03 0.00 0.02 -0.01 49 6 0.02 0.03 0.02 -0.10 -0.05 -0.14 0.03 0.00 0.05 50 6 -0.05 -0.08 0.05 0.07 0.00 0.00 -0.01 0.01 0.02 51 1 0.01 -0.03 -0.16 0.05 -0.14 -0.27 -0.05 0.03 0.00 52 1 0.04 -0.04 0.01 0.11 0.00 0.27 -0.04 0.01 -0.09 53 1 0.02 0.05 0.07 0.00 -0.13 -0.21 0.03 0.00 0.04 54 1 -0.05 -0.06 0.07 -0.02 0.20 0.39 0.00 -0.04 -0.06 55 1 -0.03 -0.07 -0.11 0.12 0.01 -0.09 -0.02 -0.05 -0.01 56 8 0.06 -0.05 0.01 -0.13 0.06 0.07 0.05 -0.03 -0.01 57 8 0.03 0.04 0.00 -0.03 -0.06 0.00 0.01 0.03 -0.01 58 1 -0.05 -0.07 -0.02 0.14 0.21 0.04 -0.05 -0.07 -0.02 59 8 0.03 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 60 1 -0.16 -0.01 0.05 0.04 0.02 -0.02 -0.02 -0.01 0.01 61 8 -0.01 -0.02 -0.03 0.05 0.07 0.11 -0.01 -0.02 -0.03 62 1 0.01 0.03 0.11 0.01 0.00 -0.11 -0.01 -0.01 -0.01 63 6 -0.02 -0.01 0.05 -0.07 0.01 0.13 0.01 -0.01 -0.02 64 8 0.05 0.00 0.01 0.26 0.03 0.07 -0.05 -0.01 -0.01 65 8 -0.02 0.00 -0.02 -0.08 -0.02 -0.07 0.02 0.00 0.01 66 6 -0.04 0.00 -0.01 -0.20 -0.01 -0.02 0.04 0.00 0.00 67 1 -0.03 0.01 0.00 -0.04 0.03 -0.03 0.01 -0.01 0.00 68 1 -0.02 0.00 0.01 -0.21 -0.01 -0.02 0.04 0.00 0.00 69 1 -0.04 -0.01 0.00 0.00 -0.01 -0.03 0.00 0.00 0.01 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 107 108 A A A Frequencies -- 1093.1124 1101.6250 1105.4492 Red. masses -- 2.9991 4.4475 2.9892 Frc consts -- 2.1114 3.1800 2.1522 IR Inten -- 48.7642 58.3307 43.4455 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.01 0.01 0.00 -0.07 -0.05 0.00 -0.01 0.00 2 6 0.01 0.00 0.00 -0.11 -0.06 -0.04 -0.01 -0.01 0.00 3 6 -0.01 0.00 -0.01 0.08 -0.02 0.08 0.01 0.00 0.01 4 6 0.02 0.00 0.02 -0.06 0.05 -0.02 -0.01 0.00 0.00 5 6 0.00 0.00 0.00 0.00 -0.03 -0.04 0.00 0.00 0.00 6 1 -0.02 0.01 -0.02 0.11 -0.08 0.05 0.02 -0.01 0.01 7 1 0.02 0.02 0.03 -0.10 0.03 -0.06 -0.01 -0.01 -0.01 8 1 -0.03 -0.01 -0.06 0.08 0.01 0.21 0.01 0.00 0.03 9 1 0.02 0.01 0.00 -0.18 -0.09 -0.07 -0.03 -0.01 -0.01 10 8 0.00 -0.01 0.00 -0.01 0.05 0.01 0.00 0.01 0.00 11 8 0.01 0.00 -0.01 -0.11 0.09 0.02 -0.01 0.01 0.00 12 8 0.00 0.00 0.00 0.03 -0.03 -0.03 0.00 0.00 0.00 13 1 0.01 -0.02 -0.02 -0.18 0.22 0.26 -0.02 0.02 0.03 14 8 -0.02 0.00 -0.01 0.04 0.01 0.02 0.00 0.00 0.00 15 1 0.00 0.00 0.01 -0.03 -0.01 -0.06 0.00 0.00 -0.01 16 6 0.00 -0.01 -0.01 0.01 0.02 0.03 0.00 0.00 0.00 17 8 0.02 0.00 0.00 -0.10 -0.02 0.01 -0.01 0.00 0.00 18 8 -0.01 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 0.00 19 6 -0.01 -0.01 0.00 0.07 0.04 0.01 0.00 0.00 0.00 20 1 -0.01 0.00 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 21 1 -0.01 -0.01 0.00 0.09 0.04 -0.01 0.01 0.00 0.00 22 1 0.00 0.00 0.00 -0.03 -0.02 -0.01 0.00 0.00 0.00 23 6 0.02 0.03 0.00 -0.12 -0.13 0.02 -0.02 -0.03 -0.01 24 6 0.03 0.00 0.00 0.04 0.00 0.09 0.02 0.01 -0.01 25 6 0.00 -0.04 -0.03 0.03 -0.02 -0.16 -0.02 -0.02 -0.02 26 6 0.02 -0.04 -0.04 -0.03 -0.08 -0.04 0.02 -0.02 0.00 27 6 -0.02 0.00 0.03 0.29 -0.03 -0.04 0.04 0.01 -0.01 28 1 0.00 0.03 -0.03 -0.14 -0.04 -0.07 -0.03 -0.04 -0.01 29 1 -0.15 -0.10 0.02 0.12 0.01 -0.19 -0.04 -0.04 -0.01 30 1 0.10 -0.05 0.01 -0.28 -0.03 -0.15 -0.01 -0.02 -0.01 31 1 -0.03 0.02 -0.01 0.28 0.01 -0.08 0.02 0.03 -0.04 32 1 0.00 -0.01 0.00 0.00 -0.22 0.23 0.06 -0.03 0.00 33 8 -0.02 0.00 -0.02 -0.02 0.03 -0.02 0.00 0.01 0.01 34 8 0.00 0.07 0.00 0.02 -0.01 -0.02 0.00 0.05 -0.01 35 8 -0.01 0.03 0.03 -0.02 0.06 0.09 -0.01 0.01 0.01 36 1 -0.02 0.00 -0.02 -0.03 -0.05 -0.04 0.00 0.04 0.04 37 8 -0.01 0.03 0.03 -0.02 0.05 0.04 0.00 0.02 0.01 38 1 -0.02 -0.02 -0.02 -0.01 0.01 0.08 -0.01 -0.03 -0.02 39 6 0.00 0.00 0.00 0.05 0.05 -0.03 0.00 0.01 0.00 40 8 0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 42 6 -0.01 0.01 -0.01 0.01 -0.01 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 0.01 -0.01 0.01 0.00 0.00 0.00 45 1 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 46 6 0.14 -0.05 0.14 0.00 -0.01 0.00 -0.01 0.07 0.02 47 6 0.00 0.05 -0.12 -0.04 -0.04 0.00 0.15 0.23 0.01 48 6 0.09 -0.12 0.04 0.03 0.00 0.01 -0.14 -0.04 -0.04 49 6 -0.06 0.13 -0.01 -0.01 0.02 0.03 0.03 -0.02 -0.07 50 6 -0.02 -0.15 -0.10 0.01 0.00 -0.01 -0.05 -0.08 0.04 51 1 0.23 0.00 0.32 0.02 -0.01 0.01 -0.11 0.12 -0.02 52 1 0.14 -0.13 0.09 0.02 -0.02 -0.05 -0.06 0.04 0.32 53 1 -0.31 0.34 0.20 -0.05 0.04 0.03 0.16 -0.03 0.04 54 1 -0.02 -0.19 -0.14 0.00 -0.02 -0.01 -0.11 -0.16 0.03 55 1 -0.10 0.21 0.14 -0.04 -0.04 0.00 0.21 0.24 -0.02 56 8 -0.07 0.07 -0.02 0.00 0.00 0.00 0.02 -0.05 0.00 57 8 -0.01 -0.05 0.01 0.02 0.02 -0.01 -0.08 -0.12 0.06 58 1 0.13 0.19 0.04 0.02 0.05 -0.01 -0.14 -0.32 0.07 59 8 -0.02 0.01 0.03 0.00 0.00 0.01 0.00 0.00 -0.04 60 1 -0.16 0.01 0.08 -0.11 0.00 0.04 0.54 -0.03 -0.22 61 8 -0.01 -0.02 -0.03 -0.01 -0.01 -0.01 0.02 0.01 0.02 62 1 0.06 0.08 0.29 0.00 -0.01 0.00 0.04 0.07 0.18 63 6 0.00 0.01 -0.02 0.00 0.00 0.00 0.01 -0.01 -0.02 64 8 0.01 0.00 0.00 0.00 0.00 0.00 -0.05 -0.01 -0.02 65 8 -0.02 0.00 0.01 0.00 0.00 0.00 0.02 0.01 0.01 66 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.04 0.00 0.00 67 1 0.02 0.01 0.01 0.00 0.00 0.00 0.02 0.00 0.02 68 1 0.02 0.01 0.01 0.00 0.00 0.00 0.04 0.02 0.01 69 1 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.02 0.01 -0.01 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 110 111 A A A Frequencies -- 1107.2474 1124.0530 1127.8699 Red. masses -- 3.8992 4.7046 4.0388 Frc consts -- 2.8165 3.5022 3.0271 IR Inten -- 28.9225 84.0336 169.1342 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.00 0.01 0.00 -0.01 -0.02 -0.01 -0.07 -0.08 2 6 -0.02 0.00 0.02 0.00 0.02 -0.01 0.03 0.15 -0.02 3 6 0.02 0.03 -0.01 -0.02 -0.01 0.03 -0.10 -0.01 0.16 4 6 -0.04 -0.05 -0.05 0.03 0.04 0.04 0.13 0.18 0.18 5 6 -0.01 0.02 0.03 0.01 -0.02 -0.03 0.03 -0.07 -0.11 6 1 0.05 0.00 0.01 0.00 -0.02 0.04 0.00 -0.07 0.19 7 1 -0.01 -0.14 -0.09 0.05 0.08 0.08 0.27 0.31 0.40 8 1 0.05 0.06 0.13 -0.03 -0.04 -0.07 -0.12 -0.17 -0.32 9 1 -0.11 -0.04 0.01 0.01 0.02 -0.02 0.01 0.14 -0.05 10 8 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 -0.01 11 8 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.08 0.04 12 8 0.00 0.00 0.00 0.01 -0.01 -0.02 0.05 -0.06 -0.11 13 1 -0.01 0.02 0.01 -0.02 0.01 0.01 -0.05 0.02 0.01 14 8 0.03 0.01 0.02 -0.03 -0.01 -0.02 -0.12 -0.03 -0.07 15 1 -0.01 0.01 -0.02 0.04 -0.01 0.04 0.18 -0.06 0.22 16 6 0.00 0.00 -0.01 0.01 0.00 0.00 0.02 0.01 0.02 17 8 0.01 0.00 0.00 -0.02 0.00 0.00 -0.09 -0.01 0.01 18 8 -0.01 0.00 0.00 0.01 0.00 0.00 0.05 0.01 0.00 19 6 -0.01 0.00 0.00 0.01 0.01 0.00 0.06 0.04 0.02 20 1 0.00 0.00 0.00 0.00 -0.01 0.00 0.02 -0.04 -0.02 21 1 -0.01 0.00 0.00 0.02 0.01 0.00 0.14 0.04 -0.02 22 1 0.01 0.00 0.00 -0.02 -0.01 0.00 -0.09 -0.06 -0.01 23 6 -0.06 -0.10 0.00 -0.02 -0.03 -0.04 0.00 -0.02 -0.02 24 6 0.14 -0.04 -0.04 -0.04 0.03 -0.06 0.02 0.00 -0.01 25 6 -0.07 0.05 0.01 0.00 -0.02 0.03 -0.02 0.01 0.01 26 6 -0.02 0.13 0.26 0.03 -0.07 -0.08 0.01 0.03 0.06 27 6 0.03 0.09 -0.17 0.01 0.00 0.04 -0.02 0.04 -0.04 28 1 -0.04 -0.22 0.11 -0.01 -0.03 -0.03 0.00 -0.11 0.05 29 1 0.35 0.07 -0.18 -0.09 0.01 0.08 0.09 0.02 -0.04 30 1 -0.18 0.16 0.22 0.00 -0.07 -0.13 -0.05 0.04 0.04 31 1 0.09 0.11 -0.21 -0.05 -0.01 0.05 -0.03 0.08 -0.09 32 1 0.13 -0.10 0.01 0.05 0.02 -0.06 0.02 -0.02 0.00 33 8 0.00 0.03 0.01 0.04 0.01 0.05 0.00 0.00 0.01 34 8 -0.08 0.03 0.04 0.01 0.03 -0.01 -0.01 0.00 0.01 35 8 0.01 -0.04 -0.03 -0.01 0.00 -0.01 0.00 -0.01 -0.01 36 1 0.05 0.28 0.33 0.00 -0.01 -0.01 0.01 0.08 0.09 37 8 0.04 -0.12 -0.11 -0.01 0.05 0.04 0.01 -0.03 -0.02 38 1 0.06 -0.03 -0.02 -0.02 0.00 -0.01 0.01 0.00 -0.03 39 6 0.01 -0.03 0.00 -0.01 0.02 0.00 -0.01 -0.02 0.01 40 8 -0.03 0.05 -0.02 0.00 0.00 0.00 -0.01 0.02 -0.01 41 8 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.02 -0.02 0.02 0.00 0.00 0.00 0.01 -0.01 0.01 43 1 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 44 1 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 45 1 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 46 6 0.04 0.00 0.05 -0.01 0.05 0.06 0.01 -0.01 -0.01 47 6 -0.02 0.01 -0.01 -0.04 0.00 0.03 0.00 0.00 0.00 48 6 0.09 -0.02 -0.04 0.26 0.00 -0.18 -0.04 0.00 0.02 49 6 0.03 0.00 -0.03 0.00 -0.15 -0.18 0.01 0.02 0.04 50 6 -0.04 -0.02 -0.02 -0.10 -0.02 0.01 0.01 0.01 0.00 51 1 0.09 -0.02 0.08 0.02 0.04 0.06 0.01 -0.02 -0.02 52 1 0.08 -0.04 -0.07 0.37 -0.08 -0.23 -0.06 0.01 0.03 53 1 -0.07 0.06 -0.02 -0.11 -0.17 -0.40 0.03 0.03 0.08 54 1 -0.09 -0.09 -0.02 -0.26 -0.04 0.21 0.03 0.01 -0.04 55 1 -0.06 0.06 0.07 -0.08 0.07 0.15 0.01 -0.01 -0.02 56 8 0.00 0.01 -0.01 0.03 -0.01 0.01 0.00 0.00 0.00 57 8 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 58 1 0.01 0.03 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 59 8 -0.05 0.00 0.04 -0.19 0.00 0.12 0.02 0.00 -0.02 60 1 -0.04 0.01 0.03 0.04 0.02 0.05 0.00 0.00 -0.01 61 8 0.00 0.01 0.01 0.05 0.09 0.13 -0.01 -0.02 -0.03 62 1 0.00 0.03 0.04 -0.04 0.01 -0.21 0.00 0.00 0.05 63 6 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 64 8 -0.01 0.00 -0.01 -0.04 -0.01 -0.02 0.01 0.00 0.00 65 8 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 66 6 0.01 0.00 0.00 0.04 0.00 -0.01 -0.01 0.00 0.00 67 1 0.01 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 0.00 68 1 0.03 0.01 0.01 0.10 0.01 0.03 -0.02 0.00 -0.01 69 1 -0.02 0.00 0.00 -0.07 -0.01 0.01 0.01 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 113 114 A A A Frequencies -- 1133.5784 1144.1859 1153.8579 Red. masses -- 4.1574 5.2353 3.4634 Frc consts -- 3.1476 4.0382 2.7168 IR Inten -- 53.2909 9.8545 363.6739 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.01 0.01 -0.02 0.04 0.01 2 6 -0.01 -0.02 0.00 0.03 0.03 0.01 -0.19 -0.12 -0.04 3 6 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.05 -0.09 0.13 4 6 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.06 0.13 -0.02 5 6 0.00 0.00 0.01 0.00 0.00 0.00 0.03 -0.08 -0.05 6 1 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.10 -0.18 0.11 7 1 -0.01 -0.03 -0.02 -0.01 0.05 0.02 -0.14 0.24 -0.02 8 1 0.01 0.01 0.02 -0.01 -0.01 -0.04 0.06 -0.07 0.07 9 1 -0.03 -0.02 -0.01 0.08 0.05 0.02 -0.30 -0.20 -0.21 10 8 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.04 0.05 11 8 0.00 0.01 -0.01 -0.01 -0.01 0.02 0.19 0.05 -0.07 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.03 -0.04 13 1 -0.01 0.01 0.02 0.02 -0.03 -0.04 -0.28 0.34 0.41 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.01 15 1 -0.01 0.00 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.03 16 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.04 17 8 0.00 0.00 0.00 0.01 0.00 0.00 0.05 0.01 -0.02 18 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 19 6 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.05 -0.02 20 1 0.00 0.00 0.00 0.01 0.01 0.00 0.06 0.10 0.03 21 1 0.01 0.00 0.00 -0.02 -0.01 0.00 -0.20 -0.04 0.04 22 1 0.00 0.00 0.00 0.02 0.01 0.00 0.13 0.10 0.00 23 6 -0.04 -0.05 -0.05 0.08 0.12 0.10 0.01 0.04 -0.02 24 6 0.02 -0.02 -0.06 -0.14 0.02 0.23 -0.01 -0.03 0.02 25 6 -0.02 0.07 0.09 0.04 -0.06 -0.15 0.00 0.03 0.03 26 6 0.01 -0.07 -0.05 -0.03 0.13 0.08 -0.01 0.00 0.01 27 6 0.03 0.01 0.02 -0.05 -0.04 -0.03 -0.13 0.05 0.02 28 1 -0.03 -0.06 -0.03 0.10 0.16 0.08 -0.01 -0.03 0.01 29 1 -0.13 0.13 0.16 0.22 -0.15 -0.26 -0.01 0.03 0.04 30 1 0.08 -0.11 -0.12 -0.07 0.19 0.23 0.13 -0.03 0.06 31 1 0.00 0.01 0.02 0.05 -0.03 -0.04 0.02 0.04 0.01 32 1 0.09 0.01 -0.08 -0.20 0.07 0.20 -0.02 0.00 0.01 33 8 0.03 0.03 0.05 -0.08 -0.06 -0.13 -0.01 0.00 -0.01 34 8 -0.02 -0.04 0.04 0.17 -0.02 -0.12 0.01 0.01 -0.01 35 8 0.01 -0.03 -0.06 -0.01 0.04 0.08 0.01 -0.01 -0.02 36 1 0.01 -0.06 -0.07 -0.02 -0.03 -0.01 0.01 -0.02 -0.03 37 8 -0.01 0.04 0.02 0.01 -0.07 -0.05 0.01 0.00 -0.01 38 1 0.00 0.07 0.06 0.01 -0.08 -0.06 0.01 -0.01 0.00 39 6 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 -0.03 0.01 40 8 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 41 8 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 42 6 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 43 1 0.00 0.01 0.00 0.01 -0.02 0.00 0.00 0.01 0.00 44 1 0.00 0.00 0.01 0.00 0.00 -0.02 -0.01 0.03 -0.02 45 1 0.01 -0.02 0.02 -0.03 0.03 -0.03 0.00 0.00 0.00 46 6 0.11 -0.10 -0.05 -0.01 0.01 -0.07 0.00 0.00 0.00 47 6 0.04 0.07 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 48 6 0.06 0.06 -0.16 0.13 -0.02 -0.14 0.00 0.00 0.00 49 6 0.14 0.01 0.22 0.01 0.02 0.10 0.00 0.00 0.00 50 6 -0.11 0.11 0.01 -0.04 0.03 0.02 0.00 -0.01 0.00 51 1 0.27 -0.25 -0.12 0.02 -0.06 -0.13 -0.01 0.01 0.01 52 1 0.03 0.08 -0.16 0.27 -0.06 -0.08 0.00 0.00 0.00 53 1 0.24 0.00 0.32 -0.03 0.04 0.12 -0.02 0.01 0.00 54 1 0.03 0.15 -0.14 -0.02 0.07 0.03 0.01 0.00 -0.01 55 1 -0.03 0.06 0.04 0.03 0.13 0.00 0.01 0.01 0.00 56 8 -0.04 0.05 0.01 0.04 -0.03 0.03 0.00 0.00 0.00 57 8 -0.03 -0.04 0.01 -0.02 -0.04 0.02 0.00 0.00 0.00 58 1 -0.04 -0.06 0.00 -0.09 -0.19 0.01 0.00 0.00 0.00 59 8 -0.09 -0.01 0.05 -0.11 -0.01 0.06 0.00 0.00 0.00 60 1 0.33 -0.01 -0.10 0.22 -0.01 -0.05 0.00 0.00 0.00 61 8 -0.05 -0.07 -0.12 -0.01 -0.03 -0.04 0.00 0.00 0.00 62 1 0.02 0.03 0.22 0.00 0.00 0.05 0.00 0.00 0.00 63 6 -0.03 -0.03 0.02 -0.01 -0.02 0.01 0.00 0.00 -0.01 64 8 0.08 0.02 0.03 0.04 0.01 0.01 0.00 0.00 0.00 65 8 -0.06 0.00 -0.02 -0.02 0.00 -0.01 0.00 0.00 0.00 66 6 -0.06 -0.01 0.01 -0.03 0.00 0.01 0.00 0.00 0.00 67 1 0.09 0.03 -0.01 0.04 0.00 -0.02 0.01 0.00 0.00 68 1 -0.15 0.01 -0.04 -0.09 -0.01 -0.03 -0.01 0.00 0.00 69 1 0.07 0.02 -0.04 0.05 0.01 -0.02 0.01 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 116 117 A A A Frequencies -- 1161.0922 1163.2457 1169.2164 Red. masses -- 2.8831 3.0787 2.9970 Frc consts -- 2.2900 2.4545 2.4139 IR Inten -- 5.9515 81.0320 72.4618 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.07 -0.05 0.00 0.07 0.06 0.01 -0.03 -0.01 2 6 -0.05 -0.03 -0.01 0.08 0.02 0.02 0.03 -0.10 0.03 3 6 0.04 0.00 -0.08 -0.07 0.07 0.13 -0.05 0.21 0.14 4 6 0.06 -0.04 0.04 -0.05 0.02 -0.04 0.04 -0.07 0.02 5 6 -0.01 0.03 0.01 0.01 -0.03 0.00 -0.01 -0.01 0.03 6 1 0.03 -0.03 -0.12 -0.08 0.16 0.18 -0.12 0.36 0.16 7 1 0.11 -0.13 0.03 -0.07 -0.02 -0.08 0.17 -0.52 -0.15 8 1 0.02 0.05 0.18 -0.01 -0.04 -0.19 0.08 0.04 0.15 9 1 -0.12 -0.04 0.03 0.12 0.01 -0.05 -0.09 -0.17 -0.05 10 8 -0.02 0.04 0.04 0.01 -0.04 -0.06 -0.04 0.05 -0.01 11 8 0.04 0.02 -0.02 -0.08 -0.01 0.03 0.02 0.04 -0.03 12 8 -0.02 0.02 0.05 0.03 -0.04 -0.09 0.04 -0.06 -0.12 13 1 0.00 0.01 0.02 0.02 -0.04 -0.08 0.02 -0.05 -0.11 14 8 -0.04 0.00 -0.02 0.03 0.00 0.02 -0.02 0.00 0.00 15 1 0.01 -0.01 0.02 -0.04 0.02 -0.05 -0.11 -0.01 -0.10 16 6 0.03 -0.03 -0.03 -0.04 0.04 0.04 0.01 0.00 -0.01 17 8 -0.08 -0.02 0.02 0.08 0.02 -0.02 -0.02 -0.01 0.01 18 8 0.04 0.01 0.00 -0.04 -0.01 -0.01 0.01 0.00 0.00 19 6 0.03 0.08 0.02 -0.03 -0.09 -0.02 0.01 0.03 0.00 20 1 -0.11 -0.17 -0.05 0.16 0.21 0.06 -0.06 -0.06 -0.01 21 1 0.36 0.07 -0.05 -0.42 -0.08 0.05 0.12 0.02 -0.01 22 1 -0.21 -0.18 0.01 0.24 0.22 -0.01 -0.04 -0.06 0.01 23 6 -0.01 0.00 -0.01 -0.02 -0.03 -0.01 0.01 0.01 0.02 24 6 -0.03 -0.09 0.04 0.00 -0.06 0.01 -0.06 -0.05 0.06 25 6 0.00 0.12 0.10 0.00 0.08 0.06 0.01 0.04 0.02 26 6 -0.03 0.00 0.00 -0.03 -0.02 -0.02 -0.02 0.02 0.01 27 6 -0.01 0.02 0.00 0.08 -0.02 0.00 -0.01 -0.01 0.01 28 1 -0.01 -0.06 0.03 -0.02 -0.01 -0.02 0.02 0.03 0.02 29 1 -0.08 0.18 0.15 -0.07 0.15 0.11 -0.10 0.03 0.07 30 1 0.24 -0.11 -0.03 0.08 -0.07 -0.08 0.19 -0.04 0.04 31 1 0.03 0.03 -0.02 0.04 0.00 -0.01 -0.01 -0.01 0.01 32 1 -0.10 -0.16 0.09 -0.05 -0.13 0.05 -0.07 -0.06 0.07 33 8 -0.01 0.02 -0.01 0.00 0.02 0.00 -0.02 0.01 -0.03 34 8 0.02 0.00 -0.02 -0.01 -0.01 0.00 0.06 0.04 -0.04 35 8 0.02 -0.05 -0.07 0.01 -0.03 -0.04 0.01 -0.01 -0.02 36 1 0.02 -0.07 -0.09 0.01 -0.06 -0.07 0.00 -0.07 -0.08 37 8 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 38 1 0.03 0.16 0.13 0.01 0.10 0.10 0.02 0.09 0.08 39 6 0.00 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 40 8 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.00 0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 44 1 -0.01 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 45 1 0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 46 6 -0.08 0.04 -0.06 -0.08 0.03 -0.06 0.06 -0.02 0.05 47 6 -0.04 0.06 -0.02 -0.03 0.06 -0.02 0.03 -0.04 0.01 48 6 0.05 -0.08 0.01 0.05 -0.07 0.01 -0.04 0.04 0.00 49 6 -0.08 0.06 -0.02 -0.07 0.06 -0.01 0.04 -0.05 -0.01 50 6 0.09 0.01 0.00 0.09 0.03 0.00 -0.07 -0.05 0.01 51 1 -0.12 0.08 -0.02 -0.10 0.07 -0.02 0.06 -0.03 0.02 52 1 0.14 -0.10 0.05 0.13 -0.09 0.04 -0.09 0.06 -0.01 53 1 -0.28 0.18 0.03 -0.24 0.16 0.03 0.12 -0.10 -0.04 54 1 0.15 0.04 -0.05 0.13 0.05 -0.04 -0.07 -0.05 0.01 55 1 0.06 0.12 -0.05 0.05 0.10 -0.05 -0.04 -0.06 0.04 56 8 0.05 -0.05 0.03 0.05 -0.04 0.03 -0.04 0.03 -0.02 57 8 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 0.01 -0.01 58 1 -0.05 -0.10 0.01 -0.04 -0.09 0.01 0.04 0.07 0.00 59 8 -0.01 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 60 1 -0.05 -0.01 0.03 -0.04 0.00 0.02 0.01 0.00 -0.01 61 8 0.01 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 62 1 0.01 0.01 0.04 0.01 0.01 0.04 0.00 -0.01 -0.03 63 6 0.00 -0.01 -0.01 0.00 -0.01 -0.02 0.00 0.01 0.01 64 8 0.01 0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 65 8 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 66 6 -0.01 0.00 0.02 -0.01 0.00 0.02 0.01 0.01 -0.03 67 1 0.03 -0.01 -0.04 0.05 -0.01 -0.04 -0.11 -0.01 0.02 68 1 -0.09 -0.03 -0.04 -0.11 -0.02 -0.04 0.14 0.00 0.06 69 1 0.09 0.02 -0.01 0.09 0.02 -0.02 -0.07 -0.04 0.04 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 119 120 A A A Frequencies -- 1171.8683 1174.2194 1180.4230 Red. masses -- 2.9968 1.3560 1.2723 Frc consts -- 2.4247 1.1015 1.0445 IR Inten -- 33.4572 20.4648 1.3035 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.08 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 3 6 0.02 -0.10 -0.07 0.00 -0.01 -0.01 0.00 0.00 0.00 4 6 -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.07 -0.18 -0.08 0.01 -0.01 -0.01 0.00 -0.01 0.00 7 1 -0.10 0.29 0.09 0.00 0.02 0.01 0.00 0.01 0.00 8 1 -0.06 -0.02 -0.13 -0.01 0.00 -0.01 0.00 0.00 -0.01 9 1 0.09 0.12 0.03 0.01 0.01 0.00 0.00 0.00 0.00 10 8 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 11 8 -0.06 -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 12 8 -0.02 0.03 0.06 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.01 0.04 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.07 0.01 0.06 0.01 0.00 0.01 0.00 0.00 0.00 16 6 -0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17 8 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 18 8 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 6 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.11 0.09 0.01 0.01 0.01 0.00 -0.04 -0.02 0.01 21 1 -0.15 -0.02 0.00 -0.01 0.00 0.00 0.02 0.00 0.01 22 1 0.04 0.07 -0.01 0.00 0.01 0.00 0.02 -0.01 0.01 23 6 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 6 -0.07 -0.12 0.10 -0.01 -0.02 0.02 0.00 0.00 0.00 25 6 0.00 0.13 0.08 0.00 0.02 0.01 0.00 0.00 0.00 26 6 -0.05 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 27 6 0.06 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 28 1 0.01 -0.06 0.05 0.00 -0.01 0.01 0.00 0.00 0.00 29 1 -0.09 0.19 0.14 -0.02 0.03 0.02 0.00 0.00 0.00 30 1 0.23 -0.10 -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 31 1 0.12 0.06 -0.10 0.02 0.01 -0.02 0.00 0.00 0.00 32 1 -0.11 -0.21 0.16 -0.02 -0.04 0.03 0.00 0.00 0.00 33 8 -0.03 0.03 -0.04 -0.01 0.00 -0.01 0.00 0.00 0.00 34 8 0.09 0.06 -0.06 0.02 0.02 -0.02 0.00 0.00 0.00 35 8 0.02 -0.04 -0.06 0.00 -0.01 -0.01 0.00 0.00 0.00 36 1 0.02 -0.10 -0.12 0.00 -0.02 -0.02 0.00 0.00 0.00 37 8 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 38 1 0.03 0.16 0.16 0.01 0.03 0.03 0.00 0.00 0.00 39 6 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 -0.01 0.01 0.00 0.00 0.00 0.00 -0.05 -0.03 0.02 41 8 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.05 -0.05 43 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.28 -0.32 44 1 0.00 0.01 0.00 0.00 0.00 0.00 0.22 -0.46 0.47 45 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.06 0.09 46 6 0.06 -0.02 0.06 0.01 0.01 0.03 0.00 0.00 0.00 47 6 0.03 -0.04 0.01 0.00 -0.02 0.01 0.00 0.00 0.00 48 6 -0.05 0.04 0.01 -0.02 0.01 0.01 0.00 0.00 0.00 49 6 0.04 -0.05 -0.03 0.02 -0.02 -0.02 0.00 0.00 0.00 50 6 -0.07 -0.07 0.01 -0.03 -0.03 0.01 0.00 0.00 0.00 51 1 0.06 -0.04 0.03 0.00 0.03 0.05 0.00 0.00 0.00 52 1 -0.10 0.06 0.00 -0.05 0.02 -0.02 0.00 0.00 0.00 53 1 0.09 -0.08 -0.04 0.04 -0.04 -0.04 0.00 0.00 0.00 54 1 -0.06 -0.07 -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 55 1 -0.03 -0.06 0.05 -0.02 -0.04 0.02 0.00 0.00 0.00 56 8 -0.04 0.03 -0.02 -0.01 0.01 -0.01 0.00 0.00 0.00 57 8 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 58 1 0.04 0.08 0.00 0.01 0.02 0.00 0.00 0.00 0.00 59 8 0.02 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 60 1 0.00 0.00 -0.01 -0.03 0.00 0.01 0.00 0.00 0.00 61 8 0.00 0.02 0.02 0.00 0.01 0.01 0.00 0.00 0.00 62 1 0.00 0.00 -0.01 -0.01 -0.01 -0.04 0.00 0.00 0.00 63 6 0.00 0.01 0.02 0.00 0.00 -0.03 0.00 0.00 0.00 64 8 -0.01 -0.02 0.01 0.00 0.04 -0.03 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 66 6 0.02 0.03 -0.05 -0.01 -0.11 0.07 0.00 0.00 0.00 67 1 -0.30 -0.04 0.01 0.71 0.16 0.10 0.00 0.00 0.00 68 1 0.29 -0.04 0.11 -0.46 0.18 -0.16 0.00 0.00 0.00 69 1 -0.06 -0.08 0.11 -0.15 0.17 -0.25 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 122 123 A A A Frequencies -- 1181.2648 1197.2963 1203.8376 Red. masses -- 1.2944 1.3911 1.6189 Frc consts -- 1.0642 1.1749 1.3823 IR Inten -- 6.6726 22.4523 44.3561 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 -0.08 -0.09 2 6 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 3 6 0.01 0.01 -0.02 0.00 0.00 0.00 0.02 0.03 -0.06 4 6 0.02 -0.01 0.02 0.00 0.00 0.00 0.03 -0.01 0.07 5 6 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.03 6 1 0.01 0.00 -0.03 0.00 0.00 0.00 0.09 -0.08 -0.07 7 1 0.06 -0.08 0.00 0.00 0.00 0.00 0.20 -0.21 0.09 8 1 0.01 0.02 0.07 0.00 0.00 0.00 0.08 0.05 0.28 9 1 -0.03 -0.01 0.02 0.00 0.00 0.00 -0.06 -0.01 0.05 10 8 -0.01 0.01 0.01 0.00 0.00 0.00 -0.01 0.02 0.02 11 8 0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.01 12 8 0.00 0.00 0.01 0.00 0.00 0.00 -0.02 0.01 0.03 13 1 0.01 -0.02 -0.02 0.00 0.00 0.00 0.06 -0.07 -0.08 14 8 -0.01 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 -0.02 15 1 0.01 -0.01 0.01 0.00 0.00 0.00 0.10 -0.02 0.10 16 6 0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 0.04 0.06 17 8 -0.03 0.03 -0.04 0.00 0.00 0.00 -0.03 0.04 0.04 18 8 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 19 6 0.03 -0.07 0.11 0.00 0.00 0.00 0.04 -0.07 -0.09 20 1 0.68 0.26 -0.17 0.00 0.00 0.00 -0.08 0.20 0.20 21 1 -0.33 0.00 -0.23 0.00 0.00 0.00 -0.46 -0.10 0.21 22 1 -0.47 0.08 -0.11 0.00 0.00 0.00 0.53 0.28 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 26 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 6 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 29 1 0.00 -0.02 -0.01 -0.02 -0.01 0.00 0.01 -0.02 -0.01 30 1 0.00 0.00 0.00 0.01 0.00 0.01 0.02 0.00 0.00 31 1 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 32 1 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 35 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 1 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.01 0.02 37 8 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 0.02 0.01 39 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 44 1 0.01 -0.03 0.03 0.00 0.00 0.00 0.00 0.00 0.01 45 1 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46 6 0.00 0.00 0.00 0.01 0.02 0.04 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 48 6 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.02 -0.02 -0.01 0.00 0.00 0.00 50 6 0.00 0.00 0.00 -0.03 -0.02 0.01 0.00 0.00 0.00 51 1 0.00 0.00 0.00 -0.04 0.13 0.15 0.00 0.00 0.00 52 1 0.00 0.00 0.00 -0.03 0.02 -0.02 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.06 -0.04 -0.01 0.00 0.00 0.00 54 1 0.00 0.00 0.00 -0.09 -0.07 0.04 0.00 0.00 0.00 55 1 0.00 0.00 0.00 -0.03 -0.03 0.03 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 62 1 0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 -0.04 -0.09 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.04 -0.02 -0.01 0.00 0.00 0.00 65 8 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 -0.04 0.08 0.09 0.00 0.00 0.00 67 1 0.00 0.00 0.00 -0.11 -0.15 -0.29 0.00 0.00 0.00 68 1 0.00 0.00 0.00 -0.37 -0.26 -0.17 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.73 0.03 0.06 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 125 126 A A A Frequencies -- 1215.7470 1234.4970 1236.4506 Red. masses -- 1.4521 1.2910 1.3118 Frc consts -- 1.2645 1.1592 1.1816 IR Inten -- 5.4462 17.3881 4.8447 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.04 0.03 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.05 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.04 -0.01 4 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.02 -0.01 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.02 -0.02 6 1 -0.02 0.01 -0.01 -0.01 0.00 -0.01 0.44 -0.23 0.26 7 1 -0.01 0.00 -0.01 0.00 0.00 0.00 0.26 -0.02 0.26 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.04 0.02 9 1 0.01 0.00 0.00 0.00 0.00 0.00 -0.12 -0.12 -0.01 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 11 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.03 -0.02 12 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.00 13 1 -0.01 0.01 0.01 -0.01 0.01 0.01 0.18 -0.21 -0.28 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 15 1 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.41 -0.01 0.37 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.02 18 8 0.00 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 -0.02 0.01 0.01 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.04 -0.04 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.02 -0.04 22 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.05 0.01 23 6 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 24 6 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 25 6 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 26 6 0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 27 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 28 1 0.05 -0.06 0.10 0.00 -0.01 0.00 0.00 0.07 -0.04 29 1 -0.01 -0.01 0.00 -0.11 -0.01 0.05 0.00 0.02 0.01 30 1 0.00 0.01 0.02 0.03 0.01 0.06 -0.01 0.00 0.00 31 1 0.01 0.01 -0.02 0.02 0.03 -0.04 0.01 -0.03 0.04 32 1 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 35 8 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 36 1 0.00 -0.01 -0.01 0.00 -0.07 -0.09 0.00 -0.01 -0.01 37 8 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 38 1 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.01 39 6 -0.02 0.03 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 40 8 0.01 0.06 0.08 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 43 1 -0.10 0.48 -0.05 0.00 0.00 0.00 -0.01 0.02 0.00 44 1 -0.23 0.35 0.11 0.00 0.00 0.00 -0.01 0.01 0.00 45 1 0.36 -0.43 0.44 0.00 0.00 0.00 0.01 -0.01 0.01 46 6 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.01 -0.08 0.04 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.01 0.04 -0.02 0.00 0.00 0.00 49 6 0.00 0.00 0.00 -0.06 -0.02 -0.02 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.03 -0.02 -0.04 0.00 0.00 0.00 51 1 0.00 0.00 0.00 -0.16 0.16 0.09 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.37 0.01 0.37 0.01 0.00 0.01 53 1 0.00 0.00 0.00 0.11 0.05 0.33 0.00 0.00 0.01 54 1 0.00 0.00 0.00 -0.04 0.09 0.21 0.00 0.00 0.00 55 1 0.00 0.00 0.00 -0.08 -0.31 -0.12 0.00 -0.01 0.00 56 8 0.00 0.00 0.00 -0.02 0.01 -0.01 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.01 0.05 -0.01 0.00 0.00 0.00 58 1 0.00 0.00 0.00 -0.09 -0.18 -0.03 0.00 0.00 0.00 59 8 0.00 0.00 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.29 0.00 -0.12 0.01 0.00 0.00 61 8 0.00 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.08 0.13 0.38 0.00 0.00 0.01 63 6 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.02 0.01 0.01 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 69 1 0.00 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 128 129 A A A Frequencies -- 1246.4526 1271.1696 1280.4974 Red. masses -- 1.2049 1.2178 2.2208 Frc consts -- 1.1029 1.1594 2.1454 IR Inten -- 40.4700 50.3812 251.5378 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 4 6 0.01 0.00 0.00 0.00 0.00 0.00 -0.07 -0.01 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 6 1 0.00 0.02 0.02 0.00 0.00 0.00 -0.17 -0.09 -0.31 7 1 -0.02 0.00 -0.02 0.00 0.00 0.00 0.15 -0.07 0.14 8 1 0.00 0.00 -0.01 0.00 0.00 0.01 -0.02 -0.02 -0.04 9 1 0.01 0.00 0.00 0.00 0.00 0.00 0.04 -0.02 -0.08 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 0.01 13 1 0.01 -0.02 -0.02 0.00 0.00 0.00 -0.16 0.20 0.25 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 15 1 -0.03 0.00 -0.02 0.00 0.00 0.00 0.23 -0.02 0.20 16 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 18 8 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 -0.01 0.00 0.01 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.02 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.01 -0.02 22 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 23 6 0.02 0.03 0.02 0.00 0.00 0.00 0.05 -0.05 0.02 24 6 0.02 -0.02 0.03 0.00 0.00 0.01 0.00 0.01 -0.02 25 6 -0.02 0.02 0.04 -0.01 0.01 0.00 0.03 -0.02 0.01 26 6 0.01 -0.02 -0.06 0.01 -0.01 0.00 -0.03 0.03 -0.01 27 6 -0.01 -0.02 0.02 0.00 0.00 0.00 0.01 0.00 0.00 28 1 0.01 0.06 -0.01 0.00 0.00 0.00 0.17 -0.24 0.29 29 1 0.56 0.03 -0.22 0.01 0.04 0.00 0.04 -0.19 -0.06 30 1 -0.04 -0.10 -0.35 -0.08 0.03 0.01 0.27 -0.06 0.02 31 1 -0.09 -0.12 0.18 -0.02 -0.01 0.02 -0.07 0.06 -0.08 32 1 -0.01 -0.04 0.04 0.02 0.02 -0.01 -0.03 -0.04 0.02 33 8 -0.02 0.00 -0.02 0.00 0.00 0.00 -0.01 0.00 -0.02 34 8 0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 35 8 -0.03 -0.03 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 36 1 0.03 0.37 0.47 0.00 -0.02 -0.02 0.00 0.09 0.11 37 8 -0.01 0.02 0.01 0.00 0.00 0.00 -0.01 -0.02 -0.01 38 1 0.01 0.11 0.10 -0.01 -0.06 -0.05 0.02 0.19 0.16 39 6 0.01 -0.01 0.00 0.00 0.00 0.00 -0.12 0.24 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.10 -0.02 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 0.01 42 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.03 -0.02 43 1 -0.01 0.02 0.00 0.00 0.00 0.00 0.08 -0.13 0.02 44 1 -0.01 0.02 0.00 0.00 0.00 0.00 0.04 -0.13 0.02 45 1 0.01 -0.01 0.01 0.00 0.00 0.00 0.06 -0.04 0.07 46 6 0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 47 6 0.00 -0.01 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 48 6 0.00 0.01 0.00 0.03 -0.04 0.02 0.01 0.00 0.00 49 6 0.00 0.00 0.00 0.02 0.04 -0.02 0.00 0.02 0.02 50 6 0.00 -0.01 -0.01 -0.02 0.03 0.06 0.01 0.00 -0.01 51 1 -0.03 0.02 0.01 0.23 -0.23 -0.09 0.02 0.01 0.04 52 1 0.06 0.00 0.07 -0.08 0.15 0.54 -0.01 0.02 0.05 53 1 0.03 0.02 0.08 -0.24 0.06 -0.25 0.04 -0.02 -0.03 54 1 -0.05 -0.03 0.05 0.14 -0.10 -0.36 -0.05 -0.03 0.05 55 1 -0.02 -0.06 -0.03 -0.15 -0.09 0.08 -0.02 -0.01 0.01 56 8 0.00 0.00 0.00 0.01 0.02 0.00 0.00 0.00 0.00 57 8 0.00 0.01 0.00 0.01 0.03 -0.01 0.00 0.00 0.00 58 1 -0.02 -0.04 -0.01 -0.01 -0.04 0.00 -0.01 -0.01 0.00 59 8 0.00 0.00 0.00 -0.02 0.01 -0.02 -0.01 0.00 0.00 60 1 0.06 0.00 -0.03 0.39 0.00 -0.16 0.07 0.00 -0.03 61 8 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 62 1 0.00 0.01 0.04 -0.03 -0.03 -0.12 -0.02 -0.04 -0.09 63 6 0.00 0.00 0.00 0.00 -0.01 0.02 0.00 0.00 -0.01 64 8 0.00 0.00 0.00 -0.01 -0.01 -0.02 0.00 0.00 0.01 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 -0.02 -0.03 0.00 0.01 0.01 68 1 -0.01 0.00 0.00 -0.05 -0.02 -0.03 0.02 0.01 0.01 69 1 0.01 0.00 0.00 0.04 0.01 0.00 -0.01 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 131 132 A A A Frequencies -- 1281.3699 1285.1091 1289.8298 Red. masses -- 1.5297 1.2905 1.4012 Frc consts -- 1.4798 1.2557 1.3734 IR Inten -- 32.9302 55.7015 69.2472 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 0.00 0.00 0.02 -0.03 0.00 -0.01 0.01 0.00 2 6 0.01 0.00 -0.01 -0.06 -0.01 0.00 0.01 0.00 0.00 3 6 0.00 0.02 0.00 0.00 -0.04 0.01 0.00 0.00 0.00 4 6 -0.03 -0.02 -0.01 0.05 0.04 -0.01 0.00 0.00 0.00 5 6 0.01 0.01 0.00 -0.02 0.01 0.01 0.00 0.00 0.00 6 1 -0.08 -0.04 -0.16 0.29 0.04 0.43 -0.03 0.00 -0.03 7 1 0.08 -0.02 0.09 -0.19 0.07 -0.19 0.01 0.00 0.02 8 1 -0.02 -0.01 -0.03 -0.06 -0.01 -0.19 0.02 0.01 0.05 9 1 0.06 0.01 -0.07 -0.11 0.03 0.21 0.01 0.00 -0.03 10 8 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 0.00 11 8 -0.01 0.00 0.01 0.01 0.02 -0.01 0.00 0.00 0.00 12 8 0.01 -0.01 0.00 -0.02 0.02 -0.01 0.00 0.00 0.00 13 1 -0.09 0.11 0.14 0.19 -0.23 -0.29 -0.01 0.01 0.02 14 8 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 15 1 0.12 -0.01 0.11 -0.22 0.02 -0.19 0.01 0.00 0.01 16 6 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 17 8 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 18 8 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 0.01 0.00 0.00 0.00 0.00 0.00 20 1 0.01 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 21 1 0.03 0.00 -0.01 -0.03 0.00 0.01 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.02 0.01 0.00 0.00 0.00 0.00 23 6 -0.04 0.02 -0.03 0.00 -0.02 0.00 0.00 0.01 0.00 24 6 -0.03 0.03 -0.03 -0.01 0.02 -0.02 0.01 0.01 -0.01 25 6 0.04 -0.04 -0.02 0.03 -0.02 -0.01 0.00 0.01 0.01 26 6 -0.03 0.03 0.02 -0.03 0.02 0.01 0.01 -0.01 0.00 27 6 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 28 1 -0.07 0.10 -0.12 0.06 -0.05 0.07 -0.02 0.04 -0.04 29 1 -0.08 -0.36 -0.08 -0.04 -0.21 -0.04 -0.05 0.10 0.07 30 1 0.48 -0.20 -0.15 0.28 -0.09 -0.02 -0.11 0.04 0.03 31 1 0.13 0.04 -0.07 0.07 0.04 -0.06 -0.01 0.00 0.00 32 1 -0.02 0.11 -0.08 -0.02 0.01 -0.01 -0.12 -0.11 0.08 33 8 0.03 0.00 0.03 0.00 0.00 0.00 0.00 -0.01 0.00 34 8 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.02 -0.01 35 8 -0.01 0.01 0.02 0.00 0.00 0.01 0.00 0.00 -0.01 36 1 0.00 0.06 0.08 0.00 0.04 0.05 0.00 -0.02 -0.01 37 8 -0.02 -0.01 -0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 38 1 0.04 0.40 0.34 0.02 0.20 0.17 -0.01 -0.07 -0.06 39 6 0.06 -0.13 0.00 -0.03 0.06 0.00 0.01 -0.03 0.00 40 8 -0.02 0.05 0.01 0.01 -0.02 0.00 0.00 0.01 0.00 41 8 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 42 6 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 43 1 -0.04 0.06 -0.01 0.02 -0.03 0.00 -0.01 0.02 0.00 44 1 -0.02 0.06 -0.01 0.01 -0.03 0.00 -0.01 0.02 0.00 45 1 -0.03 0.02 -0.04 0.01 -0.01 0.02 -0.01 0.00 -0.01 46 6 -0.01 0.00 0.00 -0.01 0.00 -0.01 -0.03 0.01 -0.03 47 6 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.04 0.00 -0.01 48 6 0.01 0.00 0.00 0.01 0.00 0.00 0.04 -0.01 0.01 49 6 0.00 0.01 0.01 0.00 0.02 0.01 0.03 0.05 0.08 50 6 0.00 0.00 0.00 0.01 0.00 -0.01 0.04 -0.05 -0.07 51 1 0.04 -0.03 0.00 0.02 0.00 0.04 0.01 0.14 0.24 52 1 -0.02 0.02 0.06 -0.03 0.03 0.05 -0.23 0.14 0.14 53 1 0.01 -0.02 -0.06 0.03 -0.02 -0.04 0.09 -0.04 -0.07 54 1 0.02 0.01 -0.01 -0.03 -0.01 0.05 -0.32 -0.06 0.46 55 1 -0.02 0.01 0.03 -0.02 0.01 0.02 -0.12 0.06 0.13 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 0.01 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 58 1 0.01 0.02 0.00 0.01 0.02 0.00 0.07 0.17 -0.01 59 8 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 0.00 -0.01 60 1 0.06 0.00 -0.03 0.07 0.00 -0.03 0.32 0.00 -0.13 61 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 0.01 62 1 -0.02 -0.02 -0.06 -0.02 -0.03 -0.08 -0.09 -0.14 -0.37 63 6 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.05 64 8 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.04 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.02 67 1 0.00 0.00 0.00 0.00 0.01 0.01 0.02 0.04 0.05 68 1 -0.01 0.00 0.00 0.02 0.01 0.01 0.10 0.04 0.06 69 1 0.00 0.00 0.00 -0.01 0.00 0.00 -0.05 -0.02 0.00 70 19 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 -- 1302.0685 1304.0849 1309.8571 Red. masses -- 1.2909 1.4599 1.6456 Frc consts -- 1.2894 1.4628 1.6635 IR Inten -- 141.0223 43.5495 142.2340 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 -0.03 0.02 -0.02 -0.08 0.09 -0.03 2 6 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.03 0.04 3 6 0.00 0.00 0.00 -0.01 -0.03 0.04 0.02 -0.03 -0.01 4 6 0.00 0.00 0.00 0.02 -0.15 -0.05 0.07 0.04 0.05 5 6 0.00 0.00 0.00 0.03 0.04 0.01 0.00 -0.06 -0.06 6 1 0.00 0.00 0.00 -0.14 0.34 0.24 -0.01 -0.02 -0.03 7 1 0.00 -0.01 0.00 -0.13 0.64 0.35 0.00 -0.04 -0.06 8 1 -0.01 0.00 -0.02 0.06 0.05 0.30 0.26 0.07 0.64 9 1 0.00 0.00 0.01 -0.06 -0.09 -0.22 0.06 -0.08 -0.46 10 8 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 -0.02 -0.01 11 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 12 8 0.00 0.00 0.00 0.01 0.01 -0.03 -0.02 0.01 0.01 13 1 0.00 0.00 0.00 0.03 -0.04 -0.06 0.11 -0.13 -0.17 14 8 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.02 -0.01 0.01 15 1 0.00 0.00 0.00 0.12 0.01 0.12 -0.23 0.01 -0.19 16 6 0.00 0.00 0.00 0.02 -0.04 -0.04 -0.03 0.05 0.07 17 8 0.00 0.00 0.00 -0.04 0.02 0.03 0.05 -0.04 -0.04 18 8 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 19 6 0.00 0.00 0.00 0.03 -0.01 -0.01 -0.04 0.01 0.02 20 1 0.00 0.00 0.00 -0.03 0.03 0.05 0.04 -0.04 -0.07 21 1 0.00 0.00 0.00 -0.12 -0.01 0.04 0.18 0.02 -0.06 22 1 0.00 0.00 0.00 0.00 0.02 -0.02 -0.04 -0.03 0.03 23 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 24 6 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 25 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 26 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 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 1 0.01 -0.01 0.02 0.01 -0.03 0.03 0.03 -0.03 0.04 29 1 0.04 -0.01 -0.02 0.00 -0.03 -0.01 0.00 -0.09 -0.03 30 1 0.02 -0.01 -0.02 0.04 -0.01 0.00 0.09 -0.04 -0.01 31 1 0.00 -0.01 0.01 0.00 0.01 -0.01 0.13 0.00 -0.03 32 1 0.04 0.03 -0.02 0.00 0.00 0.00 0.01 0.01 -0.01 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 1 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.02 0.02 37 8 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 0.03 0.02 0.01 0.05 0.05 39 6 0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 40 8 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 -0.01 0.00 0.01 -0.01 0.00 44 1 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 45 1 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 46 6 -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47 6 -0.03 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 48 6 -0.02 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.01 51 1 0.22 -0.14 0.04 0.01 -0.01 0.00 0.01 0.00 0.01 52 1 -0.04 0.06 0.04 0.01 0.00 0.00 0.01 0.00 0.00 53 1 0.01 0.03 0.24 0.01 0.00 0.00 0.01 0.00 0.00 54 1 0.01 0.04 0.05 0.00 0.00 0.00 0.01 -0.01 -0.02 55 1 -0.19 0.24 0.42 0.00 0.00 0.01 0.00 0.00 0.01 56 8 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.27 0.58 0.00 0.00 0.01 0.00 0.00 0.00 0.00 59 8 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.08 0.13 0.35 0.00 0.00 0.00 0.00 0.00 0.01 63 6 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 64 8 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 68 1 -0.04 -0.02 -0.02 0.00 0.00 0.00 0.01 0.00 0.00 69 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 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 -- 1317.7872 1326.2654 1327.7168 Red. masses -- 1.3657 1.3814 2.2923 Frc consts -- 1.3973 1.4317 2.3809 IR Inten -- 18.9041 27.3074 243.0251 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 2 6 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 3 6 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 -0.01 0.00 0.01 0.02 0.01 0.01 -0.02 -0.01 7 1 0.00 -0.01 -0.01 0.01 -0.03 0.00 -0.01 0.00 -0.01 8 1 0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 0.00 0.03 9 1 -0.01 0.00 0.00 0.07 0.03 0.01 -0.03 -0.02 -0.03 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 -0.01 0.02 0.01 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 -0.01 0.00 -0.01 0.02 0.00 0.02 -0.02 0.00 -0.02 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 6 0.00 -0.01 0.01 -0.03 0.10 -0.07 0.01 -0.03 0.01 24 6 0.01 0.02 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 25 6 0.01 0.00 0.01 -0.02 0.01 -0.02 0.01 0.00 0.01 26 6 0.00 0.00 -0.01 0.01 -0.04 0.02 -0.01 0.01 -0.01 27 6 0.00 0.00 0.01 0.00 0.00 -0.07 0.00 0.00 0.02 28 1 -0.05 0.05 -0.09 0.10 -0.49 0.52 -0.03 0.09 -0.12 29 1 -0.05 0.05 0.06 -0.02 -0.03 -0.03 -0.01 0.02 0.02 30 1 -0.04 0.04 0.05 0.02 -0.09 -0.09 -0.01 0.03 0.05 31 1 -0.04 0.06 -0.08 0.28 -0.34 0.39 -0.08 0.10 -0.12 32 1 -0.12 -0.14 0.10 0.00 0.08 -0.05 -0.05 -0.03 0.02 33 8 0.00 0.00 0.00 0.01 -0.02 0.00 0.00 0.01 0.00 34 8 -0.01 0.01 -0.01 0.00 0.01 0.00 0.01 0.00 0.01 35 8 0.00 0.00 -0.01 0.01 0.01 0.01 0.00 0.00 -0.01 36 1 0.00 0.03 0.04 -0.01 -0.08 -0.10 0.00 0.02 0.04 37 8 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 38 1 0.00 -0.01 -0.01 0.00 -0.04 -0.03 0.00 0.01 0.01 39 6 0.01 0.00 0.00 -0.02 -0.03 0.01 0.00 0.01 0.00 40 8 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.01 0.01 0.02 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 43 1 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 44 1 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 45 1 0.00 0.00 0.00 -0.03 0.02 -0.02 0.01 0.00 0.01 46 6 -0.02 0.00 0.01 0.00 0.00 0.01 0.03 0.03 0.04 47 6 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 48 6 -0.02 0.04 -0.02 0.00 0.00 0.00 0.03 -0.01 0.01 49 6 -0.09 0.10 0.01 -0.01 0.03 0.01 0.03 0.00 0.05 50 6 0.05 -0.03 0.02 0.01 -0.02 -0.02 0.01 -0.04 -0.13 51 1 0.22 -0.23 -0.08 -0.01 -0.03 -0.08 -0.08 -0.16 -0.40 52 1 0.43 -0.15 -0.06 0.04 -0.01 -0.01 -0.23 0.08 -0.01 53 1 0.56 -0.26 -0.07 0.11 -0.05 -0.02 -0.12 0.06 0.03 54 1 -0.06 -0.31 -0.17 -0.01 0.01 0.05 0.01 0.38 0.41 55 1 -0.01 0.03 0.06 0.00 0.02 0.01 0.09 0.04 -0.07 56 8 0.00 0.01 -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.01 0.03 -0.01 0.00 0.01 0.00 -0.01 -0.02 0.00 59 8 0.00 -0.02 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 60 1 -0.01 0.01 0.01 0.03 0.00 -0.01 0.10 -0.01 -0.04 61 8 0.00 -0.02 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 62 1 -0.03 -0.06 -0.16 -0.01 -0.03 -0.07 -0.01 -0.04 -0.08 63 6 0.00 0.01 0.05 0.00 0.02 0.03 0.01 0.09 0.19 64 8 -0.02 -0.01 -0.03 -0.01 -0.01 -0.02 -0.06 -0.07 -0.13 65 8 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 66 6 0.01 0.01 0.02 0.01 0.00 0.01 0.06 0.03 0.06 67 1 -0.02 -0.03 -0.04 -0.02 -0.02 -0.03 -0.09 -0.13 -0.15 68 1 -0.08 -0.03 -0.04 -0.06 -0.02 -0.03 -0.31 -0.11 -0.18 69 1 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 0.09 -0.03 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 140 141 A A A Frequencies -- 1334.8518 1335.8579 1353.2365 Red. masses -- 1.5082 1.3239 1.7179 Frc consts -- 1.5834 1.3920 1.8535 IR Inten -- 7.7828 14.7486 132.5859 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.03 2 6 0.01 0.01 0.00 0.00 0.01 0.00 -0.05 0.00 -0.08 3 6 -0.01 -0.01 0.00 0.00 0.00 0.00 0.02 -0.01 -0.01 4 6 0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.05 0.02 5 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.04 6 1 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.14 0.42 0.22 7 1 -0.02 0.03 0.00 -0.01 0.02 0.00 0.05 0.05 0.15 8 1 0.00 0.00 0.01 0.00 0.00 0.00 0.02 0.05 0.18 9 1 -0.06 -0.02 -0.03 -0.02 -0.01 -0.02 0.00 0.21 0.67 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.04 0.01 11 8 0.01 -0.02 0.01 0.00 -0.01 0.01 0.01 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 13 1 -0.02 0.03 0.04 -0.01 0.02 0.02 -0.03 0.04 0.05 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 15 1 -0.02 0.00 -0.02 -0.01 0.00 -0.01 0.11 -0.01 0.10 16 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.10 0.11 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.05 -0.05 18 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 19 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.01 0.02 20 1 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.02 -0.10 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.02 -0.09 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.01 0.05 23 6 0.01 -0.07 0.09 0.00 -0.03 0.04 0.00 0.01 0.00 24 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 25 6 -0.03 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.00 26 6 0.03 -0.02 0.07 0.02 -0.01 0.04 0.01 0.00 0.01 27 6 -0.03 0.08 -0.09 -0.02 0.04 -0.05 0.01 0.00 0.00 28 1 0.15 0.42 -0.16 0.10 0.21 -0.05 -0.02 -0.02 0.00 29 1 -0.10 0.06 0.04 -0.09 0.03 0.04 -0.01 0.04 0.01 30 1 0.06 -0.16 -0.31 0.04 -0.09 -0.17 -0.04 -0.01 -0.08 31 1 -0.05 -0.25 0.41 0.02 -0.16 0.25 -0.13 0.01 -0.01 32 1 0.05 0.02 -0.02 -0.04 -0.04 0.03 0.01 0.00 0.00 33 8 0.00 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 0.00 34 8 0.00 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 35 8 0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.00 36 1 -0.01 -0.12 -0.15 0.00 -0.07 -0.08 0.00 -0.03 -0.03 37 8 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 38 1 0.01 0.06 0.05 0.00 0.04 0.03 0.00 -0.01 0.02 39 6 0.00 0.04 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 40 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44 1 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 45 1 0.02 -0.02 0.02 0.01 -0.01 0.01 0.00 0.00 0.00 46 6 0.05 0.01 0.02 -0.08 -0.01 -0.03 0.00 0.00 0.00 47 6 -0.02 0.00 -0.01 0.03 0.00 0.01 0.00 0.00 0.00 48 6 0.00 0.01 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 49 6 -0.02 0.03 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 50 6 -0.02 -0.02 -0.01 0.03 0.01 0.01 0.00 0.00 0.00 51 1 -0.32 0.13 -0.21 0.54 -0.23 0.35 0.00 -0.01 -0.01 52 1 0.05 0.00 0.04 -0.05 -0.01 -0.08 0.00 0.00 0.00 53 1 0.15 -0.08 -0.06 -0.17 0.08 0.05 0.00 0.00 0.00 54 1 0.14 0.10 -0.10 -0.21 -0.14 0.19 0.00 0.01 0.01 55 1 -0.11 0.06 0.14 0.19 -0.09 -0.24 0.00 0.00 0.00 56 8 0.00 -0.03 0.01 -0.01 0.04 -0.02 0.00 0.00 0.00 57 8 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 0.00 0.00 58 1 0.04 0.10 -0.01 -0.07 -0.17 0.01 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.04 0.01 -0.02 -0.06 -0.01 0.02 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 -0.02 -0.03 -0.07 0.02 0.02 0.07 0.00 0.00 0.00 63 6 0.00 0.00 -0.01 0.00 0.01 0.03 0.00 0.00 0.00 64 8 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 65 8 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 67 1 0.01 0.01 0.01 -0.02 -0.02 -0.03 0.00 0.00 0.00 68 1 0.01 0.00 0.00 -0.03 -0.01 -0.02 0.00 0.00 0.00 69 1 0.00 -0.01 0.01 0.00 0.02 -0.02 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 143 144 A A A Frequencies -- 1360.0547 1370.4387 1381.2370 Red. masses -- 1.2235 1.3229 2.0834 Frc consts -- 1.3334 1.4638 2.3418 IR Inten -- 13.7923 30.9212 74.0010 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.01 0.00 -0.01 0.02 0.01 -0.07 0.16 0.05 2 6 -0.04 0.00 -0.03 0.00 0.00 0.00 -0.04 -0.01 -0.06 3 6 0.01 0.01 -0.01 0.00 0.00 0.00 0.03 -0.01 -0.01 4 6 -0.02 0.00 0.01 0.00 0.00 0.00 -0.03 0.06 0.01 5 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.06 -0.04 6 1 -0.03 0.16 0.08 0.00 -0.01 -0.01 -0.08 0.20 0.04 7 1 0.08 -0.09 0.03 0.02 -0.01 0.01 0.33 -0.25 0.11 8 1 0.00 0.00 0.01 0.02 0.00 0.03 0.14 0.01 0.27 9 1 0.31 0.16 0.05 -0.02 0.00 0.04 0.10 0.17 0.43 10 8 0.01 0.00 0.01 0.00 -0.01 0.00 0.04 -0.06 0.00 11 8 -0.01 0.00 0.03 0.00 0.00 0.00 0.01 -0.01 0.00 12 8 0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 13 1 -0.01 0.02 0.02 0.00 0.00 0.00 -0.01 0.03 0.03 14 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 15 1 0.04 -0.01 0.04 -0.02 0.00 -0.01 -0.10 0.00 -0.08 16 6 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.06 -0.11 -0.10 17 8 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.05 0.04 0.04 18 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 19 6 0.01 0.00 0.00 0.01 0.00 0.00 0.05 0.00 -0.02 20 1 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.11 0.00 0.10 21 1 -0.03 0.00 0.01 -0.03 0.00 0.01 -0.22 -0.01 0.09 22 1 -0.02 -0.01 -0.01 -0.01 0.00 -0.01 -0.13 -0.04 -0.06 23 6 0.02 -0.05 0.02 0.01 -0.02 0.01 -0.03 0.00 -0.01 24 6 0.00 0.00 -0.01 -0.03 -0.10 0.04 0.00 0.00 -0.01 25 6 0.00 -0.01 0.03 -0.05 -0.01 -0.02 0.01 0.03 0.00 26 6 -0.04 -0.02 -0.06 -0.02 0.02 -0.01 -0.02 0.01 0.04 27 6 -0.07 0.03 -0.01 0.02 0.00 0.01 0.02 -0.01 0.02 28 1 -0.01 0.15 -0.17 -0.13 -0.07 -0.10 0.20 0.11 0.12 29 1 0.16 0.00 -0.04 0.25 0.12 -0.12 -0.07 -0.19 -0.04 30 1 0.18 0.03 0.31 0.16 -0.04 -0.01 -0.04 -0.08 -0.24 31 1 0.74 -0.06 0.04 -0.12 0.05 -0.05 -0.21 0.07 -0.08 32 1 0.04 -0.03 0.01 0.39 0.43 -0.32 -0.06 -0.04 0.03 33 8 0.00 0.01 0.00 0.00 0.03 0.01 0.01 -0.01 -0.01 34 8 0.00 0.00 0.00 0.00 0.02 0.02 0.00 0.00 0.00 35 8 -0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 36 1 0.00 0.04 0.06 -0.01 -0.12 -0.14 0.00 0.00 0.00 37 8 0.01 0.01 0.01 0.01 0.01 0.00 0.01 0.01 0.00 38 1 -0.01 -0.15 -0.14 -0.01 -0.07 -0.05 0.00 -0.03 -0.01 39 6 0.00 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 44 1 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 1 0.01 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.00 46 6 0.00 0.00 0.00 -0.03 0.01 -0.02 0.00 0.00 0.00 47 6 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 -0.01 -0.06 -0.01 0.00 0.01 0.00 51 1 -0.01 0.00 -0.01 0.19 0.01 0.25 -0.02 0.00 -0.02 52 1 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 53 1 0.00 0.00 -0.01 0.17 -0.07 -0.05 -0.02 0.01 0.00 54 1 0.01 0.01 0.00 0.21 0.26 0.06 -0.03 -0.03 -0.01 55 1 0.00 0.00 0.00 0.12 0.07 -0.04 -0.02 -0.02 0.00 56 8 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 0.01 0.00 59 8 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.05 0.00 -0.02 -0.01 0.00 0.00 61 8 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 62 1 0.00 0.00 0.00 -0.03 -0.06 -0.14 0.00 0.01 0.01 63 6 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 69 1 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 146 147 A A A Frequencies -- 1385.2512 1388.8293 1395.2404 Red. masses -- 1.2891 1.2920 1.3562 Frc consts -- 1.4574 1.4682 1.5555 IR Inten -- 18.5185 39.2713 13.9348 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 2 6 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 7 1 -0.05 0.02 -0.02 0.00 0.00 0.00 0.02 -0.01 0.01 8 1 -0.03 0.00 -0.06 0.00 0.00 -0.01 0.01 0.00 0.02 9 1 0.02 -0.01 -0.06 0.01 0.00 -0.01 -0.02 0.00 0.03 10 8 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.04 0.00 0.03 0.00 0.00 0.00 -0.01 0.00 -0.01 16 6 -0.01 0.02 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 17 8 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 18 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 6 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.02 0.00 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 21 1 0.04 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 22 1 0.02 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 23 6 -0.08 -0.02 -0.05 -0.01 0.00 -0.01 0.03 0.02 0.02 24 6 0.00 -0.03 0.01 0.00 0.00 0.00 0.02 0.05 -0.03 25 6 0.03 0.06 -0.01 0.00 0.00 0.00 0.03 0.02 0.01 26 6 0.01 -0.02 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 27 6 -0.02 0.00 0.04 0.00 0.00 0.01 0.00 0.01 -0.03 28 1 0.64 0.41 0.31 0.07 0.04 0.03 -0.24 -0.16 -0.10 29 1 -0.07 -0.23 -0.06 0.00 0.00 0.00 -0.14 -0.15 0.04 30 1 -0.20 0.06 0.02 -0.02 0.00 -0.02 -0.09 0.03 0.05 31 1 0.08 0.11 -0.12 0.01 0.02 -0.03 -0.01 -0.09 0.12 32 1 0.10 0.02 -0.03 0.02 -0.01 0.00 -0.16 -0.27 0.18 33 8 0.01 -0.02 -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 34 8 0.00 0.00 0.01 0.00 0.01 0.00 0.01 -0.03 0.01 35 8 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 36 1 0.00 0.07 0.07 0.00 0.00 0.00 0.00 0.09 0.10 37 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 1 -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 0.02 0.02 39 6 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 1 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 45 1 -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46 6 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.02 0.04 0.02 47 6 0.00 0.00 0.01 -0.07 -0.09 -0.05 -0.03 -0.03 0.01 48 6 -0.01 0.01 0.01 0.06 0.03 -0.01 -0.02 0.03 0.03 49 6 0.01 0.02 0.00 -0.05 -0.02 -0.01 0.03 0.01 -0.02 50 6 -0.02 -0.03 0.00 0.02 0.01 0.01 -0.06 -0.05 0.00 51 1 0.09 -0.01 0.08 -0.07 0.03 -0.02 0.15 -0.06 0.06 52 1 0.10 -0.04 -0.02 -0.31 0.21 0.12 0.22 -0.09 -0.05 53 1 0.03 -0.01 -0.03 0.22 -0.09 0.14 -0.02 0.04 -0.01 54 1 0.16 0.20 0.02 -0.06 -0.15 -0.08 0.36 0.47 0.02 55 1 0.05 0.01 -0.03 0.54 0.56 0.05 0.33 0.19 -0.10 56 8 0.00 0.00 -0.01 -0.01 0.02 0.00 0.00 0.01 -0.02 57 8 0.00 0.00 0.00 0.02 0.01 0.03 0.01 -0.01 0.00 58 1 0.01 0.03 0.00 -0.10 -0.23 0.01 0.03 0.07 0.00 59 8 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.01 60 1 0.04 0.00 -0.02 0.02 0.00 -0.01 0.15 0.00 -0.07 61 8 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.01 62 1 -0.02 -0.02 -0.06 0.03 0.04 0.12 -0.02 -0.02 -0.05 63 6 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.03 -0.04 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.02 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 67 1 0.01 0.00 0.00 0.00 0.01 0.01 0.04 0.03 0.02 68 1 0.01 0.00 0.01 0.00 0.00 0.00 0.06 0.01 0.04 69 1 0.01 0.00 0.00 0.00 -0.01 0.01 0.04 -0.02 0.01 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 149 150 A A A Frequencies -- 1400.0241 1406.2771 1412.1465 Red. masses -- 1.3865 1.3330 1.3388 Frc consts -- 1.6012 1.5532 1.5730 IR Inten -- 4.2637 43.7716 5.9350 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.01 0.00 0.00 0.00 0.00 -0.02 0.03 0.00 2 6 -0.04 -0.01 0.01 0.00 0.00 0.00 0.02 0.00 -0.02 3 6 0.03 -0.01 0.00 -0.01 0.00 0.00 -0.03 0.02 0.00 4 6 -0.02 0.01 0.00 0.00 0.00 0.00 0.02 0.00 -0.01 5 6 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 6 1 -0.04 0.13 0.05 0.01 -0.03 -0.01 0.07 -0.13 -0.03 7 1 0.03 -0.08 -0.01 0.00 0.02 0.00 0.05 0.07 0.06 8 1 -0.02 -0.01 -0.07 0.01 0.00 0.02 0.03 0.01 0.09 9 1 0.26 0.06 -0.18 -0.03 -0.01 0.03 -0.14 -0.01 0.18 10 8 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 13 1 0.03 -0.04 -0.05 -0.01 0.01 0.01 -0.04 0.05 0.06 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 15 1 0.04 0.00 0.03 -0.01 0.00 -0.01 -0.09 0.00 -0.07 16 6 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 21 1 -0.01 0.00 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 22 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 23 6 0.00 0.01 -0.03 -0.01 -0.01 -0.01 -0.05 0.01 -0.02 24 6 0.03 0.04 0.01 -0.01 -0.01 0.01 0.02 0.04 0.02 25 6 -0.05 -0.09 -0.01 -0.01 -0.02 0.00 0.01 -0.10 -0.01 26 6 0.05 0.04 0.05 -0.01 0.00 -0.01 -0.02 0.00 -0.06 27 6 -0.04 -0.06 0.05 0.01 0.01 0.00 0.03 0.04 -0.01 28 1 0.08 -0.01 0.07 0.06 0.04 0.03 0.23 0.11 0.17 29 1 0.02 0.52 0.17 0.06 0.08 0.00 0.05 0.53 0.19 30 1 -0.05 -0.09 -0.44 0.08 0.00 0.07 0.25 0.09 0.46 31 1 0.22 0.15 -0.30 -0.04 0.00 0.01 -0.14 -0.06 0.16 32 1 0.14 -0.13 0.12 -0.01 0.11 -0.07 0.07 -0.04 0.06 33 8 -0.01 -0.02 -0.01 0.01 0.00 0.01 0.00 -0.02 -0.01 34 8 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.01 0.00 35 8 0.01 0.01 -0.01 0.00 0.00 0.00 -0.02 0.01 -0.02 36 1 -0.01 -0.07 -0.08 0.00 -0.02 -0.02 0.00 0.10 0.12 37 8 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.02 0.00 38 1 0.01 0.16 0.13 0.00 0.00 0.00 0.01 0.17 0.14 39 6 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.02 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.00 -0.01 0.00 0.00 0.00 0.00 -0.02 0.01 0.00 44 1 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 45 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.02 46 6 0.00 0.01 0.01 0.04 -0.04 -0.01 -0.01 0.02 0.02 47 6 -0.01 0.00 0.00 -0.06 -0.01 0.03 0.01 0.00 0.00 48 6 -0.01 0.01 0.01 -0.03 0.04 0.08 0.00 0.00 -0.01 49 6 0.01 0.00 0.00 0.05 -0.01 0.02 0.00 0.00 0.00 50 6 -0.01 -0.01 0.00 0.02 0.04 0.01 -0.01 -0.01 -0.01 51 1 0.03 -0.03 -0.01 -0.19 0.12 -0.02 0.05 -0.06 -0.05 52 1 0.07 -0.03 -0.02 0.36 -0.20 -0.23 -0.03 0.02 0.02 53 1 -0.04 0.00 -0.05 -0.28 0.06 -0.18 0.01 -0.01 -0.01 54 1 0.08 0.11 0.01 -0.21 -0.28 -0.04 0.07 0.10 0.01 55 1 0.05 0.01 -0.03 0.33 0.13 -0.21 -0.02 0.00 0.02 56 8 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 58 1 0.01 0.03 0.00 0.12 0.26 0.00 -0.02 -0.04 0.00 59 8 0.00 0.00 0.00 -0.03 -0.02 -0.02 0.00 0.00 0.00 60 1 0.04 0.00 -0.02 0.36 -0.01 -0.15 -0.04 0.00 0.02 61 8 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.02 0.02 0.00 0.01 0.02 63 6 0.00 -0.01 -0.01 0.00 0.02 0.02 0.00 -0.01 -0.01 64 8 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.01 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 67 1 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.02 0.01 0.01 68 1 0.01 0.00 0.01 -0.03 -0.01 -0.02 0.02 0.01 0.02 69 1 0.01 0.00 0.00 -0.02 0.00 0.00 0.02 -0.01 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 152 153 A A A Frequencies -- 1418.9259 1423.5748 1430.1291 Red. masses -- 1.4041 1.6101 1.4574 Frc consts -- 1.6656 1.9225 1.7562 IR Inten -- 8.3569 65.2271 10.1966 Atom AN X Y Z X Y Z X Y Z 1 6 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 2 6 -0.05 0.01 0.03 0.02 -0.01 -0.02 0.01 -0.01 0.00 3 6 0.06 -0.08 -0.03 -0.03 0.04 0.01 -0.03 0.02 -0.02 4 6 -0.06 0.04 0.03 0.03 -0.02 -0.02 0.01 0.00 -0.06 5 6 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.01 6 1 -0.17 0.45 0.21 0.10 -0.22 -0.08 0.11 -0.08 0.05 7 1 0.09 -0.25 -0.04 0.04 0.12 0.08 0.33 0.08 0.26 8 1 -0.03 -0.02 -0.13 0.02 0.01 0.07 -0.01 0.00 -0.01 9 1 0.20 0.01 -0.34 -0.06 0.01 0.18 0.04 0.01 0.04 10 8 -0.01 0.02 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 11 8 0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.01 0.00 12 8 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 13 1 0.03 -0.03 -0.05 -0.02 0.03 0.03 -0.04 0.06 0.07 14 8 0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.03 15 1 0.09 -0.01 0.07 -0.10 0.00 -0.08 -0.24 0.01 -0.20 16 6 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 21 1 -0.01 0.00 0.01 0.00 0.00 0.00 0.02 0.00 -0.01 22 1 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 0.01 23 6 0.00 0.00 0.01 0.02 0.00 0.00 0.02 -0.01 0.01 24 6 -0.01 -0.03 0.01 -0.01 0.00 0.00 -0.03 -0.06 0.03 25 6 0.05 0.00 -0.03 0.05 0.00 -0.02 0.07 0.02 -0.05 26 6 0.02 -0.02 -0.02 0.03 -0.01 0.02 0.05 -0.02 0.02 27 6 0.03 0.03 -0.03 -0.03 -0.02 0.00 -0.03 -0.01 0.00 28 1 -0.02 -0.01 0.00 -0.05 -0.04 -0.03 -0.09 -0.07 -0.06 29 1 -0.17 0.09 0.10 -0.19 0.11 0.13 -0.26 0.06 0.13 30 1 -0.11 0.12 0.26 -0.16 0.02 -0.09 -0.29 0.06 -0.08 31 1 -0.26 -0.08 0.16 0.23 0.00 -0.05 0.20 -0.01 -0.03 32 1 -0.01 0.15 -0.10 0.04 0.01 -0.01 0.05 0.27 -0.19 33 8 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.01 34 8 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 35 8 -0.02 -0.01 -0.01 -0.02 0.00 -0.01 -0.03 -0.01 -0.01 36 1 0.00 0.13 0.16 0.00 0.13 0.15 0.00 0.17 0.20 37 8 -0.02 -0.02 0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 38 1 0.01 0.19 0.17 0.00 0.08 0.07 0.01 0.13 0.12 39 6 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 44 1 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 45 1 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.01 0.02 46 6 0.01 -0.02 -0.03 0.04 -0.07 -0.10 -0.02 0.03 0.04 47 6 0.00 0.00 0.01 -0.01 0.00 0.03 0.01 0.00 -0.03 48 6 0.00 0.00 -0.01 -0.02 -0.01 -0.06 0.02 0.01 0.06 49 6 0.01 0.00 -0.01 0.03 0.02 -0.02 -0.03 -0.01 0.01 50 6 -0.01 0.00 0.01 -0.04 0.01 0.05 0.03 0.00 -0.02 51 1 -0.03 0.10 0.13 -0.10 0.35 0.45 0.04 -0.14 -0.18 52 1 0.01 0.01 0.05 0.08 0.03 0.25 -0.08 -0.02 -0.21 53 1 0.02 0.03 0.05 0.03 0.10 0.15 0.02 -0.06 -0.06 54 1 0.00 -0.02 -0.03 0.06 0.00 -0.10 -0.04 -0.04 0.03 55 1 0.01 0.01 0.01 0.07 0.06 0.02 -0.09 -0.05 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 58 1 0.01 0.02 0.00 0.05 0.11 0.00 -0.04 -0.08 0.00 59 8 0.00 0.00 0.00 0.01 0.01 0.01 -0.01 -0.01 -0.01 60 1 -0.03 0.00 0.01 -0.16 0.01 0.07 0.15 -0.01 -0.06 61 8 0.00 0.00 0.01 -0.01 -0.01 0.02 0.00 0.01 -0.01 62 1 -0.01 -0.02 -0.05 -0.05 -0.08 -0.20 0.03 0.04 0.11 63 6 0.00 0.02 0.02 0.01 0.07 0.07 0.00 -0.03 -0.03 64 8 0.00 -0.01 -0.01 -0.02 -0.02 -0.03 0.01 0.01 0.01 65 8 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 66 6 0.01 0.00 0.00 0.02 0.01 0.02 -0.01 0.00 -0.01 67 1 -0.02 -0.02 -0.02 -0.06 -0.07 -0.07 0.02 0.03 0.03 68 1 -0.03 -0.01 -0.02 -0.09 -0.04 -0.06 0.04 0.02 0.02 69 1 -0.03 0.01 -0.01 -0.09 0.05 -0.03 0.04 -0.02 0.01 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 155 156 A A A Frequencies -- 1432.3153 1438.1340 1444.7143 Red. masses -- 1.3420 1.4976 1.5861 Frc consts -- 1.6221 1.8250 1.9506 IR Inten -- 51.1809 27.3825 12.9752 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 3 6 -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 4 6 -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.01 0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.11 0.08 0.20 0.00 -0.01 -0.01 0.00 -0.01 -0.02 7 1 0.53 0.02 0.37 0.00 0.01 0.00 0.00 0.01 0.00 8 1 -0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.10 -0.02 -0.16 0.01 0.00 0.00 0.01 0.01 0.00 10 8 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 -0.07 0.09 0.11 0.00 0.00 0.00 0.01 -0.01 -0.01 14 8 -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 0.00 0.00 15 1 -0.33 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 16 6 -0.01 0.02 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17 8 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 6 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.05 0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 23 6 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 24 6 0.01 0.03 -0.02 0.00 -0.03 0.01 0.00 -0.02 0.01 25 6 -0.06 0.00 0.03 0.01 0.00 -0.01 0.01 0.00 -0.01 26 6 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 27 6 0.02 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 28 1 0.04 0.02 0.03 0.00 0.01 -0.01 0.01 0.01 -0.01 29 1 0.18 -0.12 -0.12 -0.02 0.04 0.01 -0.01 0.05 0.01 30 1 0.12 -0.02 0.04 -0.02 -0.01 -0.04 -0.02 -0.01 -0.03 31 1 -0.13 0.02 0.00 0.03 0.01 -0.02 0.02 0.01 -0.02 32 1 -0.03 -0.16 0.10 -0.16 0.19 -0.11 -0.17 0.17 -0.10 33 8 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.01 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 36 1 0.00 -0.14 -0.17 0.00 0.01 0.02 0.00 0.02 0.02 37 8 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 1 0.00 -0.07 -0.06 0.00 -0.01 -0.01 0.00 -0.01 0.00 39 6 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 44 1 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 45 1 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 46 6 0.01 -0.01 -0.01 -0.02 0.03 0.04 0.00 0.02 0.07 47 6 0.00 0.00 0.01 0.01 -0.06 -0.02 -0.04 0.04 0.14 48 6 -0.01 -0.01 -0.03 -0.11 0.02 -0.09 0.03 -0.05 -0.09 49 6 0.01 0.00 0.00 0.08 0.00 0.03 -0.03 0.02 -0.01 50 6 -0.01 0.00 0.01 0.02 0.01 -0.04 0.01 0.01 -0.02 51 1 -0.02 0.05 0.06 0.02 -0.15 -0.22 0.00 -0.16 -0.23 52 1 0.04 0.01 0.10 0.42 -0.07 0.34 -0.15 0.12 0.30 53 1 -0.01 0.02 0.02 -0.28 0.14 -0.05 0.10 0.02 0.13 54 1 0.01 0.01 -0.01 -0.17 -0.03 0.19 -0.04 -0.05 -0.01 55 1 0.04 0.02 -0.01 0.07 0.32 0.32 0.35 -0.20 -0.47 56 8 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.04 57 8 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.04 -0.03 58 1 0.02 0.04 0.00 -0.05 -0.13 0.01 0.18 0.40 -0.01 59 8 0.01 0.00 0.00 0.03 0.00 0.02 0.01 0.01 0.01 60 1 -0.07 0.00 0.03 -0.28 0.01 0.12 -0.16 0.02 0.06 61 8 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 62 1 -0.01 -0.02 -0.04 -0.03 -0.04 -0.10 -0.02 -0.02 -0.07 63 6 0.00 0.01 0.01 0.00 -0.03 -0.02 0.00 -0.03 -0.04 64 8 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 0.01 0.01 65 8 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 66 6 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.02 0.00 -0.01 67 1 -0.01 -0.01 -0.01 0.02 0.03 0.03 0.06 0.05 0.05 68 1 -0.01 -0.01 -0.01 0.03 0.01 0.02 0.06 0.02 0.04 69 1 -0.01 0.01 0.00 0.03 -0.02 0.02 0.08 -0.04 0.03 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 158 159 A A A Frequencies -- 1449.0857 1453.1695 1453.5105 Red. masses -- 1.6626 1.2885 1.4111 Frc consts -- 2.0570 1.6031 1.7564 IR Inten -- 16.5796 25.1901 93.4992 Atom AN X Y Z X Y Z X Y Z 1 6 0.02 -0.02 0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 2 6 -0.12 -0.01 -0.05 -0.02 -0.01 0.01 -0.05 -0.04 0.03 3 6 0.09 0.06 0.13 -0.03 0.02 -0.03 -0.10 0.07 -0.07 4 6 0.01 -0.03 -0.05 0.01 -0.01 0.01 0.04 -0.03 0.03 5 6 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 -0.07 -0.29 -0.42 0.12 -0.04 0.10 0.35 -0.15 0.27 7 1 0.09 0.16 0.15 -0.07 0.02 -0.04 -0.24 0.06 -0.14 8 1 -0.03 0.00 -0.03 0.01 0.00 0.03 0.04 0.01 0.12 9 1 0.51 0.25 -0.01 0.18 0.05 -0.03 0.56 0.18 -0.04 10 8 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.01 0.00 11 8 0.02 -0.03 0.00 0.00 -0.01 0.00 0.01 -0.02 0.00 12 8 -0.04 0.00 -0.01 0.01 -0.01 0.00 0.03 -0.02 0.00 13 1 0.19 -0.26 -0.32 -0.05 0.07 0.08 -0.14 0.19 0.23 14 8 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 15 1 -0.08 0.00 -0.06 0.02 0.00 0.02 0.07 0.00 0.06 16 6 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 6 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 20 1 0.02 0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 0.02 21 1 0.02 0.00 -0.02 0.00 0.00 0.00 -0.02 0.00 0.02 22 1 0.03 0.02 0.01 -0.01 0.00 0.00 -0.03 -0.02 -0.01 23 6 -0.01 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.01 24 6 0.00 0.00 0.00 0.03 -0.01 0.01 -0.01 0.00 0.00 25 6 -0.02 0.01 0.00 -0.01 -0.02 -0.01 -0.02 0.02 0.00 26 6 0.01 -0.01 -0.01 -0.02 0.01 0.01 0.04 -0.01 -0.01 27 6 0.02 0.03 -0.01 0.01 0.00 0.00 0.02 0.00 0.00 28 1 0.01 0.03 0.00 0.05 0.03 0.02 -0.04 -0.03 -0.01 29 1 0.02 -0.06 -0.04 0.05 0.09 0.01 -0.01 -0.10 -0.05 30 1 -0.03 0.04 0.10 0.06 -0.04 -0.05 -0.12 0.07 0.06 31 1 -0.22 -0.02 0.07 -0.05 0.03 -0.03 -0.17 -0.01 0.03 32 1 -0.04 0.01 0.00 -0.46 0.21 -0.09 0.15 -0.07 0.02 33 8 0.00 0.00 0.00 0.01 0.01 0.02 -0.01 0.00 -0.01 34 8 0.00 0.00 0.00 0.01 -0.01 -0.02 0.00 0.01 0.00 35 8 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 36 1 0.00 -0.03 -0.04 0.00 -0.02 -0.03 0.00 -0.04 -0.05 37 8 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 38 1 0.01 0.06 0.07 0.00 -0.05 -0.04 0.01 0.13 0.13 39 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 1 -0.01 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 44 1 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 45 1 -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46 6 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 0.01 48 6 0.00 0.00 0.00 0.02 0.02 0.06 -0.01 -0.01 -0.02 49 6 0.00 0.00 0.00 0.02 0.00 -0.09 -0.01 0.00 0.03 50 6 0.00 0.00 0.00 -0.01 0.02 0.02 0.01 -0.01 -0.01 51 1 0.00 0.00 0.00 0.02 -0.05 -0.06 -0.01 0.01 0.01 52 1 0.00 0.00 -0.02 -0.01 -0.03 -0.17 0.01 0.01 0.06 53 1 0.00 0.01 0.02 0.09 0.27 0.57 -0.03 -0.08 -0.17 54 1 0.00 0.00 0.00 0.04 0.01 -0.07 -0.02 -0.01 0.03 55 1 -0.01 0.00 0.01 -0.08 -0.01 0.04 0.03 0.00 -0.02 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 58 1 -0.01 -0.01 0.00 -0.03 -0.06 0.00 0.01 0.02 0.00 59 8 0.00 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 0.00 60 1 0.01 0.00 0.00 0.12 -0.01 -0.05 -0.04 0.00 0.02 61 8 0.00 0.00 0.00 -0.02 -0.02 0.03 0.01 0.01 -0.01 62 1 0.00 -0.01 -0.01 -0.06 -0.14 -0.31 0.02 0.04 0.09 63 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 161 162 A A A Frequencies -- 1463.2034 1468.9012 1493.2505 Red. masses -- 1.3146 1.4004 1.1918 Frc consts -- 1.6582 1.7803 1.5658 IR Inten -- 13.4358 8.5456 6.2377 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 2 6 0.02 0.01 -0.01 -0.02 0.00 0.01 0.00 0.00 0.00 3 6 0.01 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 0.00 4 6 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 5 6 0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 6 1 -0.05 0.02 -0.04 0.04 -0.01 0.03 0.01 -0.01 0.00 7 1 0.01 -0.02 0.00 0.00 0.01 0.01 0.00 0.01 0.01 8 1 0.01 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 0.00 9 1 -0.15 -0.04 0.07 0.14 0.03 -0.07 0.01 0.00 0.00 10 8 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 11 8 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.01 -0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 -0.01 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 21 1 -0.01 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 22 1 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 23 6 0.01 0.01 0.01 0.00 0.02 0.01 -0.01 0.01 -0.01 24 6 -0.04 0.00 -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 25 6 -0.06 0.03 0.02 0.10 -0.01 -0.01 0.00 0.00 0.00 26 6 0.09 -0.01 -0.03 -0.10 0.01 0.03 0.00 0.00 0.00 27 6 -0.02 0.00 0.01 0.03 0.01 -0.02 0.00 0.00 0.00 28 1 -0.03 -0.01 -0.03 -0.03 -0.03 0.01 0.01 0.02 0.00 29 1 0.06 -0.17 -0.11 -0.17 0.05 0.13 0.00 0.01 0.00 30 1 -0.17 0.16 0.18 0.17 -0.15 -0.15 0.01 0.00 0.01 31 1 0.11 -0.02 0.01 -0.16 -0.02 0.04 -0.02 0.00 0.01 32 1 0.49 -0.18 0.06 0.62 -0.21 0.09 0.02 -0.01 0.01 33 8 -0.01 -0.01 -0.02 -0.01 -0.01 -0.02 0.00 0.00 0.00 34 8 0.00 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 0.00 35 8 0.02 0.00 0.01 -0.02 -0.01 -0.01 0.00 0.00 0.00 36 1 0.00 -0.14 -0.16 0.01 0.14 0.18 0.00 0.00 0.00 37 8 -0.03 -0.03 -0.01 0.03 0.02 0.01 0.00 0.00 0.00 38 1 0.02 0.31 0.27 -0.02 -0.31 -0.27 0.00 -0.01 -0.01 39 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.03 -0.04 0.02 40 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.04 -0.01 41 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 42 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.07 -0.04 43 1 0.00 0.00 0.00 -0.01 0.02 0.00 0.34 -0.43 0.08 44 1 0.00 0.00 0.00 -0.01 0.02 0.00 0.13 -0.46 0.19 45 1 0.00 0.00 0.00 -0.01 0.01 -0.02 0.31 -0.26 0.49 46 6 0.00 0.01 0.03 0.00 0.00 0.02 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.03 0.00 -0.04 0.02 0.00 -0.03 0.00 0.00 0.00 50 6 0.02 0.03 -0.01 0.02 0.03 -0.01 0.00 0.00 0.00 51 1 0.00 -0.10 -0.16 -0.01 -0.07 -0.12 0.00 0.00 0.00 52 1 0.06 -0.02 -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 53 1 0.01 0.20 0.35 -0.01 0.13 0.21 0.00 0.00 0.00 54 1 -0.11 -0.10 0.01 -0.08 -0.08 0.01 0.00 0.00 0.00 55 1 0.01 0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.01 0.00 0.01 0.02 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.02 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 61 8 -0.01 -0.02 0.02 -0.01 -0.01 0.01 0.00 0.00 0.00 62 1 -0.05 -0.11 -0.25 -0.03 -0.07 -0.15 0.00 0.00 0.00 63 6 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.01 0.02 0.02 0.01 0.01 0.02 0.00 0.00 0.00 68 1 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.02 -0.02 0.02 0.01 -0.01 0.01 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 164 165 A A A Frequencies -- 1505.0628 1507.6943 1507.9588 Red. masses -- 1.1206 1.0474 1.0492 Frc consts -- 1.4956 1.4028 1.4057 IR Inten -- 2.8805 4.7656 26.2799 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 7 1 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.01 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 9 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 16 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 18 8 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 -0.01 -0.02 0.01 -0.05 20 1 0.00 0.01 0.00 0.02 0.04 0.01 0.24 0.44 0.08 21 1 0.00 0.00 0.01 0.01 -0.01 0.07 0.17 -0.11 0.68 22 1 0.00 0.00 0.00 -0.01 -0.05 0.00 -0.13 -0.44 0.04 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 -0.05 -0.02 0.02 0.01 0.00 0.00 43 1 0.00 0.00 0.00 -0.05 0.45 0.09 0.01 -0.04 -0.01 44 1 0.00 0.00 0.00 0.18 -0.44 -0.15 -0.02 0.05 0.02 45 1 0.00 0.00 0.00 0.63 0.23 -0.28 -0.07 -0.02 0.03 46 6 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 1 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 -0.01 0.02 0.04 0.00 0.00 0.00 0.00 0.00 0.00 64 8 -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 -0.07 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.62 0.11 -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 68 1 0.41 -0.51 0.19 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.08 -0.12 0.16 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 167 168 A A A Frequencies -- 1512.4154 1521.5334 1522.0718 Red. masses -- 1.2633 1.1452 1.0460 Frc consts -- 1.7026 1.5621 1.4277 IR Inten -- 16.4096 51.5393 9.4732 Atom AN X Y Z X Y Z X Y Z 1 6 -0.01 0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.01 0.00 7 1 -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 0.01 0.01 8 1 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.02 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 16 6 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17 8 -0.06 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 18 8 0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19 6 -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 0.00 0.00 20 1 0.36 0.31 -0.08 0.00 0.00 0.00 0.01 0.01 0.00 21 1 0.60 -0.04 -0.15 0.00 0.00 0.00 0.02 0.00 -0.01 22 1 0.45 0.38 0.08 0.00 0.00 0.00 0.01 0.01 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 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 -0.01 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 1 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 39 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 42 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.05 43 1 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.53 0.26 0.32 44 1 0.01 -0.01 -0.02 0.00 0.00 -0.01 -0.14 0.00 0.65 45 1 0.01 0.00 0.01 0.00 0.00 0.00 -0.16 0.12 -0.25 46 6 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.00 0.04 0.05 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 54 1 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 55 1 0.00 0.00 0.00 -0.02 0.01 0.02 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 -0.01 0.03 0.05 0.00 0.00 0.00 64 8 0.00 0.00 0.00 -0.03 -0.02 -0.04 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 -0.03 -0.02 -0.05 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.10 0.34 0.54 0.00 0.00 0.01 68 1 0.00 0.00 0.00 -0.03 0.29 0.02 0.00 0.01 0.00 69 1 0.00 0.00 0.00 0.57 -0.29 0.26 0.01 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 170 171 A A A Frequencies -- 1530.0613 1531.7228 1703.9916 Red. masses -- 1.0804 1.0583 8.4341 Frc consts -- 1.4902 1.4629 14.4286 IR Inten -- 10.8130 23.7043 94.4334 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 -0.01 0.00 0.35 -0.11 0.45 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.03 3 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 -0.02 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.06 5 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.06 -0.48 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.03 7 1 0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.15 0.12 8 1 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.28 0.42 9 1 0.00 0.00 0.00 0.00 0.00 -0.01 0.03 -0.04 -0.13 10 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.04 -0.03 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 15 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.02 -0.04 16 6 0.00 0.00 0.00 -0.01 0.01 0.01 0.06 -0.01 -0.05 17 8 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.01 0.00 0.01 18 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.02 -0.01 19 6 0.00 0.00 0.00 0.03 -0.05 -0.01 0.00 0.00 0.00 20 1 0.00 0.00 0.00 -0.32 0.32 0.50 0.04 0.04 -0.01 21 1 0.00 0.00 0.00 0.28 -0.04 -0.03 0.02 -0.01 0.05 22 1 0.00 0.00 0.00 -0.45 0.42 -0.28 0.02 -0.03 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 0.00 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 31 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 1 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 0.01 -0.02 39 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 -0.01 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 6 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 1 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 -0.01 0.02 0.03 0.00 0.00 0.00 0.00 0.00 0.00 64 8 -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 -0.04 -0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.36 0.43 0.34 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.37 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 173 174 A A A Frequencies -- 1769.3659 1776.9932 1851.9018 Red. masses -- 12.0610 12.0596 11.6525 Frc consts -- 22.2468 22.4365 23.5454 IR Inten -- 868.4817 113.9683 184.7710 Atom AN X Y Z X Y Z X Y Z 1 6 -0.03 -0.01 -0.04 -0.06 -0.03 -0.07 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 5 6 0.01 0.00 0.02 0.02 -0.01 0.04 0.00 0.00 0.00 6 1 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 7 1 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.00 8 1 -0.01 -0.02 -0.02 -0.02 -0.04 -0.05 0.00 0.00 0.00 9 1 -0.01 0.00 0.02 -0.02 0.01 0.04 0.00 0.00 0.00 10 8 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 0.01 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.00 16 6 0.31 0.08 0.05 0.70 0.17 0.11 0.02 0.00 0.00 17 8 -0.02 0.00 0.00 -0.05 -0.01 0.01 0.00 0.00 0.00 18 8 -0.19 -0.05 -0.03 -0.44 -0.12 -0.07 -0.01 0.00 0.00 19 6 -0.02 0.00 0.01 -0.03 0.00 0.01 0.00 0.00 0.00 20 1 0.04 0.04 -0.01 0.08 0.08 -0.03 0.00 0.00 0.00 21 1 0.07 0.00 0.00 0.14 -0.01 -0.01 0.00 0.00 0.00 22 1 0.02 0.03 0.02 0.05 0.06 0.04 0.00 0.00 0.00 23 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 -0.05 24 6 0.01 0.00 -0.01 -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 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 27 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 28 1 0.01 0.00 0.01 -0.02 0.00 -0.01 0.11 -0.06 0.17 29 1 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.02 31 1 0.00 0.00 0.00 -0.01 0.00 0.00 -0.02 -0.01 0.03 32 1 -0.03 -0.07 0.04 0.01 0.03 -0.02 0.01 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 34 8 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 35 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 1 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 37 8 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 38 1 0.01 0.06 0.04 0.01 0.13 0.09 0.00 0.00 0.00 39 6 0.00 0.00 0.01 -0.01 0.00 -0.02 0.27 0.16 0.71 40 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.04 41 8 0.00 0.00 0.00 0.01 0.00 0.01 -0.17 -0.12 -0.46 42 6 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.02 43 1 0.00 0.00 0.00 0.00 -0.01 0.00 -0.06 0.12 0.03 44 1 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.13 0.00 45 1 0.00 0.00 0.00 0.00 -0.01 0.01 -0.11 0.10 -0.15 46 6 -0.06 0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.02 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51 1 -0.03 0.07 0.09 0.01 -0.03 -0.04 0.00 0.00 0.00 52 1 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.01 -0.03 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 55 1 0.01 -0.01 -0.02 0.00 0.00 0.01 0.00 0.00 0.00 56 8 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.01 63 6 0.73 -0.06 0.09 -0.32 0.02 -0.04 -0.02 0.00 0.00 64 8 -0.05 0.00 -0.01 0.02 0.00 0.01 0.00 0.00 0.00 65 8 -0.46 0.04 -0.06 0.20 -0.02 0.02 0.01 0.00 0.00 66 6 -0.03 -0.01 -0.02 0.01 0.01 0.01 0.00 0.00 0.00 67 1 0.11 0.06 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 68 1 0.12 0.02 0.08 -0.05 -0.01 -0.03 0.00 0.00 0.00 69 1 0.08 -0.03 -0.03 -0.03 0.01 0.01 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 176 177 A A A Frequencies -- 2963.8891 2994.3080 3031.0687 Red. masses -- 1.0824 1.0792 1.0838 Frc consts -- 5.6020 5.7009 5.8668 IR Inten -- 46.5101 11.7282 32.3206 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 -0.05 -0.05 0.04 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.65 0.52 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 7 1 -0.04 -0.03 0.05 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.01 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 6 0.00 0.00 0.00 -0.04 -0.06 0.03 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 48 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.08 0.02 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.52 0.73 -0.43 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.88 -0.25 53 1 0.00 0.00 0.00 -0.01 -0.03 0.01 -0.04 -0.08 0.03 54 1 0.00 0.00 0.00 0.02 -0.02 0.01 0.00 0.00 0.00 55 1 0.00 0.00 0.00 -0.01 0.00 -0.01 0.07 -0.08 0.07 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 179 180 A A A Frequencies -- 3050.3391 3062.1645 3067.4703 Red. masses -- 1.0853 1.0873 1.0837 Frc consts -- 5.9496 6.0069 6.0078 IR Inten -- 20.0760 25.4996 10.3229 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.04 -0.06 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.04 0.04 7 1 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.57 -0.45 0.68 8 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 9 1 0.01 -0.03 0.01 0.03 -0.07 0.02 0.00 0.01 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 16 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 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 -0.03 0.02 -0.06 0.02 -0.01 0.03 0.00 0.00 0.00 26 6 -0.01 -0.04 0.01 -0.02 -0.07 0.02 0.00 0.00 0.00 27 6 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 28 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.36 -0.26 0.75 -0.20 0.15 -0.41 0.00 0.00 0.01 30 1 0.15 0.43 -0.14 0.27 0.78 -0.26 -0.01 -0.02 0.01 31 1 0.00 -0.05 -0.03 0.00 -0.09 -0.05 0.00 0.00 0.00 32 1 0.00 -0.02 -0.04 0.00 0.01 0.02 0.00 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 -0.01 0.00 0.00 0.00 39 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 0.01 44 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 45 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 46 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 182 183 A A A Frequencies -- 3080.6742 3085.5033 3087.1265 Red. masses -- 1.0881 1.0297 1.0284 Frc consts -- 6.0843 5.7760 5.7748 IR Inten -- 40.6962 17.6211 20.5482 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 8 1 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 -0.04 -0.01 -0.01 0.00 0.00 0.00 20 1 0.00 0.00 0.00 0.35 -0.33 0.46 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.02 0.59 0.09 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.14 -0.10 -0.41 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.02 -0.02 43 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.09 0.48 44 1 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.25 0.11 45 1 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.44 -0.28 46 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53 1 -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54 1 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 55 1 -0.54 0.60 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 185 186 A A A Frequencies -- 3096.8820 3102.2973 3105.3404 Red. masses -- 1.0859 1.0277 1.0863 Frc consts -- 6.1363 5.8276 6.1720 IR Inten -- 13.5248 18.8163 3.0221 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.12 0.03 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 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 -0.02 0.02 0.02 24 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 27 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.06 -0.04 28 1 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.18 -0.22 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.09 -0.03 31 1 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.76 0.51 32 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 0.00 0.00 50 6 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.39 0.80 -0.36 0.00 0.00 0.00 0.00 -0.01 0.00 54 1 0.16 -0.14 0.11 0.00 0.00 0.00 0.01 -0.01 0.01 55 1 -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.04 0.01 0.01 0.00 0.00 0.00 67 1 0.00 0.00 0.00 -0.16 0.47 -0.25 0.00 0.00 0.00 68 1 0.00 0.00 0.00 -0.31 -0.09 0.51 0.00 0.00 0.00 69 1 0.00 0.00 0.00 -0.04 -0.45 -0.35 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 188 189 A A A Frequencies -- 3113.5657 3121.2202 3124.3015 Red. masses -- 1.0859 1.0860 1.0882 Frc consts -- 6.2023 6.2332 6.2582 IR Inten -- 12.6238 6.1093 19.0367 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 -0.01 0.03 -0.01 0.03 -0.07 0.02 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 -0.01 -0.01 0.01 0.02 0.02 -0.01 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.01 0.00 0.12 -0.29 0.07 -0.33 0.84 -0.22 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 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 0.05 -0.04 -0.05 0.01 -0.01 -0.01 24 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 27 6 0.00 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.02 -0.01 28 1 0.01 -0.01 -0.01 -0.54 0.44 0.56 -0.16 0.13 0.16 29 1 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.10 -0.03 31 1 0.00 -0.02 -0.02 0.02 0.26 0.17 0.01 0.19 0.13 32 1 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 50 6 -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 51 1 -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 52 1 -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53 1 -0.10 -0.20 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.66 -0.56 0.43 0.02 -0.02 0.01 0.00 0.00 0.00 55 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 191 192 A A A Frequencies -- 3171.5388 3171.5532 3182.2334 Red. masses -- 1.1084 1.1085 1.0856 Frc consts -- 6.5686 6.5696 6.4769 IR Inten -- 17.2762 7.5466 13.0916 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.01 -0.02 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 6 0.01 -0.05 0.03 0.02 -0.06 0.04 0.00 0.00 0.00 20 1 -0.23 0.22 -0.31 -0.30 0.28 -0.40 0.00 0.00 0.00 21 1 0.01 0.39 0.07 0.02 0.51 0.09 0.00 0.00 0.00 22 1 0.05 -0.04 -0.12 0.06 -0.05 -0.15 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 -0.01 -0.04 -0.07 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 0.04 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 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 0.06 0.53 0.84 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 -0.06 -0.04 0.02 0.05 0.03 -0.02 0.00 0.00 0.00 43 1 0.24 0.07 -0.44 -0.18 -0.06 0.35 0.00 0.00 0.00 44 1 0.52 0.22 0.10 -0.41 -0.17 -0.08 -0.01 0.00 0.00 45 1 -0.02 0.14 0.10 0.01 -0.11 -0.08 0.00 -0.01 -0.01 46 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 55 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 194 195 A A A Frequencies -- 3188.0296 3193.6312 3197.4025 Red. masses -- 1.1091 1.1075 1.1098 Frc consts -- 6.6416 6.6553 6.6848 IR Inten -- 10.4144 8.2138 10.3064 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 0.01 -0.05 -0.08 0.00 0.00 0.00 20 1 0.00 0.00 0.00 0.08 -0.09 0.09 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.01 0.45 0.06 0.00 0.00 0.00 22 1 0.00 0.00 0.00 -0.27 0.20 0.80 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 1 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 33 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 43 1 -0.25 -0.09 0.44 0.00 0.00 0.00 0.00 0.00 0.00 44 1 0.20 0.07 0.02 0.00 0.00 0.00 0.00 0.00 0.00 45 1 -0.04 0.69 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.04 0.08 67 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.10 -0.58 69 1 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.58 -0.44 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 197 198 A A A Frequencies -- 3201.1073 3210.0740 3655.5326 Red. masses -- 1.1096 1.0915 1.0670 Frc consts -- 6.6992 6.6265 8.4007 IR Inten -- 7.2667 1.5972 347.0696 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 0.00 8 1 0.00 0.00 0.00 -0.51 0.85 0.02 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 -0.02 0.02 -0.03 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 0.00 0.00 0.00 0.01 -0.01 -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 0.00 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 31 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.01 38 1 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.04 -0.21 39 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 59 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.24 -0.70 0.37 0.00 0.00 0.00 0.00 0.00 0.00 68 1 -0.21 -0.04 0.34 0.00 0.00 0.00 0.00 0.00 0.00 69 1 -0.02 -0.29 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 200 201 A A A Frequencies -- 3671.3613 3712.2942 3713.8328 Red. masses -- 1.0649 1.0662 1.0658 Frc consts -- 8.4568 8.6570 8.6610 IR Inten -- 95.7716 24.1523 46.1965 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 1 0.00 0.00 0.00 0.07 -0.01 0.06 0.00 0.00 0.00 14 8 0.00 0.00 0.00 -0.04 -0.02 0.04 0.00 0.00 0.00 15 1 0.00 0.00 0.00 0.65 0.38 -0.65 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 1 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 1 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 58 1 -0.53 0.19 0.82 0.00 0.00 0.00 0.03 -0.01 -0.04 59 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.05 60 1 0.02 0.02 0.05 0.00 0.00 0.00 0.29 0.25 0.84 61 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 62 1 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.27 -0.13 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 203 204 A A A Frequencies -- 3717.3771 3722.9510 3757.8531 Red. masses -- 1.0652 1.0660 1.0658 Frc consts -- 8.6726 8.7055 8.8679 IR Inten -- 35.0532 54.3766 46.0441 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 1 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 7 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 8 0.00 0.00 0.00 -0.05 0.01 -0.04 0.00 0.00 0.00 13 1 0.01 0.00 0.00 0.76 -0.09 0.64 0.00 0.00 0.00 14 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 1 0.00 0.00 0.00 -0.06 -0.04 0.06 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 8 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 1 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 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 1 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 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 8 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.01 36 1 0.01 0.00 0.00 0.00 0.00 0.00 0.99 -0.03 -0.10 37 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 1 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 6 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 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 1 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 1 -0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 59 8 0.01 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 60 1 -0.12 -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 61 8 -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 0.00 0.00 62 1 0.56 0.67 -0.31 0.00 -0.01 0.00 0.00 -0.01 0.00 63 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 8 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 1 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 19 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 6 and mass 12.00000 Atom 2 has atomic number 6 and mass 12.00000 Atom 3 has atomic number 6 and mass 12.00000 Atom 4 has atomic number 6 and mass 12.00000 Atom 5 has atomic number 6 and mass 12.00000 Atom 6 has atomic number 1 and mass 1.00783 Atom 7 has atomic number 1 and mass 1.00783 Atom 8 has atomic number 1 and mass 1.00783 Atom 9 has atomic number 1 and mass 1.00783 Atom 10 has atomic number 8 and mass 15.99491 Atom 11 has atomic number 8 and mass 15.99491 Atom 12 has atomic number 8 and mass 15.99491 Atom 13 has atomic number 1 and mass 1.00783 Atom 14 has atomic number 8 and mass 15.99491 Atom 15 has atomic number 1 and mass 1.00783 Atom 16 has atomic number 6 and mass 12.00000 Atom 17 has atomic number 8 and mass 15.99491 Atom 18 has atomic number 8 and mass 15.99491 Atom 19 has atomic number 6 and mass 12.00000 Atom 20 has atomic number 1 and mass 1.00783 Atom 21 has atomic number 1 and mass 1.00783 Atom 22 has atomic number 1 and mass 1.00783 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 1 and mass 1.00783 Atom 29 has atomic number 1 and mass 1.00783 Atom 30 has atomic number 1 and mass 1.00783 Atom 31 has atomic number 1 and mass 1.00783 Atom 32 has atomic number 1 and mass 1.00783 Atom 33 has atomic number 8 and mass 15.99491 Atom 34 has atomic number 8 and mass 15.99491 Atom 35 has atomic number 8 and mass 15.99491 Atom 36 has atomic number 1 and mass 1.00783 Atom 37 has atomic number 8 and mass 15.99491 Atom 38 has atomic number 1 and mass 1.00783 Atom 39 has atomic number 6 and mass 12.00000 Atom 40 has atomic number 8 and mass 15.99491 Atom 41 has atomic number 8 and mass 15.99491 Atom 42 has atomic number 6 and mass 12.00000 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 6 and mass 12.00000 Atom 47 has atomic number 6 and mass 12.00000 Atom 48 has atomic number 6 and mass 12.00000 Atom 49 has atomic number 6 and mass 12.00000 Atom 50 has atomic number 6 and mass 12.00000 Atom 51 has atomic number 1 and mass 1.00783 Atom 52 has atomic number 1 and mass 1.00783 Atom 53 has atomic number 1 and mass 1.00783 Atom 54 has atomic number 1 and mass 1.00783 Atom 55 has atomic number 1 and mass 1.00783 Atom 56 has atomic number 8 and mass 15.99491 Atom 57 has atomic number 8 and mass 15.99491 Atom 58 has atomic number 1 and mass 1.00783 Atom 59 has atomic number 8 and mass 15.99491 Atom 60 has atomic number 1 and mass 1.00783 Atom 61 has atomic number 8 and mass 15.99491 Atom 62 has atomic number 1 and mass 1.00783 Atom 63 has atomic number 6 and mass 12.00000 Atom 64 has atomic number 8 and mass 15.99491 Atom 65 has atomic number 8 and mass 15.99491 Atom 66 has atomic number 6 and mass 12.00000 Atom 67 has atomic number 1 and mass 1.00783 Atom 68 has atomic number 1 and mass 1.00783 Atom 69 has atomic number 1 and mass 1.00783 Atom 70 has atomic number 19 and mass 38.96371 Molecular mass: 609.10692 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- ****************************** X 0.99479 -0.02379 -0.09910 Y 0.09467 0.57574 0.81213 Z -0.03774 0.81729 -0.57499 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.00788 0.00240 0.00212 Rotational constants (GHZ): 0.16424 0.05005 0.04428 Zero-point vibrational energy 1437856.2 (Joules/Mol) 343.65587 (Kcal/Mol) Warning -- explicit consideration of 70 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 21.11 30.71 36.13 51.22 67.41 (Kelvin) 67.67 75.64 79.21 85.64 101.91 113.20 115.00 123.11 133.71 144.17 159.35 165.98 179.48 183.67 187.37 193.15 199.40 206.58 218.19 227.86 241.27 249.57 255.11 270.34 274.10 283.52 302.52 316.93 322.40 353.19 359.57 363.13 366.44 371.41 400.22 429.85 430.06 449.36 460.27 483.84 499.15 518.54 523.42 550.15 550.53 574.15 580.50 607.52 613.86 626.77 648.02 674.31 674.77 690.07 699.31 719.15 731.19 748.20 779.15 791.74 823.31 832.82 847.54 864.04 891.16 896.40 922.77 958.20 973.34 994.40 1024.26 1052.22 1055.25 1081.06 1105.78 1143.45 1163.11 1179.04 1215.72 1234.67 1251.85 1259.44 1273.04 1282.71 1326.69 1343.86 1347.46 1362.93 1388.22 1410.15 1468.06 1476.18 1496.00 1498.69 1506.69 1525.00 1535.81 1544.92 1557.91 1560.99 1572.74 1584.99 1590.49 1593.08 1617.26 1622.75 1630.96 1646.23 1660.14 1670.55 1673.65 1682.24 1686.05 1689.44 1698.36 1699.57 1722.64 1732.05 1749.19 1776.16 1778.97 1793.37 1828.93 1842.35 1843.60 1848.98 1855.78 1873.38 1876.29 1884.59 1896.00 1908.20 1910.29 1920.55 1922.00 1947.00 1956.81 1971.75 1987.29 1993.07 1998.21 2007.44 2014.32 2023.32 2031.76 2041.52 2048.20 2057.63 2060.78 2069.15 2078.62 2084.91 2090.78 2091.27 2105.22 2113.42 2148.45 2165.45 2169.23 2169.61 2176.03 2189.14 2189.92 2201.41 2203.80 2451.66 2545.72 2556.69 2664.47 4264.37 4308.14 4361.03 4388.75 4405.77 4413.40 4432.40 4439.35 4441.68 4455.72 4463.51 4467.89 4479.72 4490.73 4495.17 4563.13 4563.15 4578.52 4586.86 4594.92 4600.34 4605.67 4618.57 5259.49 5282.26 5341.16 5343.37 5348.47 5356.49 5406.71 Zero-point correction= 0.547650 (Hartree/Particle) Thermal correction to Energy= 0.588878 Thermal correction to Enthalpy= 0.589822 Thermal correction to Gibbs Free Energy= 0.472134 Sum of electronic and zero-point Energies= -2771.461436 Sum of electronic and thermal Energies= -2771.420209 Sum of electronic and thermal Enthalpies= -2771.419265 Sum of electronic and thermal Free Energies= -2771.536953 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 369.526 151.964 247.695 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 45.104 Rotational 0.889 2.981 38.021 Vibrational 367.749 146.002 164.570 Vibration 1 0.593 1.986 7.249 Vibration 2 0.593 1.985 6.505 Vibration 3 0.593 1.985 6.182 Vibration 4 0.594 1.982 5.490 Vibration 5 0.595 1.979 4.946 Vibration 6 0.595 1.979 4.938 Vibration 7 0.596 1.977 4.718 Vibration 8 0.596 1.976 4.627 Vibration 9 0.597 1.974 4.473 Vibration 10 0.598 1.968 4.130 Vibration 11 0.600 1.964 3.924 Vibration 12 0.600 1.963 3.893 Vibration 13 0.601 1.959 3.759 Vibration 14 0.602 1.954 3.597 Vibration 15 0.604 1.949 3.450 Vibration 16 0.607 1.941 3.256 Vibration 17 0.608 1.937 3.177 Vibration 18 0.610 1.928 3.026 Vibration 19 0.611 1.926 2.981 Vibration 20 0.612 1.923 2.943 Vibration 21 0.613 1.919 2.884 Vibration 22 0.614 1.915 2.823 Vibration 23 0.616 1.910 2.756 Vibration 24 0.619 1.901 2.651 Vibration 25 0.621 1.893 2.569 Vibration 26 0.624 1.882 2.461 Vibration 27 0.627 1.875 2.398 Vibration 28 0.628 1.870 2.357 Vibration 29 0.633 1.856 2.249 Vibration 30 0.634 1.853 2.223 Vibration 31 0.636 1.844 2.160 Vibration 32 0.642 1.825 2.041 Vibration 33 0.647 1.810 1.957 Vibration 34 0.649 1.804 1.926 Vibration 35 0.660 1.770 1.763 Vibration 36 0.663 1.763 1.731 Vibration 37 0.664 1.759 1.714 Vibration 38 0.665 1.755 1.698 Vibration 39 0.667 1.749 1.674 Vibration 40 0.679 1.714 1.545 Vibration 41 0.692 1.676 1.424 Vibration 42 0.692 1.676 1.423 Vibration 43 0.701 1.650 1.350 Vibration 44 0.706 1.635 1.311 Vibration 45 0.717 1.603 1.230 Vibration 46 0.725 1.582 1.180 Vibration 47 0.735 1.554 1.120 Vibration 48 0.737 1.547 1.106 Vibration 49 0.752 1.508 1.030 Vibration 50 0.752 1.507 1.029 Vibration 51 0.765 1.472 0.966 Vibration 52 0.769 1.463 0.950 Vibration 53 0.785 1.422 0.884 Vibration 54 0.788 1.412 0.870 Vibration 55 0.796 1.393 0.840 Vibration 56 0.809 1.360 0.795 Vibration 57 0.826 1.320 0.741 Vibration 58 0.826 1.319 0.740 Vibration 59 0.836 1.295 0.711 Vibration 60 0.842 1.281 0.694 Vibration 61 0.855 1.250 0.659 Vibration 62 0.863 1.232 0.638 Vibration 63 0.875 1.206 0.610 Vibration 64 0.897 1.158 0.562 Vibration 65 0.906 1.139 0.544 Vibration 66 0.928 1.091 0.500 Vibration 67 0.935 1.077 0.488 Vibration 68 0.946 1.055 0.469 Vibration 69 0.959 1.031 0.449 Vibration 70 0.979 0.991 0.417 Q Log10(Q) Ln(Q) Total Bot 0.682291-217 -217.166030 -500.043264 Total V=0 0.543468D+35 34.735174 79.980695 Vib (Bot) 0.253816-233 -233.595481 -537.873473 Vib (Bot) 1 0.141180D+02 1.149772 2.647448 Vib (Bot) 2 0.970502D+01 0.986996 2.272643 Vib (Bot) 3 0.824684D+01 0.916288 2.109831 Vib (Bot) 4 0.581438D+01 0.764504 1.760335 Vib (Bot) 5 0.441358D+01 0.644791 1.484686 Vib (Bot) 6 0.439647D+01 0.643104 1.480803 Vib (Bot) 7 0.393090D+01 0.594492 1.368869 Vib (Bot) 8 0.375311D+01 0.574392 1.322586 Vib (Bot) 9 0.346930D+01 0.540242 1.243953 Vib (Bot) 10 0.291141D+01 0.464103 1.068638 Vib (Bot) 11 0.261804D+01 0.417977 0.962427 Vib (Bot) 12 0.257654D+01 0.411038 0.946449 Vib (Bot) 13 0.240473D+01 0.381066 0.877437 Vib (Bot) 14 0.221121D+01 0.344629 0.793539 Vib (Bot) 15 0.204796D+01 0.311322 0.716846 Vib (Bot) 16 0.184892D+01 0.266919 0.614604 Vib (Bot) 17 0.177329D+01 0.248780 0.572837 Vib (Bot) 18 0.163640D+01 0.213889 0.492497 Vib (Bot) 19 0.159789D+01 0.203547 0.468683 Vib (Bot) 20 0.156532D+01 0.194603 0.448089 Vib (Bot) 21 0.151696D+01 0.180975 0.416711 Vib (Bot) 22 0.146773D+01 0.166646 0.383717 Vib (Bot) 23 0.141477D+01 0.150687 0.346970 Vib (Bot) 24 0.133644D+01 0.125949 0.290008 Vib (Bot) 25 0.127714D+01 0.106239 0.244623 Vib (Bot) 26 0.120266D+01 0.080142 0.184533 Vib (Bot) 27 0.116046D+01 0.064632 0.148820 Vib (Bot) 28 0.113381D+01 0.054542 0.125587 Vib (Bot) 29 0.106600D+01 0.027756 0.063911 Vib (Bot) 30 0.105037D+01 0.021342 0.049143 Vib (Bot) 31 0.101300D+01 0.005608 0.012912 Vib (Bot) 32 0.944516D+00 -0.024791 -0.057082 Vib (Bot) 33 0.897868D+00 -0.046787 -0.107732 Vib (Bot) 34 0.881222D+00 -0.054915 -0.126446 Vib (Bot) 35 0.796755D+00 -0.098675 -0.227208 Vib (Bot) 36 0.780977D+00 -0.107362 -0.247210 Vib (Bot) 37 0.772420D+00 -0.112146 -0.258227 Vib (Bot) 38 0.764589D+00 -0.116572 -0.268416 Vib (Bot) 39 0.753105D+00 -0.123144 -0.283550 Vib (Bot) 40 0.691832D+00 -0.159999 -0.368411 Vib (Bot) 41 0.636990D+00 -0.195868 -0.451002 Vib (Bot) 42 0.636635D+00 -0.196110 -0.451559 Vib (Bot) 43 0.604630D+00 -0.218510 -0.503139 Vib (Bot) 44 0.587654D+00 -0.230878 -0.531617 Vib (Bot) 45 0.553458D+00 -0.256915 -0.591569 Vib (Bot) 46 0.532874D+00 -0.273375 -0.629470 Vib (Bot) 47 0.508430D+00 -0.293769 -0.676427 Vib (Bot) 48 0.502547D+00 -0.298823 -0.688066 Vib (Bot) 49 0.472065D+00 -0.325998 -0.750638 Vib (Bot) 50 0.471656D+00 -0.326375 -0.751506 Vib (Bot) 51 0.446951D+00 -0.349741 -0.805307 Vib (Bot) 52 0.440635D+00 -0.355921 -0.819538 Vib (Bot) 53 0.415130D+00 -0.381815 -0.879162 Vib (Bot) 54 0.409451D+00 -0.387798 -0.892939 Vib (Bot) 55 0.398206D+00 -0.399892 -0.920786 Vib (Bot) 56 0.380622D+00 -0.419507 -0.965950 Vib (Bot) 57 0.360300D+00 -0.443336 -1.020818 Vib (Bot) 58 0.359960D+00 -0.443746 -1.021763 Vib (Bot) 59 0.348815D+00 -0.457405 -1.053215 Vib (Bot) 60 0.342309D+00 -0.465582 -1.072042 Vib (Bot) 61 0.328863D+00 -0.482985 -1.112115 Vib (Bot) 62 0.321037D+00 -0.493444 -1.136198 Vib (Bot) 63 0.310390D+00 -0.508092 -1.169925 Vib (Bot) 64 0.292139D+00 -0.534410 -1.230525 Vib (Bot) 65 0.285103D+00 -0.544998 -1.254904 Vib (Bot) 66 0.268362D+00 -0.571279 -1.315418 Vib (Bot) 67 0.263559D+00 -0.579122 -1.333478 Vib (Bot) 68 0.256330D+00 -0.591201 -1.361290 Vib (Bot) 69 0.248506D+00 -0.604663 -1.392288 Vib (Bot) 70 0.236257D+00 -0.626615 -1.442835 Vib (V=0) 0.202173D+19 18.305723 42.150485 Vib (V=0) 1 0.146268D+02 1.165150 2.682856 Vib (V=0) 2 0.102179D+02 1.009361 2.324140 Vib (V=0) 3 0.876199D+01 0.942603 2.170423 Vib (V=0) 4 0.633584D+01 0.801804 1.846223 Vib (V=0) 5 0.494181D+01 0.693886 1.597731 Vib (V=0) 6 0.492481D+01 0.692390 1.594287 Vib (V=0) 7 0.446258D+01 0.649586 1.495726 Vib (V=0) 8 0.428627D+01 0.632080 1.455417 Vib (V=0) 9 0.400514D+01 0.602618 1.387580 Vib (V=0) 10 0.345403D+01 0.538326 1.239543 Vib (V=0) 11 0.316536D+01 0.500423 1.152267 Vib (V=0) 12 0.312461D+01 0.494796 1.139310 Vib (V=0) 13 0.295616D+01 0.470728 1.083891 Vib (V=0) 14 0.276703D+01 0.442014 1.017775 Vib (V=0) 15 0.260812D+01 0.416327 0.958628 Vib (V=0) 16 0.241534D+01 0.382978 0.881839 Vib (V=0) 17 0.234243D+01 0.369667 0.851190 Vib (V=0) 18 0.221108D+01 0.344604 0.793481 Vib (V=0) 19 0.217429D+01 0.337318 0.776702 Vib (V=0) 20 0.214324D+01 0.331070 0.762316 Vib (V=0) 21 0.209724D+01 0.321648 0.740623 Vib (V=0) 22 0.205056D+01 0.311872 0.718112 Vib (V=0) 23 0.200053D+01 0.301145 0.693412 Vib (V=0) 24 0.192691D+01 0.284861 0.655917 Vib (V=0) 25 0.187153D+01 0.272196 0.626755 Vib (V=0) 26 0.180245D+01 0.255864 0.589148 Vib (V=0) 27 0.176360D+01 0.246399 0.567355 Vib (V=0) 28 0.173917D+01 0.240341 0.553406 Vib (V=0) 29 0.167743D+01 0.224645 0.517265 Vib (V=0) 30 0.166330D+01 0.220972 0.508806 Vib (V=0) 31 0.162967D+01 0.212100 0.488379 Vib (V=0) 32 0.156870D+01 0.195539 0.450245 Vib (V=0) 33 0.152770D+01 0.184038 0.423763 Vib (V=0) 34 0.151319D+01 0.179893 0.414219 Vib (V=0) 35 0.144065D+01 0.158558 0.365093 Vib (V=0) 36 0.142732D+01 0.154522 0.355800 Vib (V=0) 37 0.142013D+01 0.152327 0.350746 Vib (V=0) 38 0.141356D+01 0.150315 0.346113 Vib (V=0) 39 0.140397D+01 0.147359 0.339306 Vib (V=0) 40 0.135360D+01 0.131490 0.302767 Vib (V=0) 41 0.130979D+01 0.117201 0.269865 Vib (V=0) 42 0.130951D+01 0.117108 0.269652 Vib (V=0) 43 0.128459D+01 0.108764 0.250438 Vib (V=0) 44 0.127158D+01 0.104344 0.240261 Vib (V=0) 45 0.124587D+01 0.095471 0.219831 Vib (V=0) 46 0.123072D+01 0.090160 0.207601 Vib (V=0) 47 0.121309D+01 0.083894 0.193173 Vib (V=0) 48 0.120891D+01 0.082394 0.189719 Vib (V=0) 49 0.118764D+01 0.074684 0.171966 Vib (V=0) 50 0.118736D+01 0.074581 0.171729 Vib (V=0) 51 0.117065D+01 0.068425 0.157555 Vib (V=0) 52 0.116645D+01 0.066867 0.153967 Vib (V=0) 53 0.114987D+01 0.060649 0.139650 Vib (V=0) 54 0.114626D+01 0.059283 0.136503 Vib (V=0) 55 0.113919D+01 0.056597 0.130320 Vib (V=0) 56 0.112839D+01 0.052459 0.120791 Vib (V=0) 57 0.111629D+01 0.047778 0.110013 Vib (V=0) 58 0.111609D+01 0.047700 0.109834 Vib (V=0) 59 0.110965D+01 0.045186 0.104043 Vib (V=0) 60 0.110595D+01 0.043735 0.100705 Vib (V=0) 61 0.109846D+01 0.040783 0.093906 Vib (V=0) 62 0.109419D+01 0.039094 0.090017 Vib (V=0) 63 0.108851D+01 0.036832 0.084808 Vib (V=0) 64 0.107909D+01 0.033058 0.076118 Vib (V=0) 65 0.107557D+01 0.031640 0.072853 Vib (V=0) 66 0.106747D+01 0.028354 0.065288 Vib (V=0) 67 0.106521D+01 0.027436 0.063173 Vib (V=0) 68 0.106188D+01 0.026074 0.060037 Vib (V=0) 69 0.105835D+01 0.024629 0.056712 Vib (V=0) 70 0.105301D+01 0.022432 0.051650 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.590875D+09 8.771496 20.197115 Rotational 0.454942D+08 7.657956 17.633095 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000001693 -0.000004342 0.000001106 2 6 0.000014841 0.000006040 -0.000014388 3 6 -0.000003231 0.000003665 0.000005213 4 6 -0.000001212 0.000001382 0.000003064 5 6 0.000001182 0.000002249 0.000006295 6 1 -0.000000492 0.000001404 0.000002831 7 1 -0.000000978 0.000002880 0.000003166 8 1 -0.000000018 0.000001725 0.000004130 9 1 -0.000001459 0.000000560 0.000001657 10 8 -0.000004486 0.000009535 0.000009766 11 8 -0.000016828 -0.000003667 0.000002336 12 8 -0.000004624 0.000000525 0.000000622 13 1 -0.000002348 0.000006226 0.000001073 14 8 -0.000000870 0.000005710 0.000004662 15 1 -0.000000810 0.000001994 0.000004174 16 6 0.000000910 -0.000003332 0.000006841 17 8 0.000001139 -0.000003370 0.000002930 18 8 0.000002137 0.000001082 0.000004751 19 6 0.000005759 0.000001284 0.000006902 20 1 0.000002542 0.000001786 0.000006864 21 1 0.000001288 0.000000682 0.000004559 22 1 0.000003382 -0.000001258 0.000006901 23 6 0.000005679 0.000003092 0.000006422 24 6 -0.000012388 0.000009477 -0.000001642 25 6 -0.000001079 -0.000010355 -0.000013132 26 6 0.000000290 -0.000004157 -0.000003000 27 6 0.000005152 -0.000001042 -0.000000694 28 1 -0.000001969 0.000000812 -0.000001307 29 1 0.000000124 -0.000000548 -0.000001841 30 1 -0.000000133 0.000000639 -0.000001319 31 1 -0.000001512 0.000002894 -0.000002031 32 1 0.000002176 -0.000001999 -0.000001215 33 8 0.000000827 -0.000001770 -0.000001598 34 8 0.000009802 -0.000013665 -0.000000077 35 8 0.000005262 0.000003172 0.000003123 36 1 -0.000005976 0.000000645 -0.000004835 37 8 -0.000000411 0.000000769 0.000000416 38 1 0.000000425 -0.000001433 -0.000000972 39 6 -0.000003639 0.000001390 -0.000010309 40 8 -0.000003556 0.000006487 0.000015432 41 8 0.000001220 -0.000000658 0.000004077 42 6 0.000005140 0.000003983 -0.000005477 43 1 -0.000003887 0.000002373 0.000003062 44 1 -0.000002418 0.000003989 0.000008145 45 1 0.000001170 0.000001227 0.000007101 46 6 0.000006841 0.000001118 -0.000005671 47 6 -0.000002869 -0.000003891 -0.000002802 48 6 -0.000004060 -0.000001706 -0.000001599 49 6 -0.000006006 -0.000001889 -0.000007905 50 6 -0.000000526 0.000006797 -0.000002953 51 1 0.000002109 -0.000001005 -0.000002573 52 1 -0.000001830 -0.000001178 -0.000006603 53 1 -0.000001204 0.000001194 -0.000002966 54 1 -0.000000508 -0.000000205 0.000000001 55 1 0.000001085 -0.000003832 -0.000005127 56 8 0.000005116 -0.000004719 -0.000005197 57 8 0.000000595 -0.000000079 -0.000003719 58 1 -0.000001315 -0.000001867 -0.000004032 59 8 0.000000155 0.000000931 -0.000007460 60 1 -0.000001938 -0.000002003 -0.000004703 61 8 -0.000000275 -0.000002885 0.000001602 62 1 -0.000006004 0.000006200 -0.000004111 63 6 0.000010052 -0.000012599 -0.000000584 64 8 0.000009343 0.000009155 -0.000002814 65 8 -0.000008447 -0.000001655 -0.000002658 66 6 0.000005696 -0.000010220 0.000001781 67 1 0.000002572 -0.000004889 -0.000003009 68 1 0.000001799 -0.000003676 -0.000002198 69 1 0.000003188 -0.000005125 0.000000049 70 19 -0.000011386 -0.000000056 0.000001466 ------------------------------------------------------------------- Cartesian Forces: Max 0.000016828 RMS 0.000004884 Z-matrix is all fixed cartesians, so copy forces. Leave Link 716 at Mon Oct 27 14:59:59 2014, MaxMem= 1048576000 cpu: 3.5 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l103.exe) 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 0.00011 0.00016 0.00028 0.00034 Eigenvalues --- 0.00037 0.00047 0.00069 0.00072 0.00085 Eigenvalues --- 0.00118 0.00136 0.00152 0.00159 0.00194 Eigenvalues --- 0.00296 0.00310 0.00337 0.00367 0.00414 Eigenvalues --- 0.00433 0.00456 0.00493 0.00524 0.00563 Eigenvalues --- 0.00582 0.00690 0.00724 0.00791 0.00845 Eigenvalues --- 0.00871 0.00943 0.00970 0.01101 0.01159 Eigenvalues --- 0.01189 0.01302 0.01401 0.01454 0.01571 Eigenvalues --- 0.01721 0.01821 0.01857 0.01896 0.02012 Eigenvalues --- 0.02267 0.02363 0.02422 0.02784 0.02933 Eigenvalues --- 0.03012 0.03242 0.03348 0.03366 0.03503 Eigenvalues --- 0.03773 0.04059 0.04202 0.04385 0.04540 Eigenvalues --- 0.04584 0.04698 0.04813 0.04989 0.05091 Eigenvalues --- 0.05188 0.05310 0.05440 0.05545 0.05630 Eigenvalues --- 0.06102 0.06168 0.06371 0.06557 0.06676 Eigenvalues --- 0.07016 0.07321 0.07387 0.07677 0.07881 Eigenvalues --- 0.08079 0.08281 0.08581 0.08624 0.08838 Eigenvalues --- 0.08959 0.09423 0.09627 0.09758 0.09987 Eigenvalues --- 0.10695 0.10898 0.11083 0.11373 0.11518 Eigenvalues --- 0.11908 0.12115 0.12469 0.12860 0.12916 Eigenvalues --- 0.13049 0.13207 0.13291 0.13508 0.13880 Eigenvalues --- 0.14012 0.14721 0.15164 0.16165 0.16319 Eigenvalues --- 0.17182 0.17640 0.17704 0.19308 0.19680 Eigenvalues --- 0.20234 0.20864 0.21221 0.21623 0.21778 Eigenvalues --- 0.22184 0.22594 0.23490 0.24016 0.24771 Eigenvalues --- 0.25244 0.25666 0.26359 0.27675 0.27892 Eigenvalues --- 0.29112 0.29382 0.29927 0.30974 0.32464 Eigenvalues --- 0.34168 0.36071 0.37215 0.39244 0.40531 Eigenvalues --- 0.43451 0.44844 0.45977 0.46847 0.48067 Eigenvalues --- 0.48842 0.50720 0.51306 0.52442 0.54866 Eigenvalues --- 0.55985 0.58273 0.58607 0.59919 0.60653 Eigenvalues --- 0.62000 0.62755 0.64343 0.65030 0.65875 Eigenvalues --- 0.66148 0.66443 0.67947 0.68379 0.68693 Eigenvalues --- 0.69016 0.72057 0.72255 0.73094 0.75068 Eigenvalues --- 0.76397 0.77016 0.78761 0.79887 0.82842 Eigenvalues --- 0.85941 0.86283 0.86752 0.87817 0.88087 Eigenvalues --- 0.88270 0.88445 0.88818 0.89757 0.90329 Eigenvalues --- 0.90472 0.90757 0.91479 0.92856 0.94879 Eigenvalues --- 0.95950 0.96385 0.97274 1.01347 1.03759 Eigenvalues --- 1.04815 1.05026 1.05792 1.06862 1.08192 Eigenvalues --- 1.36470 1.58575 1.60061 1.74306 Angle between quadratic step and forces= 81.35 degrees. Linear search not attempted -- first point. TrRot= -0.000007 0.000073 -0.000088 0.000000 -0.000011 0.000000 MatCor failed. Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 -8.53673 0.00000 0.00000 -0.00017 -0.00020 -8.53693 Y1 -0.43534 0.00000 0.00000 -0.00023 -0.00016 -0.43550 Z1 2.19288 0.00000 0.00000 -0.00033 -0.00051 2.19237 X2 -6.53103 0.00001 0.00000 0.00016 0.00015 -6.53088 Y2 -3.76757 0.00001 0.00000 0.00001 0.00009 -3.76749 Z2 -0.09188 -0.00001 0.00000 -0.00077 -0.00093 -0.09281 X3 -8.95078 0.00000 0.00000 -0.00017 -0.00016 -8.95094 Y3 -3.97147 0.00000 0.00000 -0.00018 -0.00011 -3.97158 Z3 -1.65566 0.00001 0.00000 -0.00025 -0.00044 -1.65610 X4 -10.04395 0.00000 0.00000 -0.00052 -0.00050 -10.04445 Y4 -1.34249 0.00000 0.00000 -0.00031 -0.00024 -1.34272 Z4 -2.16737 0.00000 0.00000 -0.00012 -0.00032 -2.16769 X5 -10.00939 0.00000 0.00000 -0.00067 -0.00068 -10.01007 Y5 0.19555 0.00000 0.00000 -0.00046 -0.00039 0.19517 Z5 0.22917 0.00001 0.00000 -0.00003 -0.00023 0.22894 X6 -10.32061 0.00000 0.00000 0.00019 0.00019 -10.32042 Y6 -5.02477 0.00000 0.00000 -0.00019 -0.00012 -5.02489 Z6 -0.48141 0.00000 0.00000 0.00017 -0.00003 -0.48144 X7 -8.84357 0.00000 0.00000 -0.00070 -0.00066 -8.84424 Y7 -0.42170 0.00000 0.00000 -0.00004 0.00003 -0.42167 Z7 -3.58530 0.00000 0.00000 -0.00010 -0.00029 -3.58558 X8 -11.06401 0.00000 0.00000 -0.00114 -0.00115 -11.06516 Y8 1.95600 0.00000 0.00000 -0.00073 -0.00066 1.95534 Z8 0.26253 0.00000 0.00000 0.00033 0.00012 0.26265 X9 -5.83033 0.00000 0.00000 0.00020 0.00019 -5.83015 Y9 -5.65186 0.00000 0.00000 0.00006 0.00013 -5.65173 Z9 0.37804 0.00000 0.00000 -0.00065 -0.00080 0.37724 X10 -7.08468 0.00000 0.00000 0.00038 0.00035 -7.08433 Y10 -2.59432 0.00001 0.00000 0.00015 0.00023 -2.59409 Z10 2.31530 0.00001 0.00000 -0.00065 -0.00081 2.31449 X11 -4.70252 -0.00002 0.00000 -0.00006 -0.00006 -4.70257 Y11 -2.30359 0.00000 0.00000 -0.00015 -0.00007 -2.30367 Z11 -1.30959 0.00000 0.00000 -0.00111 -0.00125 -1.31084 X12 -8.35520 0.00000 0.00000 -0.00074 -0.00070 -8.35591 Y12 -5.29889 0.00000 0.00000 -0.00025 -0.00017 -5.29906 Z12 -3.87470 0.00000 0.00000 -0.00036 -0.00054 -3.87524 X13 -9.77172 0.00000 0.00000 -0.00077 -0.00072 -9.77244 Y13 -5.10242 0.00001 0.00000 0.00040 0.00048 -5.10195 Z13 -5.02877 0.00000 0.00000 -0.00023 -0.00042 -5.02919 X14 -12.45740 0.00000 0.00000 -0.00050 -0.00047 -12.45787 Y14 -1.50303 0.00001 0.00000 -0.00067 -0.00060 -1.50362 Z14 -3.33676 0.00000 0.00000 -0.00011 -0.00033 -3.33709 X15 -13.64404 0.00000 0.00000 -0.00039 -0.00038 -13.64441 Y15 -2.21429 0.00000 0.00000 -0.00080 -0.00073 -2.21502 Z15 -2.12760 0.00000 0.00000 -0.00007 -0.00031 -2.12791 X16 -7.88053 0.00000 0.00000 -0.00026 -0.00031 -7.88084 Y16 1.38726 0.00000 0.00000 -0.00013 -0.00005 1.38721 Z16 4.27490 0.00001 0.00000 -0.00038 -0.00055 4.27435 X17 -9.67012 0.00000 0.00000 -0.00021 -0.00028 -9.67040 Y17 2.50679 0.00000 0.00000 -0.00087 -0.00080 2.50599 Z17 5.62942 0.00000 0.00000 0.00024 0.00005 5.62947 X18 -5.66568 0.00000 0.00000 -0.00036 -0.00042 -5.66610 Y18 1.94120 0.00000 0.00000 0.00073 0.00080 1.94200 Z18 4.61641 0.00000 0.00000 -0.00108 -0.00122 4.61518 X19 -12.25504 0.00001 0.00000 0.00019 0.00012 -12.25492 Y19 1.62487 0.00000 0.00000 -0.00184 -0.00177 1.62310 Z19 5.70036 0.00001 0.00000 0.00155 0.00133 5.70168 X20 -13.37711 0.00000 0.00000 -0.00143 -0.00148 -13.37859 Y20 2.63280 0.00000 0.00000 0.00023 0.00030 2.63310 Z20 4.29105 0.00001 0.00000 0.00431 0.00408 4.29513 X21 -12.36297 0.00000 0.00000 0.00044 0.00037 -12.36260 Y21 -0.41025 0.00000 0.00000 -0.00133 -0.00126 -0.41151 Z21 5.38243 0.00000 0.00000 -0.00175 -0.00197 5.38046 X22 -12.93298 0.00000 0.00000 0.00190 0.00181 -12.93116 Y22 2.08816 0.00000 0.00000 -0.00517 -0.00510 2.08307 Z22 7.58914 0.00001 0.00000 0.00299 0.00277 7.59191 X23 -0.53555 0.00001 0.00000 0.00039 0.00042 -0.53513 Y23 -1.36905 0.00000 0.00000 0.00035 0.00043 -1.36862 Z23 -2.92764 0.00001 0.00000 -0.00004 -0.00013 -2.92777 X24 2.72500 -0.00001 0.00000 -0.00011 -0.00012 2.72487 Y24 -1.27077 0.00001 0.00000 0.00045 0.00052 -1.27026 Z24 0.28867 0.00000 0.00000 0.00046 0.00040 0.28907 X25 1.86103 0.00000 0.00000 -0.00026 -0.00028 1.86075 Y25 -3.98983 -0.00001 0.00000 0.00049 0.00057 -3.98926 Z25 0.85671 -0.00001 0.00000 0.00055 0.00048 0.85720 X26 -1.02558 0.00000 0.00000 -0.00030 -0.00032 -1.02590 Y26 -3.96632 0.00000 0.00000 0.00060 0.00067 -3.96565 Z26 1.09841 0.00000 0.00000 0.00000 -0.00010 1.09832 X27 -2.20048 0.00001 0.00000 0.00025 0.00026 -2.20022 Y27 -3.33752 0.00000 0.00000 0.00026 0.00033 -3.33719 Z27 -1.52570 0.00000 0.00000 -0.00030 -0.00041 -1.52611 X28 0.69795 0.00000 0.00000 0.00052 0.00056 0.69850 Y28 -2.38822 0.00000 0.00000 0.00040 0.00047 -2.38775 Z28 -4.23233 0.00000 0.00000 0.00004 -0.00004 -4.23237 X29 2.69854 0.00000 0.00000 -0.00065 -0.00068 2.69786 Y29 -4.57726 0.00000 0.00000 0.00069 0.00077 -4.57649 Z29 2.66194 0.00000 0.00000 0.00080 0.00074 2.66268 X30 -1.64770 0.00000 0.00000 -0.00049 -0.00051 -1.64821 Y30 -5.84839 0.00000 0.00000 0.00072 0.00079 -5.84760 Z30 1.70418 0.00000 0.00000 0.00016 0.00006 1.70424 X31 -2.28887 0.00000 0.00000 0.00079 0.00081 -2.28806 Y31 -5.05344 0.00000 0.00000 0.00017 0.00024 -5.05319 Z31 -2.67367 0.00000 0.00000 -0.00020 -0.00031 -2.67399 X32 2.84524 0.00000 0.00000 -0.00023 -0.00026 2.84498 Y32 -0.21913 0.00000 0.00000 0.00063 0.00070 -0.21843 Z32 2.04804 0.00000 0.00000 0.00036 0.00030 2.04834 X33 0.94791 0.00000 0.00000 0.00019 0.00020 0.94811 Y33 0.08971 0.00000 0.00000 0.00037 0.00044 0.09015 Z33 -1.20231 0.00000 0.00000 0.00009 0.00001 -1.20230 X34 5.11907 0.00001 0.00000 0.00006 0.00006 5.11913 Y34 -1.37596 -0.00001 0.00000 0.00012 0.00019 -1.37577 Z34 -0.86593 0.00000 0.00000 0.00076 0.00073 -0.86520 X35 2.46119 0.00001 0.00000 0.00017 0.00017 2.46137 Y35 -5.71338 0.00000 0.00000 0.00032 0.00040 -5.71299 Z35 -1.10154 0.00000 0.00000 0.00088 0.00082 -1.10072 X36 4.28720 -0.00001 0.00000 0.00017 0.00017 4.28738 Y36 -5.73439 0.00000 0.00000 0.00074 0.00082 -5.73358 Z36 -1.26325 0.00000 0.00000 0.00090 0.00086 -1.26240 X37 -1.62767 0.00000 0.00000 -0.00057 -0.00061 -1.62828 Y37 -2.12682 0.00000 0.00000 0.00091 0.00098 -2.12583 Z37 2.96761 0.00000 0.00000 -0.00039 -0.00050 2.96712 X38 -3.43577 0.00000 0.00000 -0.00061 -0.00065 -3.43642 Y38 -2.19473 0.00000 0.00000 0.00081 0.00088 -2.19384 Z38 3.32396 0.00000 0.00000 -0.00057 -0.00069 3.32327 X39 -2.13072 0.00000 0.00000 0.00054 0.00058 -2.13014 Y39 0.42058 0.00000 0.00000 0.00040 0.00048 0.42105 Z39 -4.53707 -0.00001 0.00000 -0.00014 -0.00025 -4.53732 X40 -2.59398 0.00000 0.00000 0.00046 0.00049 -2.59349 Y40 2.66558 0.00001 0.00000 0.00033 0.00040 2.66598 Z40 -3.39397 0.00002 0.00000 0.00004 -0.00007 -3.39404 X41 -2.89597 0.00000 0.00000 0.00078 0.00085 -2.89513 Y41 -0.14146 0.00000 0.00000 0.00052 0.00060 -0.14087 Z41 -6.60679 0.00000 0.00000 -0.00024 -0.00036 -6.60715 X42 -4.04144 0.00001 0.00000 0.00053 0.00058 -4.04086 Y42 4.42274 0.00000 0.00000 0.00057 0.00064 4.42338 Z42 -4.91170 -0.00001 0.00000 0.00026 0.00013 -4.91158 X43 -3.08389 0.00000 0.00000 -0.00123 -0.00116 -3.08506 Y43 4.77109 0.00000 0.00000 -0.00174 -0.00167 4.76942 Z43 -6.70514 0.00000 0.00000 -0.00110 -0.00123 -6.70637 X44 -5.92525 0.00000 0.00000 -0.00067 -0.00062 -5.92587 Y44 3.66541 0.00000 0.00000 0.00212 0.00219 3.66760 Z44 -5.28362 0.00001 0.00000 0.00312 0.00297 -5.28065 X45 -4.15504 0.00000 0.00000 0.00344 0.00347 -4.15158 Y45 6.15419 0.00000 0.00000 0.00151 0.00158 6.15577 Z45 -3.80092 0.00001 0.00000 -0.00089 -0.00102 -3.80194 X46 7.59881 0.00001 0.00000 0.00034 0.00032 7.59913 Y46 2.40949 0.00000 0.00000 0.00014 0.00022 2.40970 Z46 0.62771 -0.00001 0.00000 -0.00009 -0.00009 0.62762 X47 11.39796 0.00000 0.00000 -0.00004 -0.00005 11.39791 Y47 0.07454 0.00000 0.00000 -0.00040 -0.00033 0.07421 Z47 0.36035 0.00000 0.00000 0.00018 0.00021 0.36056 X48 10.47532 0.00000 0.00000 -0.00020 -0.00018 10.47514 Y48 -1.28182 0.00000 0.00000 -0.00050 -0.00042 -1.28224 Z48 -2.04422 0.00000 0.00000 0.00029 0.00031 -2.04391 X49 8.39605 -0.00001 0.00000 -0.00015 -0.00012 8.39593 Y49 0.23245 0.00000 0.00000 -0.00053 -0.00045 0.23199 Z49 -3.40390 -0.00001 0.00000 0.00016 0.00016 -3.40373 X50 6.29065 0.00000 0.00000 0.00010 0.00011 6.29076 Y50 0.98580 0.00001 0.00000 -0.00002 0.00005 0.98585 Z50 -1.55408 0.00000 0.00000 0.00022 0.00020 -1.55388 X51 8.66320 0.00000 0.00000 0.00061 0.00061 8.66381 Y51 3.96075 0.00000 0.00000 -0.00016 -0.00009 3.96066 Z51 -0.27150 0.00000 0.00000 -0.00029 -0.00028 -0.27178 X52 9.70870 0.00000 0.00000 -0.00032 -0.00031 9.70839 Y52 -3.13243 0.00000 0.00000 -0.00042 -0.00034 -3.13277 Z52 -1.49175 -0.00001 0.00000 0.00036 0.00038 -1.49137 X53 9.24675 0.00000 0.00000 -0.00006 -0.00002 9.24672 Y53 1.95420 0.00000 0.00000 -0.00075 -0.00068 1.95352 Z53 -4.17319 0.00000 0.00000 -0.00026 -0.00025 -4.17344 X54 4.90012 0.00000 0.00000 0.00006 0.00008 4.90020 Y54 2.19642 0.00000 0.00000 -0.00012 -0.00005 2.19637 Z54 -2.48750 0.00000 0.00000 0.00016 0.00013 -2.48737 X55 12.51299 0.00000 0.00000 -0.00018 -0.00021 12.51278 Y55 -1.20142 0.00000 0.00000 -0.00047 -0.00039 -1.20181 Z55 1.55138 -0.00001 0.00000 0.00024 0.00029 1.55167 X56 9.31761 0.00001 0.00000 0.00007 0.00005 9.31765 Y56 0.78193 0.00000 0.00000 0.00001 0.00009 0.78202 Z56 1.89886 -0.00001 0.00000 0.00012 0.00013 1.89899 X57 12.77831 0.00000 0.00000 0.00023 0.00023 12.77854 Y57 2.25266 0.00000 0.00000 -0.00062 -0.00054 2.25212 Z57 -0.27683 0.00000 0.00000 -0.00001 0.00004 -0.27679 X58 13.72451 0.00000 0.00000 0.00002 0.00003 13.72454 Y58 1.83063 0.00000 0.00000 -0.00080 -0.00073 1.82990 Z58 -1.80292 0.00000 0.00000 -0.00009 -0.00003 -1.80295 X59 12.62201 0.00000 0.00000 -0.00019 -0.00016 12.62185 Y59 -1.55834 0.00000 0.00000 -0.00074 -0.00067 -1.55901 Z59 -3.62599 -0.00001 0.00000 0.00032 0.00036 -3.62563 X60 12.00998 0.00000 0.00000 -0.00015 -0.00010 12.00988 Y60 -2.04980 0.00000 0.00000 -0.00135 -0.00128 -2.05108 Z60 -5.28880 0.00000 0.00000 0.00048 0.00052 -5.28828 X61 7.48336 0.00000 0.00000 -0.00051 -0.00046 7.48290 Y61 -1.13028 0.00000 0.00000 -0.00089 -0.00081 -1.13110 Z61 -5.52224 0.00000 0.00000 0.00056 0.00055 -5.52169 X62 6.37742 -0.00001 0.00000 -0.00127 -0.00122 6.37619 Y62 -2.43994 0.00001 0.00000 -0.00007 0.00001 -2.43993 Z62 -4.85958 0.00000 0.00000 0.00090 0.00088 -4.85870 X63 5.88713 0.00001 0.00000 0.00043 0.00040 5.88752 Y63 3.72403 -0.00001 0.00000 0.00069 0.00077 3.72480 Z63 2.56035 0.00000 0.00000 -0.00036 -0.00038 2.55996 X64 6.90015 0.00001 0.00000 0.00062 0.00057 6.90071 Y64 4.80906 0.00001 0.00000 0.00148 0.00155 4.81061 Z64 4.57480 0.00000 0.00000 -0.00085 -0.00086 4.57394 X65 3.60606 -0.00001 0.00000 0.00041 0.00038 3.60644 Y65 3.92173 0.00000 0.00000 0.00068 0.00076 3.92248 Z65 2.22927 0.00000 0.00000 -0.00034 -0.00039 2.22888 X66 9.58880 0.00001 0.00000 0.00062 0.00056 9.58936 Y66 4.98130 -0.00001 0.00000 -0.00005 0.00002 4.98132 Z66 5.09509 0.00000 0.00000 -0.00027 -0.00025 5.09484 X67 10.21924 0.00000 0.00000 -0.00038 -0.00045 10.21878 Y67 3.26127 0.00000 0.00000 -0.00064 -0.00056 3.26071 Z67 6.03460 0.00000 0.00000 -0.00067 -0.00065 6.03395 X68 10.68565 0.00000 0.00000 0.00107 0.00103 10.68668 Y68 5.28634 0.00000 0.00000 -0.00010 -0.00003 5.28631 Z68 3.37777 0.00000 0.00000 0.00000 0.00003 3.37780 X69 9.76042 0.00000 0.00000 0.00118 0.00111 9.76153 Y69 6.60209 -0.00001 0.00000 -0.00051 -0.00043 6.60166 Z69 6.35437 0.00000 0.00000 0.00023 0.00025 6.35462 X70 -1.39468 -0.00001 0.00000 -0.00053 -0.00056 -1.39523 Y70 3.17264 0.00000 0.00000 0.00102 0.00109 3.17373 Z70 2.13560 0.00000 0.00000 -0.00095 -0.00105 2.13455 Item Value Threshold Converged? Maximum Force 0.000017 0.000450 YES RMS Force 0.000005 0.000300 YES Maximum Displacement 0.005097 0.001800 NO RMS Displacement 0.000855 0.001200 YES Predicted change in Energy=-4.400817D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Mon Oct 27 15:00:00 2014, MaxMem= 1048576000 cpu: 2.9 (Enter /ccipl/logiciels/gaussian/g09D01/D01-neha-normal-12.8-p/g09/l9999.exe) 1\1\GINC-SWIIP23\Freq\RB3LYP\6-31G(d)\C21H30K1O18(1+)\DMENDIVE\27-Oct- 2014\0\\#P B3LYP/6-31G* # Freq=HPModes NoSymm\\B3LYP_631g2_Opt_S0_NoSy mm_input0601.dat, no previous checkpoint file, 27/10/2014\\1,1\C,-4.51 7441,-0.23037,1.160424\C,-3.456073,-1.993714,-0.04862\C,-4.73655,-2.10 1614,-0.876137\C,-5.315029,-0.710413,-1.146922\C,-5.296741,0.103483,0. 121269\H,-5.46143,-2.658996,-0.254752\H,-4.679817,-0.223154,-1.897257\ H,-5.854823,1.035071,0.138925\H,-3.085279,-2.990836,0.200049\O,-3.7490 5,-1.372855,1.225205\O,-2.488464,-1.219009,-0.693003\O,-4.421384,-2.80 405,-2.050404\H,-5.170973,-2.700085,-2.661108\O,-6.592171,-0.795367,-1 .765736\H,-7.220114,-1.171753,-1.125879\C,-4.170198,0.734106,2.262181\ O,-5.117205,1.326538,2.978962\O,-2.99815,1.027237,2.442898\C,-6.485086 ,0.859843,3.016499\H,-7.078861,1.393217,2.270724\H,-6.542203,-0.217095 ,2.848261\H,-6.843836,1.105008,4.016002\C,-0.283401,-0.72447,-1.549243 \C,1.442006,-0.672465,0.152758\C,0.984814,-2.111328,0.453352\C,-0.5427 15,-2.098888,0.581255\C,-1.164446,-1.766137,-0.807365\H,0.369337,-1.26 3793,-2.239654\H,1.428007,-2.422181,1.408638\H,-0.871927,-3.094835,0.9 01815\H,-1.211218,-2.674163,-1.414846\H,1.505638,-0.115961,1.083776\O, 0.501614,0.047473,-0.636236\O,2.708894,-0.728127,-0.458231\O,1.302408, -3.023392,-0.582911\H,2.26869,-3.034511,-0.668485\O,-0.861325,-1.12546 3,1.570393\H,-1.818133,-1.161399,1.758966\C,-1.127529,0.222559,-2.4009 13\O,-1.372677,1.410562,-1.796011\O,-1.532483,-0.07486,-3.496161\C,-2. 138636,2.340412,-2.59916\H,-1.631925,2.524752,-3.548207\H,-3.135505,1. 939653,-2.795969\H,-2.198755,3.256656,-2.011361\C,4.021117,1.275045,0. 332172\C,6.031543,0.039443,0.190688\C,5.543303,-0.678311,-1.081753\C,4 .443,0.123005,-1.801264\C,3.328866,0.521663,-0.822383\H,4.584367,2.095 938,-0.14367\H,5.137625,-1.657611,-0.789402\H,4.893168,1.034117,-2.208 359\H,2.59303,1.162293,-1.316327\H,6.621588,-0.635763,0.820957\O,4.930 666,0.413778,1.004831\O,6.761993,1.192056,-0.146492\H,7.262699,0.96872 8,-0.954063\O,6.679282,-0.82464,-1.918792\H,6.355406,-1.084709,-2.7987 14\O,3.960022,-0.598121,-2.922243\H,3.374783,-1.291158,-2.571579\C,3.1 15333,1.970673,1.354877\O,3.651401,2.544846,2.420878\O,1.908245,2.0752 88,1.179679\C,5.074174,2.635991,2.696207\H,5.407787,1.72579,3.193373\H ,5.654605,2.797408,1.787439\H,5.164993,3.493677,3.362589\K,-0.738031,1 .678888,1.130111\\Version=ES64L-G09RevD.01\HF=-2772.0090866\RMSD=9.229 e-09\RMSF=4.884e-06\ZeroPoint=0.5476505\Thermal=0.5888775\Dipole=-2.03 56523,0.7994958,1.4121107\DipoleDeriv=0.5505617,-0.4126569,0.1153578,- 0.7277231,0.5794525,-0.0926192,0.061208,-0.1633553,-0.1714545,1.246262 2,0.0383742,-0.3111958,0.2782122,0.5966092,0.0427641,-0.7599889,0.2715 789,0.7939965,0.1765338,0.0509121,-0.1298598,0.1507707,0.405268,0.2787 594,-0.0873293,0.1327097,0.5210368,0.7877585,0.0485099,0.2822518,0.069 5384,0.2427811,0.1072551,0.2505543,0.0662608,0.435662,-0.3700855,0.036 1719,0.0619025,-0.0953642,-0.1601515,-0.1180993,-0.1457058,0.0730968,- 0.0903425,-0.1399441,-0.050475,0.0958988,-0.0519805,-0.032463,0.020307 1,0.0547499,0.0291176,-0.0883002,0.0063106,-0.0360058,-0.006345,-0.069 3474,0.0064747,-0.034658,0.0127241,0.0187468,-0.084404,0.1049785,0.061 7675,0.0260636,0.0799866,-0.0054575,-0.0452294,-0.0181197,-0.048955,0. 0616968,-0.0312198,0.087134,-0.0018219,0.0236614,-0.0474839,0.0202126, 0.0396646,0.0118777,0.0036489,-0.9709242,0.261649,-0.0257729,0.740325, -0.8358438,-0.1264126,0.33425,-0.2355301,-0.6148141,-1.6820244,-0.0267 402,0.2702507,-0.2653973,-0.4259983,0.1462382,0.4126559,-0.0074938,-0. 4785298,-0.3448569,-0.0431652,0.0875475,-0.0783261,-0.6490786,-0.29502 39,0.0322253,-0.2419981,-0.7324785,0.2005636,0.0295818,-0.0477998,0.06 66587,0.3677522,0.0875504,0.0115716,0.0349062,0.319859,-0.8710331,0.03 89063,-0.3044775,0.0596296,-0.469733,-0.1815146,-0.3221566,-0.1398874, -0.4641072,0.3336444,-0.0191001,0.0527079,-0.0415644,0.2704574,0.09310 35,0.1299183,0.0869221,0.1786732,2.099868,-0.0274445,-0.4487611,-0.219 0068,0.6795673,0.7800624,-0.4004553,0.5381923,1.3853337,-1.4478124,0.1 296906,0.5590468,0.39989,-0.4550049,-0.3939922,0.6560351,-0.2151753,-0 .7177737,-1.6085312,-0.1301046,0.0205445,-0.2495578,-0.5061036,-0.2259 473,-0.0174476,-0.168773,-0.7032204,0.8840043,-0.0290778,-0.2782368,0. 1467974,0.2379409,-0.0788932,-0.0476743,-0.0056877,0.2709172,-0.048446 1,0.0089537,0.0167614,-0.0201183,0.0411459,0.0817457,-0.0981345,0.0729 351,-0.007406,-0.0276203,0.045411,0.0145773,-0.0352796,-0.0699314,-0.0 083089,-0.039941,-0.0313841,0.1014374,0.016428,0.0021303,0.0350135,-0. 0027532,0.089033,-0.0431933,0.0708617,-0.0353487,-0.0359332,0.5564512, 0.1889795,0.1271784,0.4071913,0.1794138,0.2195993,0.3186455,0.1091077, 0.3698554,1.8577309,0.191123,0.0130106,-0.2121755,0.3385031,-0.1844787 ,0.0531365,-0.1617241,0.5827737,0.2740819,-0.1346133,-0.0267619,-0.077 8989,0.4814145,0.1236008,-0.1698642,0.0765026,0.4498221,0.2391696,-0.0 840305,-0.0469655,-0.1288352,0.3805171,0.1484664,-0.1667782,0.1220742, 0.4836363,1.0099131,-0.0414785,-0.1814654,-0.2671486,0.2738991,-0.0136 901,-0.0523239,0.0287409,0.1426389,-0.026381,0.0205741,0.0250884,-0.04 65777,0.0219996,-0.050695,0.0049845,-0.0168806,-0.0077821,-0.0442704,0 .0277227,-0.0653313,0.0382394,-0.0081159,0.0212948,-0.0392957,0.013290 7,-0.1067309,-0.0293783,-0.0747401,0.0192937,-0.046709,-0.109779,0.013 6937,0.0425033,0.0355516,-0.034878,-0.0343177,-0.0329956,0.0075308,0.0 231428,-0.0295767,-0.0332259,0.0230623,-0.02774,-0.0076335,-0.0551325, 0.0008279,-0.0078832,0.1200409,0.0534957,-0.0113818,-0.0176642,-0.0070 316,-0.0816217,-1.3097396,-0.1109322,-0.2660194,0.0128688,-0.5110847,0 .0433707,-0.5638326,0.0192673,-0.6734644,-1.5105726,-0.348286,0.116442 6,-0.521832,-0.6678614,0.0672211,0.4940567,0.1654945,-0.4897037,-0.457 3769,0.1325119,0.1123255,0.116262,-0.7577443,-0.0947162,0.1376922,-0.0 870319,-0.5504491,0.1852331,-0.0146118,-0.013268,-0.0031612,0.4348912, -0.0269745,-0.0472368,-0.0373262,0.2441411,-0.703238,0.1543113,0.11636 68,0.1709604,-0.573491,-0.1504322,0.1532049,-0.08999,-0.7102778,0.5779 216,-0.0789272,0.0194154,-0.1158418,0.238781,-0.0212985,0.00229,-0.056 4223,0.3349222,0.5696342,-0.2978769,0.3012309,-0.3914825,1.3684426,0.0 461119,0.1458713,0.3711286,1.1001133,-0.5068724,0.3837869,-0.1428348,0 .3900363,-1.2769268,0.023461,-0.1192375,-0.0968619,-0.6366771,-0.46384 82,0.0222731,-0.2328106,0.1269503,-0.579937,0.0270629,-0.1545095,-0.20 84684,-0.8495369,0.4223026,-0.2168883,0.1038509,-0.2039223,0.6192941,- 0.1850478,0.1347294,-0.1990062,0.3573548,0.0022726,0.0087093,0.0680346 ,0.0289317,0.0340585,0.0017024,0.0200167,0.0757861,-0.0192861,-0.08256 1,0.0070344,-0.0247046,-0.0579946,-0.0125102,0.0004472,-0.0299814,0.03 97244,0.0555668,0.0585553,0.0154557,-0.0226661,0.036488,-0.061701,-0.0 339489,-0.0046371,-0.101123,0.0018707,0.3169675,-0.0296057,0.1889002,- 0.2501281,0.3574351,0.024991,0.3150178,-0.1593697,0.1164757,1.1602228, -0.0247861,-0.1930168,0.144605,0.7483975,-0.0128593,-0.2664738,0.09541 38,0.6912519,0.5164278,-0.0504013,-0.3328973,-0.0914802,0.2944683,0.07 89859,-0.3065941,-0.0400531,0.2512525,0.3581596,0.0155135,0.1340892,0. 007229,0.2606063,0.1152927,0.0984543,0.1791511,0.5472118,0.5545689,0.2 924305,0.0864454,0.6238304,0.5228336,-0.1060069,-0.1738984,-0.0779686, 0.2396387,0.0446866,-0.0568944,0.0137315,0.0124497,-0.0419322,0.002511 ,-0.0545118,0.0323246,0.0399659,-0.0474517,-0.067508,0.0409549,-0.0969 206,-0.1208343,0.042609,0.0198667,0.0170715,-0.0232455,-0.0238417,-0.0 537631,0.019665,-0.034775,-0.0566255,0.0145747,0.0374598,0.028498,0.01 98679,-0.0287539,0.0566657,-0.036587,-0.0375009,-0.0249771,0.0286444,- 0.0235436,0.0267606,0.0243303,-0.0694913,0.048072,-0.0346902,0.0346728 ,-0.0685252,0.0398767,-0.0454865,0.0539912,-0.0642128,-0.9873992,0.202 1665,0.0924657,0.3001599,-0.5760986,-0.1371842,0.0832162,-0.127333,-0. 5984461,-0.8669561,-0.193995,0.0430013,-0.3395294,-0.6629409,0.0972693 ,0.05815,-0.0040657,-0.4897269,0.4006923,0.0791228,0.0289753,0.0976398 ,0.3052787,-0.004597,0.0249757,0.025384,0.2884582,-0.8184801,0.1250999 ,0.289235,0.1912721,-0.5126299,-0.083316,0.3343433,-0.082246,-0.571365 1,0.3462612,-0.0693535,-0.1150224,-0.0930508,0.304805,-0.0074256,-0.06 32497,-0.0067254,0.2595685,-0.6355234,0.0380275,-0.1430362,0.0629465,- 0.443413,-0.2912442,-0.1331515,-0.2528127,-0.7241345,0.3407994,-0.0556 558,-0.0198523,-0.0835516,0.2104626,0.0847327,-0.0240313,0.1047602,0.2 758661,1.8544604,0.1397087,0.3405952,0.2532849,0.6646859,0.6062928,0.7 270805,0.7076158,1.33938,-1.0358219,-0.2055792,-0.3669463,-0.4404156,- 0.5361631,-0.4658931,-0.8166857,-0.500161,-1.0627372,-1.7472056,-0.151 293,-0.3157055,-0.0050473,-0.5482506,-0.201158,-0.1271364,-0.2043325,- 0.5881619,0.794092,0.1868712,0.3404165,0.0976405,0.3203985,0.0949894,0 .1879801,0.1037927,0.3688325,-0.029875,-0.0383566,-0.0619668,0.0398885 ,-0.0216234,0.0673972,-0.0279446,0.0432938,0.0754161,-0.0216046,-0.031 3263,-0.0513455,-0.0109999,0.1003952,0.0484295,0.0439435,0.0354898,-0. 0483654,0.0186385,0.0135503,-0.012697,-0.0329999,-0.022993,-0.1053687, -0.036305,-0.084927,0.016946,1.2124342,0.0489374,-0.0174233,0.094196,0 .8520252,0.1242072,-0.125774,0.0766292,0.7777821\Polar=339.7711969,-0. 7046205,238.8856495,6.2962751,25.309365,259.2605406\PG=C01 [X(C21H30K1 O18)]\NImag=0\\0.44409395,-0.16708690,0.45727502,0.25770735,0.05512330 ,0.61549401,-0.01355957,0.02061870,0.01705643,0.52841640,0.01441966,-0 .03665327,-0.03195529,-0.07529847,0.63554903,0.02485432,-0.03249483,0. 00704293,0.06390347,-0.05830295,0.39976265,0.00516738,-0.00458541,0.00 029672,-0.15587117,0.00771892,-0.05513315,0.54722301,-0.00367609,0.002 72365,-0.00111227,0.00790225,-0.08854296,0.01118921,0.03114794,0.51328 446,-0.00072820,-0.00188501,-0.00095776,-0.06074192,0.00636300,-0.0907 3611,-0.02177306,-0.01324770,0.56304573,0.00025058,-0.00494271,-0.0197 4550,-0.01774915,0.02765774,-0.01052849,-0.08362413,0.02762158,-0.0011 9692,0.51539806,-0.00845446,0.02195105,0.00272297,0.00722550,0.0146826 5,0.01136545,0.01326054,-0.16211653,0.01791432,0.03081829,0.49588240,- 0.00825911,-0.00657284,-0.02529641,-0.00999269,0.01828662,0.00020625,- 0.00510552,0.03004156,-0.08302287,-0.05127149,-0.03955645,0.54753289,- 0.20290465,0.07477025,-0.18747344,0.00167280,-0.00432093,-0.00818451,0 .00220376,0.00260421,0.01313688,-0.07493418,0.01780117,0.01052054,0.41 893596,0.07866173,-0.12136690,0.05390738,-0.00143593,0.00372479,0.0071 3254,0.00455502,-0.01777824,-0.02935398,0.01063288,-0.12845646,-0.0517 2928,-0.25073179,0.53213173,-0.20846684,0.05735748,-0.34741722,0.00206 594,-0.00149858,-0.00140935,0.00522183,-0.00530271,0.00279155,0.006178 89,-0.04937068,-0.15844338,0.23062196,0.01614583,0.61338644,0.00000284 ,-0.00056151,-0.00020043,-0.01865551,-0.01813429,0.01668629,-0.1525458 3,-0.08283558,0.07345629,0.00568343,0.00871679,-0.00744912,0.00031578, -0.00069752,-0.00006247,0.16744234,0.00011741,-0.00076304,-0.00031274, -0.00023107,-0.00119638,0.00269608,-0.08401070,-0.12127532,0.06684312, -0.02173025,-0.02009197,0.01751811,0.00050917,0.00124802,0.00133920,0. 08661147,0.12982389,-0.00033977,0.00010898,-0.00002058,-0.00937159,-0. 00819007,0.00856190,0.07676859,0.06869536,-0.11211763,0.00577229,0.007 51708,-0.00174561,-0.00099179,0.00027122,-0.00032103,-0.09168340,-0.06 858840,0.13608448,0.00062870,-0.00082352,-0.00117963,0.00103440,-0.000 91910,-0.00116888,0.00848559,0.00613447,-0.00721154,-0.12210333,-0.062 28071,0.09591366,0.00280193,0.00140487,0.00244324,-0.00075644,0.002548 98,-0.00025314,0.15310943,0.00178245,-0.00325634,-0.00116473,-0.001622 44,-0.00117346,-0.00122392,-0.01644734,-0.01811979,0.02475204,-0.06261 226,-0.10231167,0.07610038,0.00927895,0.01049476,-0.01571567,0.0025453 3,-0.00488820,0.00091444,0.07303158,0.11022864,0.00401250,-0.00474364, 0.00040176,0.00155152,0.00008603,-0.00248129,0.00411132,0.00395014,-0. 00507250,0.10823823,0.08600128,-0.17399777,0.01001550,0.00822085,-0.02 522314,-0.00091449,0.00060539,0.00034021,-0.10439831,-0.08545653,0.188 69133,-0.00827853,0.01480451,0.00419096,0.00104023,-0.00035512,0.00057 823,0.00017880,-0.00076926,-0.00067004,0.00181496,-0.00102295,-0.00202 250,-0.11539159,0.13487460,-0.00468089,-0.00006494,0.00023065,-0.00007 105,0.00017572,-0.00016761,-0.00019652,0.11696366,0.00114013,-0.004495 33,-0.00016873,-0.00043842,-0.00007803,0.00029861,-0.00072504,0.001360 44,-0.00354269,0.00837852,-0.01164145,0.00123277,0.13870116,-0.2620052 8,-0.00684579,-0.00011942,0.00003118,0.00018032,0.00003818,0.00006053, -0.00047175,-0.14877391,0.27283923,-0.01123027,0.02295924,0.00343527,- 0.00017771,-0.00071699,-0.00265606,-0.00144622,0.00047445,-0.00460673, 0.01475402,-0.02393364,0.00451166,-0.00358048,-0.01070938,-0.05271526, -0.00002905,-0.00033634,0.00031228,0.00000989,0.00086082,0.00046619,0. 00607083,0.00988063,0.05083463,0.00119025,0.00056274,0.00109485,-0.091 00765,0.09211018,-0.02474643,-0.01111723,0.02721989,-0.00788838,-0.002 02395,-0.00408786,-0.00193390,0.00038902,-0.00047788,-0.00030858,0.000 86246,0.00003164,0.00063632,0.00008223,0.00021860,-0.00006561,-0.00013 428,0.00000737,0.00012243,0.10110513,-0.00147219,0.00121189,-0.0023932 3,0.08249680,-0.26800334,0.05627673,-0.00008549,0.00383009,-0.00044748 ,-0.00072831,0.00012909,-0.00115546,-0.00006571,-0.00011417,0.00001749 ,0.00057037,0.00062648,0.00013175,-0.00000197,0.00008839,-0.00002969,- 0.00010011,-0.00007356,0.00010746,-0.08887541,0.29502848,-0.00210528,- 0.00167088,-0.00462218,-0.02853114,0.06469476,-0.06530591,-0.00828925, 0.01764875,-0.00136400,-0.00205499,-0.00297296,-0.00139300,0.00050704, -0.00064345,-0.00006548,0.00040521,-0.00059961,0.00049899,0.00021855,0 .00010304,0.00016490,-0.00002609,-0.00005183,0.00024750,0.01930289,-0. 06014785,0.07628543,-0.12269036,0.09779779,-0.03672298,-0.06417213,0.0 1903799,-0.00797337,0.00713074,-0.01010761,-0.01752378,-0.00024466,0.0 0184567,0.00679026,-0.02102014,0.03761458,-0.00219032,0.00194825,-0.00 031277,0.00010609,-0.00096074,-0.00010141,-0.00141795,0.00603859,0.004 14340,-0.00735803,-0.00092622,0.00939463,0.01797452,0.22111145,0.09511 199,-0.18574517,0.01842103,0.00677924,-0.09270114,-0.02006011,0.006682 22,-0.00541104,-0.00896078,-0.00449066,-0.01204483,-0.00632060,0.03100 868,-0.02238389,0.01014277,0.00132618,0.00063587,-0.00051007,0.0011143 4,0.00260491,0.00307669,0.00228173,0.00425219,0.00044290,0.00630209,-0 .01516200,-0.03640569,-0.15993111,0.33463753,-0.02307130,-0.00868647,- 0.09693882,-0.03180694,-0.02067640,-0.12839169,0.01256578,-0.02039829, -0.03132503,0.00542120,-0.00195989,0.00016684,-0.01871561,0.02822992,0 .00712199,-0.00084702,-0.00039569,0.00082645,0.00067406,0.00023131,0.0 0033762,-0.00671069,-0.00206865,-0.00090719,0.00143192,-0.00419139,-0. 00277693,0.00813198,0.05146691,0.31041766,0.00614735,-0.00996542,0.003 03270,-0.13938659,-0.06408142,0.02248539,-0.03398254,-0.02459997,0.024 88263,0.00273954,-0.00159151,0.00240362,-0.00208552,0.00147872,-0.0014 9955,-0.00731265,-0.00046854,-0.00531778,-0.00072370,0.00026016,0.0001 6870,-0.00027980,0.00020467,0.00003421,0.00132269,-0.00421491,0.004019 60,-0.02205621,0.00776613,0.04906369,0.44117882,0.00298942,-0.00044391 ,0.00123652,-0.02072627,-0.15396203,0.03520124,-0.00959542,0.00091929, 0.00255977,-0.00012918,-0.00165914,-0.00003415,-0.00050604,0.00079945, -0.00093320,0.00033223,0.00133117,-0.00060592,-0.00001666,0.00067799,- 0.00068621,-0.00007736,0.00008698,0.00003914,-0.03139111,-0.01977186,0 .01996450,0.00212269,0.01928008,0.00773296,-0.00770264,0.26338576,-0.0 0591112,0.01120515,-0.00108540,0.03415201,0.06198809,-0.08468695,0.000 09472,-0.00677183,0.00404843,-0.00003044,0.00008247,-0.00224534,0.0022 8001,-0.00149140,0.00100851,-0.00191331,-0.00011139,-0.00041073,-0.000 34267,-0.00000612,0.00101742,-0.00015829,-0.00006646,0.00048888,0.0121 5722,0.01177571,-0.00354029,0.04309365,0.00155010,-0.04132858,-0.11539 877,-0.08352796,0.18055288,-0.00301558,0.00360345,0.00004588,0.0088796 0,-0.01509144,-0.02194221,-0.10382744,0.01952231,0.00681511,-0.0025446 3,0.00865720,0.01586385,-0.00021013,0.00318426,-0.00129690,0.00003348, 0.01541702,0.02395143,0.00037589,-0.00035499,-0.00053390,0.00022066,0. 00063576,0.00095212,0.00172569,-0.00013187,0.00105926,-0.00353452,-0.0 0571107,-0.00978919,0.00195512,0.00007417,-0.00311449,0.40366205,0.002 44921,-0.00274538,0.00029250,-0.00310226,-0.00417541,-0.01047295,0.038 49974,-0.11060055,-0.05675198,0.00910196,-0.02458172,-0.04051250,0.005 36146,-0.00712028,0.00208797,0.00331976,0.01123900,0.00101703,-0.00118 801,0.00471222,-0.00163936,-0.00016992,-0.00139761,-0.00260457,-0.0011 3804,0.00055407,0.00000927,-0.00109027,0.00433248,0.00162423,-0.000205 85,0.00127210,-0.00036562,-0.09831102,0.14880123,-0.00185820,0.0036289 2,0.00055050,0.00585063,-0.01860886,-0.03216479,0.04584071,-0.08462742 ,-0.20245283,0.00051166,-0.01106133,-0.00852308,0.00074148,-0.00116557 ,0.00223016,0.01257973,-0.01719442,-0.03274486,-0.00041783,-0.00081634 ,0.00177308,0.00005350,-0.00016915,-0.00061692,0.00145741,0.00069625,0 .00173248,-0.00513569,-0.00429355,-0.00605095,-0.00166372,0.00068293,0 .00244609,0.18201788,0.09676209,0.47172778,0.00013338,-0.00048269,-0.0 0026155,-0.00094352,0.00060730,0.00051193,0.00760411,0.00074271,0.0115 2881,0.00319321,0.00247391,0.00243226,-0.00113044,0.00025804,-0.000483 08,-0.00040417,0.00040615,0.00169608,-0.00012381,-0.00069353,-0.000109 70,0.00011112,0.00022343,0.00028096,-0.00000107,-0.00002161,0.00013546 ,0.00055925,0.00069109,0.00093590,0.00018230,-0.00004864,-0.00017854,- 0.30819980,0.04554290,-0.24104278,0.29976391,-0.00127002,0.00200614,0. 00043553,0.00199129,-0.00256740,-0.00240550,-0.01912958,-0.00031981,-0 .01926688,-0.00236316,-0.00093469,-0.00342024,0.00016057,0.00016032,0. 00045695,0.00075643,0.00033875,0.00033159,-0.00017403,-0.00081823,0.00 027288,-0.00006495,0.00010212,0.00022614,-0.00001139,0.00011759,-0.000 15216,-0.00033647,-0.00170245,-0.00223833,0.00017849,-0.00005115,-0.00 017611,0.06797029,-0.02275368,0.03326072,-0.04703392,0.02493479,-0.000 60944,0.00075409,0.00007851,0.00376817,-0.00253065,-0.00388207,-0.0309 6209,0.00017321,-0.03105585,-0.00169414,-0.00076886,0.00182342,-0.0003 0310,0.00085015,-0.00027621,-0.00045372,0.00065306,0.00053479,0.000297 67,-0.00011585,0.00020914,0.00003616,0.00017553,0.00031230,0.00022446, 0.00019087,0.00021549,-0.00091965,-0.00100376,-0.00147206,0.00100377,0 .00044544,0.00038166,-0.19608542,0.00937720,-0.20085769,0.22534753,-0. 00946328,0.23391242,0.00036624,-0.00273330,-0.00117928,0.00178708,0.00 789132,0.00147582,-0.03544171,0.00007890,-0.01729265,-0.20110413,-0.00 358778,-0.07043576,-0.01128569,-0.00383912,-0.01504436,0.00343896,-0.0 0072987,0.00005743,-0.03570806,-0.00335048,-0.01392698,0.00124770,-0.0 0098622,-0.00037294,-0.00215993,-0.00040525,-0.00137240,0.00013799,-0. 00099515,-0.00027382,-0.00205192,-0.00036690,0.00045187,0.00216122,0.0 0062544,0.00005055,-0.00058128,-0.00114186,0.00042701,0.49080804,0.002 78958,-0.00662642,-0.00364385,0.00056135,-0.01021181,-0.00403184,0.031 60704,0.00221192,0.01463446,-0.02066032,-0.06502605,0.00457123,-0.0208 1503,0.00403791,-0.01202479,0.00008914,0.00353676,-0.00157150,-0.01732 718,0.00121025,-0.00773626,0.00047444,0.00218742,0.00271774,0.00161937 ,0.00056399,0.00146624,-0.00261321,0.00530543,0.00217944,0.00090653,0. 00126082,0.00018523,0.00144134,0.00328965,0.00269299,-0.00332249,0.000 90977,0.00198739,0.13090626,0.13278851,0.00276485,-0.00807515,-0.00306 193,0.00128279,0.00302378,-0.00205808,-0.01960670,0.00110179,-0.009721 09,-0.02959111,0.01338651,-0.11039110,-0.04018894,-0.00387957,-0.02174 806,-0.00000330,-0.00219975,0.00077663,0.01779493,0.00115770,0.0118549 0,0.00197353,0.00192253,0.00209603,-0.00091813,-0.00003887,-0.00050838 ,-0.00245665,0.00337487,0.00228714,-0.00128277,-0.00096133,0.00157640, 0.00168801,0.00069586,0.00394490,-0.00153969,0.00216940,0.00047464,-0. 09070614,-0.13464912,0.37000876,-0.00030596,0.00050326,0.00019717,-0.0 0063646,-0.00105946,-0.00030196,0.00104476,-0.00039269,0.00253811,-0.0 3053816,-0.01738244,0.02823998,0.00284044,0.00005278,0.00028120,0.0000 2700,0.00163071,-0.00080945,-0.00570786,0.00008399,-0.00443703,-0.0000 8099,-0.00011076,-0.00023116,0.00026561,0.00005002,0.00017441,0.000533 34,-0.00013347,-0.00000144,0.00105832,0.00046398,-0.00035602,0.0004290 0,-0.00002814,-0.00062119,-0.00052730,0.00028464,0.00057660,-0.2127131 0,-0.10551675,0.15905829,0.24480752,-0.00105184,0.00175725,-0.00012261 ,0.00034366,0.00039862,0.00171777,0.00311300,0.00276664,-0.00278587,-0 .00084379,-0.00367652,0.00237299,0.00058200,0.00029787,0.00199375,-0.0 0056281,-0.00044140,0.00095617,-0.00127803,0.00082259,-0.00084503,-0.0 0042507,-0.00078908,-0.00026015,0.00003574,-0.00003752,-0.00007391,0.0 0072456,-0.00197961,-0.00062188,-0.00045355,-0.00019872,-0.00035367,-0 .00046885,-0.00103118,0.00056779,0.00050307,0.00078954,-0.00053969,-0. 12205166,-0.07681974,0.12132427,0.12171456,0.07831654,-0.00131341,0.00 157379,-0.00076642,-0.00034350,0.00075346,0.00105895,-0.00123978,-0.00 113815,0.00121704,-0.02094001,-0.00880293,0.00924128,0.00019689,-0.000 16189,0.00261573,0.00071153,0.00030913,-0.00022745,-0.00311942,-0.0003 7862,0.00047390,-0.00015053,-0.00040842,0.00006052,-0.00009769,-0.0000 3451,-0.00013590,0.00077333,-0.00153094,-0.00033272,0.00004213,0.00009 528,-0.00029430,0.00006761,-0.00038348,-0.00087822,0.00071346,0.000292 43,-0.00025730,0.20876155,0.13292447,-0.24487012,-0.18424983,-0.123099 19,0.23352734,-0.06782596,-0.01809392,-0.01873897,0.00207826,0.0075534 5,-0.00403830,0.00033506,0.00004081,-0.00010703,0.00684277,0.00628196, -0.00553550,-0.00559821,-0.01138046,-0.01512702,-0.00030653,-0.0002339 9,0.00014378,-0.00004924,-0.00142769,-0.00118886,-0.00343203,-0.001657 05,-0.00024961,-0.00055320,0.00069051,0.00178443,-0.00725262,0.0189758 3,0.01792896,-0.00320003,-0.00258958,-0.00019484,-0.00069096,0.0003944 3,0.00064928,0.00014910,-0.00010492,-0.00017443,-0.00050589,0.00110684 ,0.00176833,-0.00010716,-0.00043743,-0.00010017,0.94629043,-0.00362407 ,-0.12836564,-0.05593118,0.00164128,-0.00249732,0.00105539,0.00040803, -0.00189257,-0.00017770,0.00542514,-0.00283051,-0.00307325,-0.00832749 ,0.01674328,0.00883252,-0.00014190,-0.00000895,0.00003041,0.00028603,0 .00035854,0.00055130,-0.00104442,-0.00133796,0.00149965,-0.00030209,-0 .00007170,-0.00044847,0.00427861,-0.02986453,-0.02403979,-0.00257115,0 .00020155,0.00087789,-0.00065668,0.00163442,0.00092961,0.00005660,-0.0 0060474,-0.00041417,0.00266184,0.00266312,0.00467328,-0.00099781,-0.00 048219,-0.00028087,0.09125152,0.41819035,-0.01204993,-0.05101845,-0.13 673045,0.00280235,-0.00036920,-0.00326897,-0.00007242,-0.00207999,0.00 006916,-0.00834528,-0.00413246,0.00192799,-0.01213941,-0.00936734,-0.0 2142297,0.00005953,0.00004722,-0.00013602,0.00134308,0.00210745,0.0019 7111,0.00157941,0.00101016,0.00035311,-0.00036113,0.00036201,0.0006451 2,0.00034814,-0.00335118,0.00395689,-0.00475843,-0.00040922,0.00133047 ,-0.00044614,0.00213110,0.00123727,-0.00002119,-0.00079000,-0.00042177 ,0.00116033,0.00109517,0.00069748,-0.00062668,-0.00038128,-0.00075086, 0.02726005,0.19634942,0.40565162,0.00189912,0.00143676,0.00648917,-0.0 0003500,-0.00099082,-0.00075080,-0.00049856,-0.00065977,0.00027550,-0. 00059926,-0.00105311,-0.00074309,-0.00053436,0.00307115,0.00107089,0.0 0017003,0.00013765,-0.00006096,0.00019064,0.00030032,0.00025434,-0.000 99788,-0.00057247,0.00113999,-0.00006715,0.00006526,0.00005430,0.00196 708,-0.00047911,0.00049510,0.00013377,0.00065675,0.00038632,0.00025531 ,0.00050328,0.00026396,-0.00008619,-0.00018428,-0.00004971,0.00141877, 0.00036325,0.00109176,-0.00048962,0.00015720,0.00008038,-0.19126483,0. 08047678,0.09881629,0.54532952,0.01507007,-0.00071830,-0.01963620,-0.0 0075932,-0.00081194,0.00188076,0.00027021,0.00051480,0.00030408,-0.001 67657,0.00073802,0.00119908,0.00098683,-0.00450663,-0.00115773,0.00001 394,0.00002951,-0.00003744,-0.00008204,-0.00008176,-0.00011236,0.00031 147,0.00088519,-0.00109942,0.00020712,-0.00023160,-0.00046207,0.001080 13,-0.00239167,-0.00441923,0.00103530,0.00009501,-0.00050011,-0.000026 85,-0.00040345,-0.00052585,0.00001053,0.00014169,0.00011471,-0.0010001 7,-0.00064097,-0.00150199,0.00039821,0.00004825,0.00012422,0.04799206, -0.14338182,-0.09573733,-0.02000200,0.20971434,0.02003866,-0.02038942, -0.00320189,-0.00128518,-0.00094733,0.00366701,0.00060296,0.00060664,- 0.00001738,0.00052787,0.00053853,0.00109278,-0.00041041,-0.00108912,0. 00036384,-0.00006656,-0.00005846,0.00001884,-0.00018799,-0.00023052,-0 .00024489,0.00068734,0.00045333,-0.00067014,0.00023457,-0.00033179,-0. 00079123,0.00080782,-0.00481496,-0.00855722,0.00152177,0.00028479,-0.0 0077726,-0.00019318,-0.00061354,-0.00068421,0.00006343,0.00019370,0.00 009627,-0.00103934,-0.00035702,-0.00098339,0.00037430,0.00003258,0.000 09558,0.07458027,-0.10405393,-0.15099234,-0.14153612,0.13159778,0.1996 7367,-0.03778413,-0.01243633,-0.02512583,-0.00304945,-0.00143163,0.002 06442,-0.00084625,0.00117845,0.00023613,0.00046771,0.00251184,0.000617 61,0.00641195,-0.00523350,0.00062935,0.00026423,0.00008227,0.00002745, -0.00048636,-0.00072850,-0.00095070,-0.00039819,-0.00044831,0.00088646 ,0.00031643,-0.00015532,-0.00036971,0.00645159,-0.00154018,0.00107326, 0.00368582,0.00155839,-0.00018152,0.00090399,-0.00117192,-0.00062780,- 0.00012533,0.00044660,0.00030270,-0.00030467,-0.00143277,-0.00143114,0 .00017444,0.00060881,0.00049913,-0.63069491,-0.16052385,-0.09956143,-0 .10417975,0.01162611,0.02807163,0.76518888,-0.03101663,0.00314299,-0.0 1423577,-0.00238977,0.00102264,0.00260639,0.00015228,0.00067128,0.0000 6864,0.00042150,0.00246161,0.00036544,0.00168667,-0.00566196,-0.004574 87,0.00010626,0.00001488,0.00002474,-0.00019531,-0.00059966,-0.0007266 7,-0.00050225,-0.00011476,0.00029125,0.00016163,-0.00005309,-0.0001047 3,-0.00227614,0.00012121,-0.00196028,0.00196705,0.00054368,-0.00093150 ,0.00009481,-0.00067046,-0.00070511,-0.00000276,0.00020538,0.00015700, -0.00092573,-0.00066898,-0.00121302,0.00029757,0.00023232,0.00023447,- 0.15415646,-0.13200680,-0.04230057,0.02120360,0.02477997,0.00762524,0. 16593267,0.10580357,-0.03425250,-0.01925446,-0.00249222,-0.00102046,0. 00078040,0.00104700,-0.00021880,0.00096613,0.00007677,0.00351779,0.002 85812,-0.00119611,0.00063743,-0.00370631,0.00265464,0.00001141,-0.0000 1552,0.00005127,-0.00050754,-0.00101216,-0.00099663,-0.00080125,-0.000 52302,0.00003312,0.00013124,-0.00011536,-0.00007179,-0.00010331,-0.001 58717,-0.00066484,0.00149411,-0.00036783,-0.00055689,0.00024429,-0.000 90408,-0.00047344,0.00002389,0.00033949,0.00018501,-0.00057007,-0.0005 1445,-0.00037270,0.00022375,0.00021414,0.00036158,-0.10378166,-0.04040 706,-0.09825364,0.03826711,0.00757799,0.01364830,0.08975624,0.05896915 ,0.08881748,0.00287822,0.00164504,0.00039080,-0.00041695,-0.00009881,0 .00117547,0.00036412,0.00045836,-0.00016178,0.00003627,0.00062185,0.00 094737,-0.00191407,-0.00275317,-0.00012929,-0.00008521,-0.00007576,0.0 0003007,-0.00013728,-0.00014794,-0.00014465,0.00146344,0.00082073,-0.0 0048457,0.00011256,-0.00013217,-0.00025325,-0.00014644,-0.00137270,-0. 00251683,0.00039177,-0.00010964,-0.00031293,-0.00013859,-0.00039617,-0 .00028726,0.00006055,0.00013031,0.00004550,-0.00107762,-0.00025588,-0. 00093146,0.00037785,-0.00014472,-0.00003347,-0.04728928,0.00379075,0.0 1336320,-0.17090048,-0.03489484,0.00331627,0.01206077,-0.00021636,0.00 017067,0.44428864,0.00235053,-0.00008350,-0.00157038,0.00020018,-0.000 02297,0.00002136,0.00023138,0.00020578,-0.00045451,0.00008098,-0.00023 551,0.00044462,-0.00032087,0.00020285,-0.00074441,-0.00011336,-0.00012 299,0.00004929,0.00000121,0.00004134,0.00008713,0.00038761,-0.00016375 ,0.00028513,0.00004885,-0.00004577,-0.00006838,0.00017115,-0.00112084, -0.00033992,-0.00018032,-0.00013143,0.00006219,-0.00007442,-0.00018250 ,0.00011649,0.00001245,0.00006717,-0.00002211,-0.00013240,-0.00021242, -0.00018611,0.00001589,0.00011979,-0.00011980,0.00876397,0.00614899,0. 01104440,-0.05216225,-0.09146835,-0.01153535,0.00754722,0.00197177,-0. 00531807,-0.05985944,0.60110271,0.00160606,-0.00054351,-0.00355236,0.0 0020432,0.00002796,-0.00044662,-0.00003627,0.00000242,0.00000981,0.000 22914,0.00017129,-0.00018587,0.00257036,-0.00036268,-0.00144178,-0.000 00619,-0.00000557,-0.00000077,-0.00004804,-0.00008629,-0.00010012,0.00 028249,-0.00048037,-0.00087776,-0.00002094,0.00002932,0.00006806,-0.00 061766,0.00084286,0.00078382,-0.00024438,-0.00004737,0.00013873,0.0000 0022,0.00007430,0.00009295,0.00000088,-0.00002263,-0.00001493,-0.00007 738,0.00007364,0.00007850,0.00000801,-0.00009464,-0.00003469,0.0194376 0,0.01199685,-0.01003983,-0.00662895,-0.01418227,-0.06547675,0.0013707 6,-0.00478415,0.00393361,0.00392742,0.01458440,0.61807994,-0.00069879, 0.00026025,0.00007577,-0.00000609,0.00006161,-0.00001264,-0.00008879,0 .00001951,-0.00008587,0.00018394,-0.00027639,0.00018478,-0.00012145,0. 00075682,-0.00012988,0.00001307,-0.00000428,0.00000782,0.00001816,0.00 004023,0.00002147,-0.00015218,-0.00023716,0.00056518,-0.00000140,0.000 01009,0.00001970,0.00037291,-0.00010399,0.00034101,0.00005108,0.000035 67,-0.00000820,0.00004652,-0.00006105,-0.00000961,0.00000206,0.0000085 7,0.00001173,0.00004254,-0.00000245,0.00004819,0.00000191,0.00003778,0 .00001253,0.00347184,-0.00273104,-0.00892002,-0.03559107,0.01210724,-0 .01503893,-0.00326618,-0.00043916,0.00264068,-0.11712189,0.06935955,-0 .09258008,0.14074578,0.00050748,-0.00052499,0.00071784,0.00009370,-0.0 0008708,-0.00018419,-0.00001668,-0.00008045,0.00005120,-0.00007904,-0. 00008178,-0.00016824,-0.00057609,-0.00009901,0.00014662,0.00000972,0.0 0000574,0.00000010,-0.00001476,0.00002890,0.00004269,0.00028017,0.0006 5661,-0.00033631,-0.00002567,0.00001468,0.00002125,-0.00033353,0.00070 081,-0.00005284,-0.00015691,-0.00000082,0.00007364,-0.00002354,0.00010 846,0.00004479,0.00000755,-0.00003864,-0.00002294,-0.00004715,0.000117 00,0.00007629,0.00001668,-0.00014368,-0.00008759,0.00103742,0.00008096 ,-0.00176694,-0.01114784,0.00904462,-0.00913312,-0.00117173,-0.0005002 1,0.00058157,0.07374280,-0.12543009,0.09680381,-0.07391319,0.12369241, -0.00008552,-0.00008910,-0.00015797,0.00005243,-0.00000729,-0.00008937 ,0.00000030,-0.00005605,0.00003240,0.00001612,0.00006082,-0.00011155,0 .00050239,-0.00014033,-0.00033404,0.00000195,0.00000350,-0.00000520,0. 00000165,-0.00000525,0.00000861,0.00030883,-0.00030505,-0.00041702,-0. 00000675,0.00000456,0.00000666,-0.00007435,0.00003945,0.00012541,-0.00 005661,-0.00000370,0.00003514,-0.00001177,0.00005478,0.00003549,-0.000 00141,-0.00001993,-0.00001327,0.00003078,0.00005164,0.00007429,-0.0000 2627,-0.00004196,-0.00002331,0.00178539,-0.00091010,0.00035679,0.00151 077,-0.00462549,0.00797123,-0.00034616,0.00031875,-0.00039705,-0.09856 256,0.09655034,-0.18632080,0.10581274,-0.10355388,0.19222521,-0.000716 39,0.00032085,0.00053928,-0.00008860,0.00005626,0.00004447,-0.00003537 ,0.00004049,-0.00001528,-0.00002506,-0.00010715,0.00010293,-0.00021238 ,0.00018850,0.00068114,0.00001341,0.00000381,0.00000936,-0.00003447,0. 00000306,0.00000429,0.00012960,0.00017616,-0.00008124,0.00000124,0.000 00777,0.00001562,-0.00006070,0.00046593,0.00021371,0.00007357,0.000012 32,-0.00001752,0.00001806,-0.00003410,-0.00001866,0.00000517,0.0000110 9,0.00000300,-0.00004023,-0.00004047,-0.00005773,0.00003908,0.00000554 ,-0.00002829,0.00595221,-0.00568822,-0.00396883,-0.01811473,-0.0371108 0,-0.00240358,-0.00208371,0.00102376,0.00035669,-0.05230708,0.00371810 ,0.00009105,0.00348068,0.01627758,0.00440103,0.06179541,-0.00015746,0. 00054875,-0.00044879,-0.00006592,0.00007036,0.00006945,-0.00002208,0.0 0004338,0.00001582,0.00027805,0.00025469,-0.00004544,0.00112411,0.0001 5812,-0.00032931,0.00000646,0.00000428,-0.00000164,-0.00002483,-0.0000 8621,-0.00011178,-0.00021954,-0.00038806,0.00018306,0.00000771,-0.0000 0104,0.00000537,0.00012429,-0.00010447,0.00012799,0.00012198,0.0000194 2,-0.00004507,0.00002267,-0.00004102,-0.00001853,-0.00000259,0.0000177 6,0.00001318,0.00001364,-0.00003006,0.00002359,-0.00001522,0.00005638, 0.00005306,0.00355097,-0.00109774,-0.00294128,-0.01014001,-0.00483242, 0.00017748,-0.00098062,0.00033783,0.00051334,-0.00575297,-0.32037471,- 0.04050367,0.00044367,-0.01286632,-0.00409271,0.01058951,0.34229494,0. 00143418,-0.00078499,0.00026266,0.00019050,-0.00006549,-0.00023476,0.0 0007428,-0.00010390,-0.00007131,0.00003788,-0.00006325,-0.00027665,-0. 00019631,-0.00011194,-0.00091354,-0.00002784,-0.00002828,0.00001140,0. 00003305,0.00002448,0.00004853,-0.00016865,0.00028174,-0.00001475,-0.0 0003495,0.00002107,0.00002888,-0.00027111,0.00053114,-0.00004908,-0.00 025995,-0.00001198,0.00008924,-0.00005536,0.00013160,0.00012030,-0.000 00006,-0.00004648,-0.00003577,0.00007083,0.00011788,0.00014179,-0.0000 5266,-0.00007254,-0.00010728,0.00024038,0.00177118,0.00174591,-0.00016 614,0.00048474,-0.00028229,0.00054537,-0.00013145,-0.00042844,-0.00210 873,-0.04267497,-0.05921682,0.00111279,0.02306312,0.00530339,0.0007232 2,0.04746417,0.05482114,-0.00022696,0.00035990,-0.00019197,0.00002641, 0.00003060,-0.00005179,-0.00004522,-0.00001401,-0.00001799,0.00007115, -0.00009236,0.00006224,0.00011024,0.00034502,-0.00017013,0.00000976,0. 00000457,0.00000055,0.00001781,0.00001965,0.00000836,-0.00010265,-0.00 027898,0.00016622,-0.00000563,0.00001093,0.00002212,0.00020589,0.00000 881,0.00022118,0.00000411,0.00002145,0.00000143,0.00002285,-0.00000778 ,0.00000457,-0.00000158,-0.00000189,0.00000395,0.00006622,-0.00000013, 0.00004913,-0.00001564,0.00004096,0.00001701,0.00018028,-0.00571244,-0 .00008908,-0.03084749,0.00627664,0.03379794,-0.00299250,0.00101456,0.0 0016719,-0.06891170,0.02017319,0.07029807,0.00846954,-0.00466128,-0.01 536349,0.00209120,0.00110403,-0.00131773,0.09171894,-0.00030714,0.0004 5905,-0.00108117,-0.00007474,0.00005231,0.00001852,-0.00004721,0.00003 637,0.00006761,0.00008113,0.00019296,0.00000151,0.00078457,-0.00022749 ,0.00021700,0.00001447,0.00001917,-0.00000318,-0.00003629,-0.00005655, -0.00006960,-0.00005944,0.00002541,-0.00006786,0.00000716,0.00000049,0 .00000904,0.00006504,0.00005744,0.00017938,0.00009571,-0.00000074,-0.0 0002103,0.00002888,-0.00003769,-0.00003689,0.00000090,0.00001838,0.000 01222,-0.00003702,-0.00003422,-0.00003735,0.00002393,0.00000204,0.0000 3951,0.00090040,-0.00205973,0.00002675,-0.01089287,0.00376914,0.011960 60,-0.00148799,0.00031283,-0.00010112,0.02482212,-0.07038533,-0.063466 58,-0.00536871,0.00538726,0.01675713,0.01012947,-0.00392830,-0.0298014 6,-0.01862571,0.06639961,-0.00025774,0.00047109,-0.00031108,-0.0000943 6,0.00006767,0.00015036,-0.00000926,0.00006090,-0.00003434,0.00016486, 0.00004344,0.00012048,0.00020632,0.00002610,-0.00014518,0.00000267,-0. 00000288,0.00000402,-0.00000699,-0.00003189,-0.00003478,-0.00005991,-0 .00025153,0.00017244,0.00001321,-0.00000623,-0.00001033,0.00023336,-0. 00033162,0.00002277,0.00011417,0.00001010,-0.00005990,0.00001645,-0.00 008509,-0.00004895,0.00000362,0.00002430,0.00001707,-0.00004012,-0.000 05713,-0.00005845,0.00002272,0.00005260,0.00003199,-0.00198627,0.00061 140,0.00067928,0.00196608,0.00041606,0.00547975,0.00002154,0.00020751, -0.00000462,0.08170426,-0.06033590,-0.29561636,0.00608745,-0.00631437, -0.01824910,-0.00046354,-0.00002761,-0.00102086,-0.08751471,0.06547077 ,0.30890997,-0.00011129,0.00002433,-0.00007339,-0.00390419,0.00192510, 0.00016086,-0.00048785,-0.00052242,0.00101761,-0.00027687,-0.00007308, 0.00021383,0.00016088,0.00000587,-0.00004462,-0.00012333,0.00003734,-0 .00021697,-0.00019297,0.00011617,-0.00013713,0.00000520,-0.00002716,0. 00000061,-0.00001207,-0.00003720,0.00001257,-0.00001777,-0.00028998,0. 00018531,-0.03127149,-0.01915883,0.01813172,0.00044570,0.00010434,-0.0 0030029,-0.00006100,-0.00010867,-0.00005262,0.00029316,-0.00004410,-0. 00006031,-0.00003409,0.00003159,0.00000927,0.00027305,0.00038054,0.000 59079,-0.00000402,-0.00012345,-0.00015715,-0.00048947,-0.00042929,-0.0 0021505,-0.00003731,0.00001793,0.00002202,-0.00000936,0.00001691,0.000 00793,-0.00000977,-0.00001642,0.00002732,0.00000117,-0.00000896,-0.000 01378,0.49825800,-0.00058992,0.00073463,-0.00022232,0.00221410,-0.0013 5934,0.00246069,0.00030649,0.00050843,-0.00084312,-0.00028437,0.000207 80,-0.00009260,0.00019071,-0.00015597,0.00017461,0.00043097,0.00003646 ,0.00018083,-0.00006756,0.00002680,-0.00002418,0.00003953,-0.00002688, -0.00001104,0.00024366,0.00022991,-0.00025618,0.00077689,-0.00082700,- 0.00159773,0.00990606,0.01295967,-0.00823922,0.00010906,0.00004054,0.0 0006044,-0.00005056,0.00000470,-0.00005614,0.00026186,-0.00018761,0.00 006359,-0.00009649,0.00005941,-0.00000049,0.00060139,0.00039784,0.0005 8352,-0.00012506,-0.00010926,-0.00013940,-0.00068441,-0.00039232,-0.00 019975,0.00000069,0.00003084,0.00002871,-0.00001637,0.00001741,0.00000 448,-0.00001416,-0.00001797,0.00003167,-0.00000405,-0.00001268,-0.0000 1349,-0.08985870,0.49339496,-0.00010926,0.00018142,-0.00015864,-0.0001 9448,-0.00056557,0.00195058,0.00010369,0.00019182,-0.00032249,-0.00016 541,0.00008471,0.00015760,0.00005173,-0.00007768,0.00004499,0.00017020 ,0.00001521,0.00006048,-0.00003401,-0.00000961,-0.00008686,0.00001684, -0.00001197,-0.00000055,0.00011329,0.00015428,-0.00024842,0.00003656,- 0.00034874,-0.00112140,0.01313696,0.00305382,-0.00519969,0.00003753,0. 00007816,-0.00019640,-0.00009040,-0.00001752,0.00004290,0.00013380,-0. 00007783,-0.00006979,-0.00002183,0.00003914,0.00001889,0.00093326,0.00 028458,0.00042403,-0.00034744,0.00001091,0.00002405,-0.00095293,-0.000 28567,-0.00012534,0.00009749,0.00003835,0.00001999,-0.00002875,0.00000 405,-0.00000456,-0.00002028,-0.00001658,0.00001904,-0.00001295,-0.0000 1336,-0.00000524,-0.03163866,0.04295167,0.51989681,-0.00077849,0.00094 791,-0.00012381,-0.00237769,-0.00157569,0.00228145,-0.00014845,-0.0000 8713,-0.00035849,-0.00067982,-0.00000506,-0.00013614,0.00036598,-0.000 01591,0.00011586,0.00030098,0.00006366,0.00005349,-0.00010011,0.000077 95,-0.00009620,-0.00003494,-0.00005214,0.00003061,0.00009914,0.0001919 2,-0.00010833,0.00154072,-0.00094769,-0.00106733,0.00360230,0.00180809 ,-0.00143956,0.00038685,0.00032504,0.00020678,-0.00008097,-0.00015727, -0.00013820,0.00067319,-0.00005775,0.00023379,-0.00018195,0.00001965,- 0.00005967,-0.00155100,0.00055855,0.00100797,0.00106387,-0.00052067,-0 .00075580,0.00110390,-0.00011502,-0.00058785,-0.00049326,-0.00008829,0 .00008441,0.00004708,0.00006140,0.00004011,0.00002384,-0.00000221,0.00 006570,0.00004475,-0.00000427,-0.00004267,-0.02680657,-0.00391608,-0.0 2613087,0.42209912,-0.00029428,0.00044410,-0.00000012,-0.00033799,0.00 047521,-0.00027436,-0.00003438,-0.00014969,-0.00009101,0.00011578,0.00 015590,-0.00007593,0.00004991,-0.00015422,0.00005404,-0.00003853,-0.00 001495,0.00002083,0.00002893,0.00000458,0.00003861,0.00003408,-0.00000 454,0.00000368,-0.00017288,-0.00023393,-0.00004226,0.00029418,-0.00038 389,0.00019382,0.00110283,-0.00155728,0.00189085,-0.00005145,-0.000110 23,0.00014936,0.00004043,0.00006861,-0.00003125,-0.00001340,-0.0000862 4,0.00004614,-0.00000946,0.00001139,0.00000361,0.00045126,0.00007798,- 0.00005866,-0.00023239,0.00003771,0.00008168,-0.00040250,-0.00040319,0 .00016767,0.00009253,0.00005667,-0.00002045,-0.00001309,-0.00000986,-0 .00000114,-0.00001143,-0.00000954,-0.00001052,-0.00001032,0.00000402,0 .00000295,-0.00555965,0.02293991,-0.00097008,0.05012649,0.54885812,0.0 0011885,-0.00026817,-0.00010012,-0.00033920,-0.00028110,0.00110127,0.0 0004488,0.00010185,0.00000645,-0.00011330,-0.00000358,0.00014999,-0.00 000264,0.00004520,-0.00004731,0.00009107,0.00002536,-0.00000701,-0.000 04820,-0.00001751,-0.00007558,-0.00000475,-0.00000412,-0.00000546,0.00 009292,0.00010719,-0.00000396,-0.00036243,-0.00000737,-0.00067219,0.00 072960,0.00125716,-0.00174328,0.00009583,0.00003489,-0.00017344,-0.000 03980,-0.00004485,0.00002194,0.00005543,-0.00002190,-0.00009314,0.0000 0020,0.00002321,0.00001976,0.00058326,0.00015852,0.00037161,-0.0002219 9,0.00000821,0.00000729,-0.00060672,0.00005503,-0.00034637,0.00007542, 0.00000122,0.00002873,-0.00001881,0.00000667,-0.00000901,-0.00001153,- 0.00000852,0.00001942,-0.00000472,-0.00001472,-0.00000205,-0.02527965, 0.00703639,-0.03022381,-0.00967627,0.09071525,0.60953332,-0.00049003,0 .00066707,0.00000494,-0.00021839,-0.00001961,-0.00016872,-0.00017894,- 0.00029852,-0.00020084,-0.00011048,0.00006453,-0.00011005,0.00015715,- 0.00010107,0.00007648,0.00004438,0.00000605,0.00001568,0.00000200,0.00 003260,0.00001773,0.00000413,-0.00001968,0.00002372,-0.00006061,-0.000 20815,-0.00000104,0.00092442,-0.00040718,0.00005446,0.00119516,-0.0007 2464,-0.00022574,0.00007793,0.00010849,0.00024164,0.00000718,-0.000031 46,-0.00006593,0.00021259,-0.00004611,0.00014505,-0.00006689,-0.000005 12,-0.00002734,-0.00061452,0.00016433,0.00023656,0.00037780,-0.0001647 0,-0.00026710,0.00047163,-0.00032944,-0.00003393,-0.00016237,-0.000016 88,0.00001121,0.00001741,0.00001717,0.00001372,0.00000840,-0.00000036, 0.00001654,0.00001781,0.00000227,-0.00001247,0.00280350,0.00098285,0.0 0128186,-0.08091190,-0.01837250,0.00253860,0.54110349,0.00005889,-0.00 006100,0.00000530,-0.00029041,-0.00100606,0.00028374,0.00005209,0.0004 8282,0.00011718,0.00001552,-0.00009673,-0.00002622,-0.00002213,-0.0000 1599,0.00000015,0.00001854,-0.00000797,0.00000343,-0.00000023,0.000012 01,-0.00001099,0.00000549,0.00000068,-0.00000837,0.00017475,0.00051011 ,0.00008061,0.00028127,0.00028936,0.00006293,0.00193038,-0.00136570,0. 00102745,0.00002589,-0.00014750,-0.00016142,-0.00000328,0.00004989,0.0 0002863,-0.00012583,0.00001777,-0.00007566,0.00002653,0.00001423,0.000 01557,0.00013588,-0.00002328,-0.00004680,-0.00012676,0.00005496,0.0000 6881,-0.00013186,-0.00020727,0.00003403,0.00007823,0.00002114,-0.00001 522,-0.00000781,-0.00000491,-0.00000462,-0.00000280,-0.00000377,-0.000 00619,-0.00000238,0.00000197,0.00000455,0.00007652,0.00010439,0.002556 73,-0.02967431,-0.15348393,0.02938320,-0.03090915,0.48443941,0.0002173 7,-0.00024844,0.00006187,0.00224119,0.00129042,-0.00175815,-0.00007079 ,-0.00002539,0.00043989,0.00015900,-0.00006619,0.00007306,-0.00009133, 0.00000158,-0.00005006,-0.00015530,-0.00003776,-0.00009772,0.00003755, -0.00005303,0.00005661,-0.00000578,0.00000537,0.00000444,0.00010905,-0 .00012084,0.00019263,-0.00013083,0.00053347,0.00050846,-0.00731795,0.0 0221548,-0.00636793,-0.00000620,-0.00014778,-0.00021228,-0.00001653,0. 00002880,0.00007501,-0.00016958,0.00001864,-0.00007580,0.00003783,0.00 000171,0.00000979,-0.00004830,-0.00011182,-0.00012012,-0.00005025,0.00 006751,0.00005178,0.00007990,-0.00001895,-0.00000306,0.00005495,-0.000 00450,-0.00000613,-0.00000249,-0.00000465,-0.00000839,0.00000235,0.000 00444,-0.00000500,0.00000351,-0.00000093,0.00000667,0.00103387,0.00596 989,0.00361436,-0.00074661,0.01078268,-0.08679993,0.04766271,-0.025344 98,0.59075436,-0.00012523,0.00067660,0.00013421,-0.00020206,0.00158352 ,-0.00638467,-0.00025979,-0.00016657,0.00049476,0.00016934,-0.00026392 ,-0.00015970,0.00009143,-0.00016344,-0.00000181,-0.00029939,-0.0000862 0,-0.00015210,0.00009777,-0.00009058,0.00020035,-0.00004966,-0.0000157 1,0.00008277,-0.00102722,0.00001921,-0.00001079,0.00083026,-0.00039512 ,0.00047928,-0.03454120,0.01626470,-0.02564752,0.00006744,-0.00001122, -0.00000781,0.00000030,-0.00002456,0.00003648,-0.00014920,0.00011111,0 .00010513,-0.00000111,-0.00004444,-0.00004908,-0.00053047,-0.00004115, -0.00013681,0.00025536,-0.00006728,-0.00007435,0.00041000,0.00037706,0 .00013361,-0.00010844,-0.00002510,0.00001228,0.00001740,0.00000330,0.0 0000833,0.00000776,0.00000808,-0.00000529,0.00000665,0.00000774,-0.000 00318,0.01277931,0.00095507,0.01488638,-0.01660997,-0.01463044,0.00613 609,-0.18672303,-0.01353129,-0.00726329,0.51536343,0.00073336,-0.00127 367,-0.00038737,0.00035428,0.00526011,0.00221177,0.00036040,-0.0009171 2,-0.00031517,0.00017851,0.00057595,0.00046067,-0.00019802,0.00014132, -0.00003369,0.00001050,0.00004844,0.00001801,-0.00009333,-0.00008433,- 0.00012785,0.00007585,0.00002381,-0.00010989,-0.00072716,-0.00064185,- 0.00011736,-0.00311941,-0.00047338,-0.00172936,0.01072598,-0.00490379, 0.00752149,-0.00016473,-0.00027143,-0.00017418,-0.00001813,0.00005821, -0.00000705,0.00008851,-0.00037905,-0.00017986,0.00000760,0.00011281,0 .00009065,0.00292320,0.00004794,0.00013543,-0.00126187,0.00027149,0.00 054896,-0.00222432,0.00040613,-0.00023871,0.00046499,0.00012617,0.0000 1169,-0.00007394,-0.00002908,-0.00003008,-0.00004756,-0.00002835,-0.00 000630,-0.00005697,-0.00002335,0.00001528,0.00802928,-0.01091278,0.029 58332,-0.03625640,0.00553636,0.00376191,-0.01362252,-0.07765013,0.0081 5906,0.04807566,0.59023813,0.00057488,-0.00124333,-0.00070005,-0.00505 401,-0.00165573,0.00810408,0.00018341,0.00054808,-0.00031558,-0.000213 07,0.00040757,0.00038128,-0.00013247,0.00018170,-0.00002203,0.00047522 ,0.00008616,0.00009793,-0.00016870,0.00001510,-0.00028912,0.00006565,0 .00000375,-0.00013686,-0.00039140,0.00045089,0.00001415,-0.00256197,-0 .00065020,-0.00341266,0.00371523,-0.00327079,0.00035864,0.00033060,-0. 00021132,-0.00044329,-0.00002999,0.00000376,-0.00006786,0.00018280,-0. 00032521,-0.00031553,-0.00000337,0.00013316,0.00011015,0.00323810,0.00 035704,0.00075141,-0.00136765,0.00021230,0.00045932,-0.00296048,0.0005 3614,-0.00047207,0.00044080,0.00009123,0.00004478,-0.00008324,-0.00000 619,-0.00003317,-0.00005274,-0.00003743,0.00003296,-0.00005928,-0.0000 4404,0.00000718,0.00275890,0.01286437,-0.01522947,0.01056640,0.0039273 0,0.00224383,-0.00366052,0.00647275,-0.07504991,-0.04177314,-0.0334919 8,0.45789540,-0.00367329,0.00411540,-0.00116899,-0.04561351,-0.0044631 9,0.01858624,-0.00076346,-0.00123470,-0.00010592,-0.00130036,0.0006343 5,-0.00063245,0.00112006,-0.00047840,0.00057720,0.00086026,0.00018911, 0.00026383,-0.00023310,0.00034087,-0.00037660,0.00016348,-0.00009138,- 0.00000495,0.00293187,0.00333051,-0.00265686,0.00671523,-0.00481558,-0 .01088454,-0.15348903,0.04247267,0.01736172,0.00089676,0.00094598,0.00 119451,0.00015345,-0.00000585,-0.00061711,0.00161917,-0.00049045,0.000 70358,-0.00041134,0.00006633,-0.00006490,0.00131380,0.00177004,0.00304 674,0.00032969,-0.00082663,-0.00110757,-0.00175562,-0.00110354,-0.0013 3192,-0.00039845,0.00001666,0.00014323,-0.00000756,0.00011324,0.000039 78,-0.00003257,-0.00006708,0.00017068,0.00001652,-0.00005574,-0.000075 19,-0.09307162,-0.02324981,0.01545373,-0.00148895,-0.00196308,0.000625 59,-0.02016076,0.00871062,-0.02882244,-0.08097732,0.00113550,-0.028390 92,0.43540766,0.00113921,-0.00143605,0.00027083,-0.02097413,0.00791467 ,-0.00559826,-0.00378962,-0.00241175,0.00531101,0.00053937,-0.00065162 ,0.00036904,-0.00030426,0.00022902,-0.00034235,-0.00167243,-0.00019987 ,-0.00113441,0.00006532,0.00010325,-0.00013440,-0.00000371,0.00003044, -0.00000640,-0.00275722,0.00015177,0.00133395,-0.00164563,0.00160150,0 .00312359,0.07258719,-0.11284327,0.00308828,0.00073408,-0.00050742,-0. 00085771,0.00007974,-0.00004226,0.00008886,-0.00040310,0.00031522,-0.0 0037358,0.00022315,-0.00007749,0.00004523,-0.00023152,-0.00027710,-0.0 0062213,-0.00005779,0.00019110,0.00025011,0.00035300,0.00014168,0.0005 1496,0.00008564,0.00000349,-0.00005945,0.00000673,-0.00002765,-0.00000 805,0.00000323,0.00001080,-0.00004274,-0.00000111,0.00001488,0.0000196 0,-0.02337546,-0.10862165,0.02367239,0.00123358,-0.00115994,0.00078118 ,0.00406928,0.00261621,0.00099280,-0.00256952,-0.08686080,0.02681604,0 .01804830,0.57430293,-0.00039721,0.00086679,-0.00049094,0.01460522,-0. 00842487,-0.00498431,-0.00186340,0.00001267,0.00165995,0.00030250,-0.0 0025730,-0.00013764,-0.00035542,-0.00016737,0.00008874,-0.00051035,-0. 00021490,-0.00033796,0.00022789,-0.00019326,0.00038534,-0.00001284,0.0 0000889,0.00004030,0.00031078,-0.00049265,0.00086853,0.00351021,0.0006 9452,-0.00549533,0.01049604,0.01374496,-0.05704390,0.00057757,-0.00012 954,-0.00003149,0.00010271,0.00005184,0.00003587,-0.00041822,0.0000998 1,-0.00003091,0.00005859,-0.00001911,-0.00004958,0.00023439,-0.0001214 5,-0.00014725,-0.00014768,0.00008912,0.00007952,-0.00011136,0.00013576 ,0.00017632,0.00005394,0.00001108,-0.00000288,-0.00000422,-0.00001285, -0.00000555,-0.00000651,0.00000439,-0.00001467,-0.00000458,0.00000283, 0.00000810,0.02062183,0.02915741,-0.09877572,0.00279945,-0.00320637,0. 00374860,-0.00990619,0.00093479,0.00900456,-0.00675768,0.02128085,-0.1 2864380,-0.00259016,0.06815082,0.48178210,0.00018407,-0.00022267,0.000 04217,0.00012699,0.00044531,-0.00060826,-0.00005866,-0.00002137,0.0003 3930,0.00007855,-0.00004010,0.00002942,-0.00005057,0.00003212,-0.00003 756,-0.00008575,-0.00000831,-0.00007296,0.00001284,0.00000063,0.000018 00,-0.00000638,0.00000238,-0.00000393,-0.00007208,-0.00007345,0.000079 74,-0.00029260,0.00024486,0.00045747,-0.00290859,-0.00264860,0.0022918 8,0.00004154,-0.00005352,-0.00016290,-0.00001755,0.00000204,0.00003723 ,-0.00007449,0.00002152,-0.00004320,0.00002154,-0.00000361,0.00000487, -0.00008657,-0.00008061,-0.00013194,0.00000345,0.00003052,0.00004217,0 .00011464,0.00007901,0.00005240,0.00001256,-0.00000294,-0.00000701,0.0 0000217,-0.00000405,-0.00000158,0.00000250,0.00000311,-0.00000719,0.00 000019,0.00000259,0.00000340,-0.15740490,0.08401337,0.10604382,0.00367 672,-0.00105648,0.00010669,-0.00014362,0.00016486,0.00032930,-0.000502 45,-0.00056923,-0.00003463,-0.01025374,0.00729216,0.01031527,0.1674858 7,0.00020483,-0.00026652,0.00007525,-0.00034360,0.00074669,-0.00074179 ,-0.00006381,-0.00011230,0.00029775,0.00007403,-0.00006167,0.00002669, -0.00004721,0.00004673,-0.00005455,-0.00011840,-0.00000882,-0.00006354 ,0.00002157,-0.00001999,0.00000011,-0.00001333,0.00000632,0.00000238,- 0.00002024,-0.00005924,0.00005298,-0.00033119,0.00027050,0.00057886,-0 .00364984,-0.00262856,0.00301393,-0.00000911,-0.00004236,-0.00007730,0 .00000398,0.00000275,0.00002018,-0.00007617,0.00004937,-0.00002681,0.0 0002573,-0.00001250,0.00000136,-0.00016290,-0.00010571,-0.00015336,0.0 0003471,0.00003076,0.00003655,0.00018237,0.00010346,0.00005354,-0.0000 0020,-0.00000875,-0.00000643,0.00000392,-0.00000464,-0.00000107,0.0000 0420,0.00000485,-0.00000864,0.00000126,0.00000354,0.00000339,0.0818938 3,-0.10887060,-0.07889873,0.00251273,-0.00089157,0.00095766,-0.0004529 8,0.00051262,0.00038590,-0.00054568,-0.00071941,-0.00007480,-0.0132383 0,0.00932620,0.01264257,-0.08198594,0.12827548,-0.00012091,0.00015155, -0.00001687,0.00018597,-0.00055283,0.00053383,0.00004774,0.00007307,-0 .00022846,-0.00001262,0.00004671,-0.00005365,0.00002205,-0.00002448,0. 00003147,0.00006749,-0.00000405,0.00004896,0.00000651,0.00001228,0.000 01357,0.00000688,-0.00000132,-0.00000373,-0.00000249,0.00002005,-0.000 02937,0.00018951,-0.00014327,-0.00023151,0.00163170,0.00247299,-0.0015 3005,-0.00001552,0.00000643,0.00006631,0.00000332,0.00001373,-0.000010 86,0.00002765,-0.00002794,0.00003565,-0.00001569,0.00000240,-0.0000036 8,-0.00008744,0.00001042,0.00001142,0.00005761,-0.00002705,-0.00003463 ,0.00009273,0.00002051,-0.00001288,-0.00002370,-0.00000346,0.00000232, 0.00000390,0.00000276,0.00000157,0.00000201,0.00000056,0.00000217,0.00 000225,0.00000034,-0.00000140,0.10428203,-0.07688419,-0.15263774,0.004 11359,-0.00275319,0.00115256,0.00014358,-0.00077012,-0.00226815,0.0003 5329,0.00004157,0.00006347,0.01148973,-0.00764017,-0.00716383,-0.10650 743,0.09061038,0.16935143,0.00013504,-0.00014237,0.00006093,0.00107410 ,0.00051612,-0.00103330,0.00000271,-0.00000871,0.00014293,0.00008881,- 0.00005902,0.00000579,-0.00005461,0.00001971,-0.00002674,-0.00009415,- 0.00001555,-0.00003251,0.00002528,-0.00002527,0.00003611,-0.00000760,0 .00000800,0.00000433,0.00001168,-0.00004210,0.00004174,-0.00013266,0.0 0026763,0.00043550,-0.00301827,0.00082520,-0.00152209,-0.00005767,-0.0 0003291,-0.00003004,0.00000485,0.00001028,0.00002682,-0.00010198,0.000 04352,-0.00001683,0.00002455,-0.00001118,-0.00000284,-0.00011837,-0.00 010709,-0.00019800,-0.00000101,0.00004236,0.00006049,0.00014102,0.0000 4725,0.00010596,0.00001380,0.00000146,-0.00001098,0.00000226,-0.000007 50,-0.00000073,0.00000194,0.00000379,-0.00001254,-0.00000119,0.0000053 4,0.00000412,-0.00077342,-0.00067720,-0.00002266,0.00538978,-0.0042091 2,0.00896510,-0.09805895,0.03261677,-0.09003732,-0.01626360,0.01084012 ,-0.03075158,-0.00374946,-0.00067299,0.00431573,0.00009722,0.00013797, -0.00001751,0.10022270,0.00000895,-0.00002588,-0.00000480,-0.00004376, 0.00001052,0.00004773,-0.00000086,-0.00001117,-0.00001185,-0.00001743, -0.00000256,0.00001402,0.00000131,0.00000824,-0.00000487,0.00000401,0. 00000234,0.00000062,-0.00000519,-0.00000149,-0.00000722,-0.00000167,-0 .00000033,0.00000047,0.00000253,0.00000110,-0.00000909,-0.00003554,0.0 0000323,-0.00004837,-0.00014408,0.00014701,-0.00008242,0.00000327,0.00 001236,-0.00000052,-0.00000242,-0.00000750,-0.00000147,0.00001294,0.00 000122,-0.00000266,-0.00000154,0.00000111,-0.00000004,0.00000464,0.000 01239,0.00003799,0.00000666,-0.00000772,-0.00001156,-0.00000888,0.0000 2178,-0.00004711,-0.00000316,-0.00000224,0.00000384,-0.00000019,0.0000 0119,-0.00000015,-0.00000002,-0.00000020,0.00000204,0.00000077,-0.0000 0102,-0.00000064,-0.00154567,-0.00100531,-0.00190900,0.01478856,-0.008 51132,0.02555448,0.03352599,-0.07781379,0.07246486,-0.00210718,0.00134 992,-0.00103895,-0.00046026,0.00036257,-0.00024370,0.00009677,-0.00005 546,0.00024687,-0.03462875,0.08752383,-0.00000447,0.00000796,0.0000153 2,0.00000078,-0.00003273,-0.00006847,0.00001387,-0.00000414,-0.0000291 6,0.00001006,-0.00000341,-0.00000997,-0.00000402,0.00000082,-0.0000003 0,-0.00000651,0.00000072,0.00000625,0.00000637,-0.00000006,0.00000457, 0.00000095,0.00000212,0.00000060,-0.00000709,0.00000212,-0.00001062,-0 .00000246,-0.00000403,0.00005977,0.00034687,-0.00014365,0.00066401,-0. 00001773,0.00001138,0.00003330,0.00000708,0.00000188,-0.00000437,-0.00 001027,0.00000837,0.00000755,0.00000290,-0.00000374,-0.00000167,-0.000 01940,-0.00001979,-0.00004673,0.00000027,0.00000711,0.00001276,0.00002 474,0.00000256,0.00003286,0.00000101,0.00000155,-0.00000386,0.00000073 ,-0.00000190,0.00000044,0.00000024,0.00000079,-0.00000315,-0.00000071, 0.00000167,0.00000080,0.00019898,-0.00040292,0.00020139,-0.00610723,0. 00292857,-0.00588306,-0.08981066,0.07244819,-0.23299764,0.00131603,-0. 00058309,0.00314580,0.00134916,-0.00073382,-0.00059669,0.00001923,-0.0 0024598,0.00025459,0.09636977,-0.06651857,0.26143966,-0.00006435,0.000 09376,0.00001511,-0.00077990,0.00024802,-0.00048601,-0.00004147,0.0000 2249,-0.00001487,-0.00001165,0.00003590,-0.00000573,0.00002540,-0.0000 5157,-0.00001935,-0.00000826,0.00000326,0.00000491,0.00001810,-0.00000 451,0.00000804,0.00000480,-0.00000532,0.00000906,-0.00138488,0.0003146 0,-0.00048402,0.00006024,-0.00036149,0.00016076,0.00012534,-0.00076982 ,0.00074789,0.00001313,0.00000403,0.00006692,0.00000509,-0.00000670,-0 .00001109,0.00001721,-0.00000346,0.00000750,-0.00000411,-0.00000031,-0 .00000251,0.00009102,0.00003838,0.00004305,-0.00002651,-0.00001190,-0. 00001419,-0.00009572,-0.00000771,-0.00001566,-0.00000234,0.00000362,0. 00000486,-0.00000133,0.00000067,-0.00000014,-0.00000202,-0.00000092,0. 00000255,-0.00000100,-0.00000178,-0.00000094,-0.00216828,-0.00002169,- 0.00304968,-0.00526709,0.00457303,-0.00030220,-0.01340096,-0.03364825, 0.01119857,-0.07797373,-0.07077792,0.02476300,0.00657152,0.01301875,-0 .00709923,0.00012797,0.00013063,-0.00004995,0.00172565,0.00010828,-0.0 0037902,0.08277199,0.00010699,-0.00013540,0.00005844,-0.00051283,-0.00 229671,0.00008660,0.00007126,0.00061950,0.00008892,-0.00007076,-0.0002 6353,-0.00008239,-0.00003861,0.00009003,-0.00001849,0.00002815,0.00000 078,0.00001447,0.00000065,0.00002771,-0.00000415,-0.00002865,0.0000072 8,0.00000597,-0.00004388,0.00109726,-0.00010503,0.00043781,0.00051670, 0.00012681,0.00083776,0.00091559,-0.00023272,0.00001196,0.00003357,-0. 00007967,-0.00000478,-0.00001354,0.00002678,-0.00012165,0.00015186,-0. 00003474,0.00003069,-0.00002650,-0.00001036,-0.00077923,-0.00016985,-0 .00015399,0.00030681,-0.00001305,-0.00007102,0.00072029,0.00002883,0.0 0005425,-0.00008428,-0.00004230,-0.00000973,0.00001889,0.00000406,0.00 000298,0.00001543,0.00001113,-0.00000351,0.00001464,0.00000576,0.00000 047,0.00109627,0.00127255,0.00027365,0.00100752,-0.00010511,-0.0008242 1,-0.00026933,0.00045906,0.00058863,-0.07121036,-0.25350898,0.07671539 ,-0.00437423,-0.00527482,0.00390077,-0.00010687,-0.00012890,0.00012413 ,-0.00028734,0.00051300,-0.00030070,0.07623333,0.28114995,-0.00014847, 0.00016729,-0.00003882,0.00017394,0.00100786,-0.00045102,-0.00008157,- 0.00025286,0.00004185,0.00004481,0.00009953,-0.00004370,0.00001997,-0. 00003854,0.00002652,-0.00004222,-0.00000988,-0.00001207,0.00002826,-0. 00000471,0.00003667,-0.00000163,-0.00000671,0.00000547,-0.00069997,-0. 00041874,0.00019886,0.00028891,-0.00025455,0.00032608,-0.00113984,-0.0 0059121,0.00044528,-0.00000794,-0.00003461,0.00011479,0.00001972,0.000 00671,-0.00002713,0.00005822,-0.00003564,0.00005921,-0.00002045,-0.000 00431,-0.00000924,-0.00038818,-0.00002524,-0.00000580,0.00021774,-0.00 006557,-0.00011336,0.00041361,-0.00008530,0.00000950,-0.00007324,-0.00 001736,-0.00000151,0.00001251,0.00000700,0.00000473,0.00000898,0.00000 412,0.00000414,0.00001094,0.00000308,-0.00000299,-0.00415467,0.0009656 6,-0.00446485,-0.00054781,-0.00036911,-0.00005766,-0.00060063,0.002131 06,0.00065096,0.02777866,0.07910136,-0.07755007,0.01041939,0.02554151, -0.01209900,0.00012836,0.00019433,-0.00010555,-0.00002301,-0.00076289, 0.00051971,-0.02568055,-0.07200461,0.08821201,0.00053507,-0.00072273,0 .00006780,0.00489292,0.00589066,-0.00272759,0.00010350,0.00067406,0.00 059116,0.00019203,0.00005286,0.00003387,-0.00004325,-0.00001792,-0.000 04128,-0.00000738,-0.00003844,-0.00012027,0.00002839,-0.00005855,0.000 07772,-0.00001971,-0.00001494,-0.00002468,0.00010148,-0.00095532,0.000 26249,-0.00115940,-0.00018008,0.00217132,-0.02100316,0.03468366,0.0207 6202,0.00042646,-0.00029042,-0.00021077,0.00013245,-0.00002838,-0.0001 5400,-0.00015028,-0.00007791,-0.00010810,0.00000375,0.00002955,0.00001 409,-0.00013161,-0.00022255,-0.00034860,-0.00001717,0.00007013,0.00008 992,0.00022892,0.00010236,0.00014872,0.00003216,-0.00000122,-0.0000118 1,0.00000113,-0.00000998,-0.00000276,0.00000731,0.00000786,-0.00001647 ,-0.00000092,0.00000661,0.00000653,-0.00071571,-0.01361658,-0.00819244 ,0.00185023,-0.00113382,0.00095826,0.00073691,-0.00061925,-0.00020902, 0.00347365,-0.00969498,-0.00298148,-0.04797140,-0.02328667,-0.01403681 ,-0.00036710,-0.00119334,-0.00039142,-0.00000853,0.00020688,0.00007208 ,0.00068049,0.00047217,-0.00006473,0.06551939,-0.00031434,0.00028851,- 0.00005236,-0.00220870,-0.00061346,0.00221663,0.00019607,0.00008569,-0 .00059105,-0.00013991,-0.00003155,-0.00006219,0.00005745,-0.00001579,0 .00003386,0.00008445,0.00002443,0.00015193,0.00000104,-0.00001265,-0.0 0003537,0.00000519,0.00000213,0.00001192,0.00044655,0.00040880,-0.0005 2894,0.00063497,-0.00032676,-0.00084913,0.01248257,-0.00890177,-0.0070 7580,-0.00030751,0.00003752,0.00020828,-0.00000620,0.00002410,0.000012 22,0.00005833,0.00004314,0.00006109,-0.00001332,-0.00000735,-0.0000094 9,0.00005801,0.00006314,0.00019088,0.00002175,-0.00004220,-0.00006956, -0.00008042,-0.00001731,-0.00009931,-0.00002640,-0.00000327,0.00001068 ,0.00000068,0.00000621,0.00000166,-0.00000145,-0.00000267,0.00000931,0 .00000137,-0.00000284,-0.00000370,-0.00310688,-0.01568235,-0.01112895, 0.00134678,-0.00083542,0.00084142,-0.00048834,-0.00030156,-0.00079470, -0.00070316,0.00689503,0.00423219,-0.01861303,-0.23445880,-0.12234138, -0.00006685,0.00095449,-0.00009713,-0.00000747,0.00008783,0.00013737,- 0.00048687,0.00099183,-0.00001921,0.01220055,0.25213371,-0.00004421,0. 00012883,0.00010642,-0.00001596,-0.00156673,0.00043389,0.00008663,0.00 020386,0.00004187,-0.00003613,-0.00009166,-0.00006124,0.00002293,0.000 00485,0.00001323,0.00002389,-0.00000143,-0.00000223,-0.00000648,0.0000 2827,0.00000164,-0.00000782,-0.00000101,0.00000584,0.00026444,0.000362 12,-0.00047022,0.00013234,0.00034268,0.00004891,0.00357015,-0.00063593 ,0.00335794,0.00007442,0.00004716,-0.00016621,-0.00002497,0.00003169,0 .00000724,-0.00002331,0.00004132,0.00000269,0.00000107,-0.00001083,-0. 00000634,-0.00030845,-0.00000359,-0.00002626,0.00012286,-0.00001714,-0 .00003879,0.00023622,-0.00005219,0.00003820,-0.00004010,-0.00000990,-0 .00000364,0.00000689,0.00000238,0.00000315,0.00000337,0.00000243,-0.00 000021,0.00000507,0.00000275,-0.00000116,0.00251329,0.01344807,0.00801 606,-0.00051737,0.00053193,-0.00078902,0.00047427,-0.00021937,-0.00161 825,-0.00204483,-0.02417380,-0.01295241,-0.01242550,-0.12379004,-0.138 03536,0.00028575,0.00019645,0.00147355,-0.00033815,-0.00001094,0.00004 707,0.00086912,0.00022076,0.00078736,0.00661133,0.13123845,0.14501535, 0.00000851,-0.00000025,0.00003050,0.00016637,0.00005236,-0.00030020,-0 .00000224,-0.00001877,0.00000445,0.00003415,-0.00001496,-0.00003400,-0 .00000977,0.00000965,0.00000388,-0.00002496,-0.00000587,-0.00000002,0. 00001361,0.00000029,0.00001701,-0.00000386,0.00000222,0.00000178,-0.00 001522,-0.00001799,0.00000816,0.00003437,0.00005601,0.00017278,-0.0003 2967,-0.00015082,0.00029427,-0.00003063,-0.00000292,0.00003364,0.00001 015,0.00000821,-0.00000022,-0.00002576,0.00001735,0.00001888,0.0000034 9,-0.00000891,-0.00000464,-0.00024097,-0.00006712,-0.00009723,0.000097 57,-0.00000860,-0.00001678,0.00024614,0.00007601,0.00005813,-0.0000287 9,-0.00000896,-0.00000473,0.00000719,-0.00000060,0.00000171,0.00000495 ,0.00000391,-0.00000405,0.00000439,0.00000370,0.00000100,0.00096831,0. 00377158,-0.00285532,-0.04563903,-0.01595455,-0.01677773,0.00322283,-0 .00256736,-0.00730314,0.00044212,-0.00001362,-0.00081349,0.00054673,0. 00040311,-0.00018621,-0.00039370,-0.00035802,-0.00040640,0.00056200,0. 00031949,0.00050790,0.00006017,0.00003936,0.00019007,-0.00004729,-0.00 004983,0.00009668,0.07325687,-0.00009607,0.00014678,-0.00000171,-0.000 15884,-0.00011528,0.00004807,-0.00002085,-0.00001429,-0.00002729,-0.00 005003,-0.00000180,-0.00001333,0.00003997,-0.00002243,0.00001272,0.000 01738,0.00000361,0.00000320,-0.00000753,0.00000849,-0.00000282,-0.0000 0071,-0.00000540,0.00000660,0.00000849,0.00000554,-0.00001293,0.000235 12,-0.00010472,-0.00001754,0.00014427,0.00014891,-0.00005453,0.0000280 7,0.00003190,0.00002387,-0.00000715,-0.00001266,-0.00000874,0.00005136 ,-0.00000406,0.00002065,-0.00001419,0.00000105,-0.00000570,-0.00008171 ,0.00006048,0.00007658,0.00005910,-0.00003704,-0.00005244,0.00003442,- 0.00009916,-0.00000009,-0.00003025,0.00000071,0.00000263,0.00000188,0. 00000385,0.00000379,0.00000032,-0.00000195,0.00000380,0.00000219,0.000 00069,-0.00000360,0.00051062,-0.00254894,0.00219088,-0.01541141,-0.133 29407,-0.13406501,-0.00108750,-0.01356508,-0.02400645,0.00059400,-0.00 118538,-0.00051305,-0.00007908,-0.00017300,0.00000332,0.00031988,0.000 13999,0.00045071,0.00067586,0.00027392,0.00014239,-0.00018991,0.000011 81,0.00001905,0.00015179,0.00002883,0.00006432,0.00481450,0.14477503,- 0.00001896,0.00004873,0.00002274,0.00009349,0.00002640,-0.00022067,-0. 00000338,-0.00001756,-0.00000482,0.00002081,-0.00000265,-0.00003337,0. 00000227,-0.00000768,0.00000585,-0.00001714,-0.00000453,0.00000184,0.0 0001097,0.00000064,0.00001352,-0.00000150,0.00000071,0.00000285,-0.000 01717,-0.00001814,0.00000577,0.00009316,0.00001074,0.00013163,-0.00017 285,-0.00015459,0.00028029,-0.00001869,-0.00000561,0.00003991,0.000009 84,0.00000863,-0.00000556,-0.00001228,0.00000797,0.00001985,-0.0000001 1,-0.00000590,-0.00000421,-0.00012660,-0.00002677,-0.00005838,0.000056 53,-0.00000513,-0.00000994,0.00013259,0.00001133,0.00001755,-0.0000178 2,-0.00000464,-0.00000185,0.00000440,-0.00000045,0.00000102,0.00000260 ,0.00000238,-0.00000241,0.00000199,0.00000190,0.00000028,0.00078109,0. 00411938,-0.00036488,-0.01466285,-0.11935423,-0.24712328,-0.00078697,0 .00243118,0.00651779,-0.00040673,-0.00078788,-0.00046168,0.00032119,0. 00032274,-0.00032785,-0.00013195,-0.00010703,-0.00023688,-0.00039528,0 .00002716,0.00117006,-0.00002902,0.00011297,0.00014583,-0.00008487,-0. 00008032,0.00007739,0.01792487,0.13235602,0.27462894,0.00062581,-0.000 73687,0.00020117,0.00198735,0.00124830,-0.00206639,0.00017650,0.000097 58,0.00019638,0.00056206,-0.00006593,0.00001089,-0.00030212,0.00004687 ,-0.00008195,-0.00028595,-0.00006048,-0.00002034,0.00010871,-0.0000704 6,0.00010367,0.00001037,0.00004703,-0.00001471,-0.00006668,-0.00005229 ,0.00001445,-0.00116792,0.00092266,0.00130973,-0.00253958,-0.00190693, 0.00246060,-0.00041438,-0.00024700,-0.00007056,0.00007842,0.00014334,0 .00010637,-0.00057536,0.00011097,-0.00012628,0.00014647,-0.00003960,0. 00003021,0.00057735,-0.00058207,-0.00102994,-0.00056431,0.00038283,0.0 0054443,-0.00023356,0.00022511,0.00059076,0.00029401,0.00004378,-0.000 07298,-0.00001791,-0.00004921,-0.00002519,-0.00000665,0.00001225,-0.00 006178,-0.00002607,0.00001281,0.00003363,-0.09664884,-0.03366724,-0.04 299307,-0.08728026,0.03439469,-0.05004121,-0.00051588,0.00371353,-0.00 542072,-0.00353633,0.00404577,-0.00328046,-0.01294120,-0.02251151,-0.0 1992509,0.01193079,0.00239453,0.00037973,0.00088902,0.00020230,0.00099 897,0.00091123,-0.00025593,0.00027628,-0.00371351,-0.00346118,0.002545 37,-0.01272508,0.01121128,-0.01711305,0.29229851,0.00057984,-0.0007610 6,0.00015192,0.00054329,0.00022413,-0.00117146,0.00008496,-0.00007284, 0.00016934,0.00001267,-0.00028524,0.00009394,-0.00013706,0.00024573,-0 .00011156,-0.00014874,0.00001063,-0.00004485,0.00000634,-0.00004121,-0 .00000714,-0.00006394,0.00002336,0.00001478,0.00010016,0.00017780,-0.0 0008810,-0.00076195,0.00092519,0.00062058,-0.00319238,0.00029809,0.001 15310,-0.00018736,0.00016425,-0.00008592,-0.00002478,-0.00006465,0.000 07252,-0.00013612,0.00022116,-0.00004366,0.00005767,-0.00005437,-0.000 01303,-0.00091073,-0.00032235,-0.00028734,0.00036138,0.00001977,-0.000 02532,0.00094795,0.00069890,-0.00008072,-0.00011781,-0.00008296,0.0000 1072,0.00002499,0.00000030,-0.00000012,0.00002182,0.00002236,-0.000008 19,0.00001520,0.00000387,0.00000362,-0.01214755,-0.13645574,-0.0428473 3,0.01378253,-0.12886343,0.01781798,0.02566209,-0.01722750,0.03116891, 0.00257226,0.00250636,-0.00429043,-0.01757637,-0.02382950,-0.01805964, -0.01777370,-0.01211452,-0.01972713,-0.00245987,-0.00700753,0.00121401 ,0.00016569,0.00048673,-0.00050181,-0.00367507,-0.00260771,0.00324230, -0.00624094,0.00976553,-0.00656566,-0.01083444,0.30228919,0.00003941,0 .00001137,0.00022962,0.00079600,0.00054493,-0.00203722,0.00000549,-0.0 0014996,-0.00001942,0.00031128,-0.00004557,-0.00026115,-0.00009633,0.0 0002644,0.00001465,-0.00020378,-0.00005382,0.00001545,0.00010999,-0.00 001074,0.00012359,-0.00000944,0.00002453,0.00000501,-0.00009348,-0.000 15054,0.00004218,0.00005325,0.00039842,0.00127854,-0.00284067,-0.00130 165,0.00307134,-0.00026297,-0.00008957,0.00033113,0.00011580,0.0000975 9,-0.00003586,-0.00023776,0.00009893,0.00013391,0.00003821,-0.00005970 ,-0.00002615,-0.00113229,-0.00043851,-0.00077095,0.00037708,0.00003799 ,0.00004432,0.00126484,0.00036256,0.00036051,-0.00009473,-0.00003117,- 0.00004128,0.00003534,-0.00001548,0.00000590,0.00002466,0.00002308,-0. 00003931,0.00001199,0.00002349,0.00001116,-0.04071732,-0.05862720,-0.1 1016206,-0.03326610,0.02672567,-0.11569205,-0.00903953,0.00888457,-0.0 1232483,-0.00546721,-0.00217060,-0.00380070,-0.00058757,-0.00146133,0. 00653924,-0.02181217,-0.01905267,-0.02188123,0.00129498,0.00352274,0.0 0096257,0.00092201,-0.00009228,0.00109850,0.00017708,0.00080768,0.0003 7865,-0.02812066,0.02154463,-0.02189244,0.16520589,0.02672833,0.283025 00,0.00068915,-0.00089656,0.00009685,0.00179308,0.00064902,-0.00132481 ,0.00016131,0.00023571,0.00026286,0.00047176,-0.00006376,0.00012188,-0 .00030047,0.00006565,-0.00011029,-0.00018915,-0.00003986,-0.00003377,0 .00006527,-0.00006315,0.00005047,0.00001673,0.00004261,-0.00002572,0.0 0001290,0.00005839,0.00008737,-0.00126442,0.00089086,0.00069984,-0.002 63377,-0.00077138,0.00068422,-0.00027144,-0.00021415,-0.00020387,0.000 05644,0.00010047,0.00011161,-0.00053397,0.00008315,-0.00020781,0.00014 854,-0.00001886,0.00004777,0.00110243,-0.00045664,-0.00073913,-0.00077 916,0.00040191,0.00056608,-0.00077503,0.00020293,0.00035499,0.00036979 ,0.00004980,-0.00005818,-0.00003448,-0.00004435,-0.00003294,-0.0000160 7,0.00000422,-0.00004614,-0.00003124,0.00000047,0.00003308,0.00323800, 0.00802952,0.00932547,-0.14570925,0.01520212,0.07687671,-0.02394380,-0 .00691860,0.01208162,0.00091565,-0.00313344,-0.00006659,0.00141156,-0. 00020553,-0.00113056,-0.00045981,-0.00122767,-0.00132888,0.00012810,-0 .00075585,0.00026891,-0.00163848,0.00001385,0.00033694,-0.00055921,-0. 00037568,0.00023410,-0.01718852,0.00062105,0.01404782,-0.06584112,0.02 224547,-0.01272264,0.36719208,0.00048298,-0.00065234,0.00006655,0.0009 3791,-0.00001062,-0.00057769,0.00009595,0.00015386,0.00013541,0.000148 30,-0.00013535,0.00007834,-0.00016136,0.00012655,-0.00008114,-0.000075 23,-0.00000781,-0.00002162,0.00001944,-0.00003451,0.00000381,-0.000019 45,0.00002264,-0.00000755,0.00007656,0.00015483,0.00003924,-0.00071100 ,0.00066448,0.00030170,-0.00168800,0.00044304,-0.00025076,-0.00011956, 0.00000215,-0.00012157,0.00001147,-0.00000310,0.00006088,-0.00023738,0 .00011419,-0.00010034,0.00007349,-0.00002709,0.00001330,0.00012773,-0. 00029077,-0.00034444,-0.00017237,0.00016608,0.00020150,-0.00001294,0.0 0035066,0.00009002,0.00009102,-0.00001990,-0.00001445,-0.00000528,-0.0 0001538,-0.00001378,0.00000140,0.00001079,-0.00001582,-0.00000709,-0.0 0000197,0.00001335,-0.00072022,-0.00164186,-0.00187559,-0.00034178,-0. 10118213,-0.00398871,-0.03570459,-0.00113150,0.01571177,0.00088981,-0. 00882781,0.00028120,0.00169074,-0.00032082,0.00142282,0.00028939,0.000 08948,0.00069044,0.00013251,0.00006089,-0.00009815,-0.00281360,0.00036 941,0.00019323,0.00021709,0.00020178,-0.00001973,0.01804018,0.00523962 ,-0.00988891,0.02190581,0.00292529,-0.00191559,0.04790369,0.32537883,- 0.00031158,0.00044466,0.00000478,-0.00052727,-0.00015445,0.00008588,-0 .00006431,-0.00014688,-0.00013923,-0.00013739,0.00002675,-0.00011989,0 .00011336,-0.00003545,0.00006259,0.00003745,0.00000576,0.00002144,-0.0 0000472,0.00003022,0.00001205,-0.00000571,-0.00001320,0.00001097,-0.00 004132,-0.00007616,-0.00002849,0.00061766,-0.00034209,-0.00000207,0.00 073818,-0.00010512,0.00038626,0.00005916,0.00008023,0.00018337,0.00000 271,-0.00002224,-0.00006367,0.00018619,-0.00001914,0.00012960,-0.00005 784,-0.00000501,-0.00002865,-0.00068073,0.00009490,0.00010795,0.000397 59,-0.00015503,-0.00021366,0.00057086,-0.00006435,0.00000765,-0.000177 53,-0.00002168,0.00000934,0.00002199,0.00001361,0.00001672,0.00001147, 0.00000280,0.00000857,0.00001336,0.00000631,-0.00001161,0.00048563,-0. 00141824,0.00081731,0.06080597,-0.01365104,-0.11306349,0.01433331,-0.0 0031654,-0.00543188,-0.00112296,0.00123612,-0.00055746,-0.00047436,0.0 0032562,-0.00054040,0.00104605,0.00086129,0.00072838,-0.00038183,-0.00 056790,0.00075427,0.00097020,0.00004145,0.00000737,0.00006491,0.000007 80,0.00012351,0.03955840,0.00064864,-0.01384425,-0.00873963,0.00029819 ,0.02088250,-0.13914748,-0.03952840,0.18209981,0.00046882,-0.00067429, 0.00000353,0.00072280,0.00031384,-0.00012106,0.00013826,0.00017274,0.0 0012417,0.00018210,-0.00002293,0.00012558,-0.00017093,0.00009237,-0.00 007677,-0.00005325,-0.00000708,-0.00001532,0.00000818,-0.00003459,-0.0 0000705,0.00000424,0.00002282,-0.00002558,0.00001265,0.00005159,0.0000 0572,-0.00105163,0.00039488,0.00004226,-0.00054597,0.00040487,0.000789 11,-0.00011389,-0.00011535,-0.00019915,0.00000320,0.00004108,0.0000657 8,-0.00022715,0.00002313,-0.00014036,0.00007055,0.00000510,0.00003183, 0.00069781,-0.00018569,-0.00027135,-0.00042483,0.00018417,0.00028852,- 0.00052987,0.00030610,0.00006645,0.00018810,0.00002236,-0.00001610,-0. 00001974,-0.00001910,-0.00001638,-0.00000946,0.00000011,-0.00001842,-0 .00001827,-0.00000246,0.00001477,-0.00144907,0.00017260,-0.00148311,-0 .00098151,-0.00417802,-0.00517580,-0.10551516,0.03507511,0.03844218,-0 .00553650,0.02982602,0.03288710,0.00064629,-0.00077641,-0.00166794,-0. 00124099,0.00101158,-0.00023424,0.00821954,-0.00802774,-0.00348749,0.0 0229362,-0.00013724,-0.00008127,-0.00104578,0.00171344,0.00015205,0.,- 0.00203378,0.00113574,0.00246053,-0.00025679,0.00058773,0.00036001,-0. 00394610,-0.00169642,0.60637402,-0.00008706,0.00012984,0.00002607,-0.0 0030591,-0.00045427,0.00014503,-0.00004107,-0.00015110,-0.00015810,-0. 00014366,-0.00007376,-0.00003501,0.00006497,0.00004781,0.00001363,0.00 005292,0.00001754,0.00001702,-0.00001786,0.00001704,-0.00001399,-0.000 02656,-0.00000569,0.00001990,0.00001401,-0.00001222,-0.00005530,0.0003 3419,0.00001529,-0.00004528,0.00032048,0.00081136,-0.00026290,0.000031 28,0.00024205,0.00013393,-0.00001029,-0.00008875,-0.00002533,0.0001286 9,0.00007179,0.00007996,-0.00002712,-0.00003114,-0.00002681,-0.0006511 8,-0.00000161,0.00008639,0.00035829,-0.00009289,-0.00017331,0.00054400 ,0.00010263,-0.00005024,-0.00016237,-0.00005230,0.00001556,0.00001897, 0.00001225,0.00000902,0.00001154,0.00000872,0.00001244,0.00001348,-0.0 0000078,-0.00000816,-0.00006988,-0.00192989,0.00118840,0.00616507,-0.0 3173276,-0.04052660,0.00021274,-0.13220254,-0.07912620,0.00620636,-0.0 0545224,-0.00628602,-0.00021946,-0.00044733,0.00086492,0.00152933,-0.0 0142653,-0.00006967,-0.00065272,0.00310928,-0.00807061,0.00082214,0.00 100156,-0.00007787,0.00074411,-0.00008134,0.00023818,-0.00245414,-0.00 614932,0.00305428,0.00096805,0.00076167,0.00374924,0.00048520,-0.00044 038,-0.00083640,-0.03198215,0.19373065,-0.00023432,0.00036025,0.000059 58,-0.00004221,0.00000782,-0.00057616,-0.00003516,-0.00020263,-0.00017 994,-0.00003752,-0.00000484,-0.00011883,0.00007007,-0.00003161,0.00004 195,-0.00002441,0.00000052,0.00002978,0.00001653,0.00001433,0.00003405 ,-0.00000702,-0.00000317,0.00001837,-0.00005807,-0.00011083,-0.0000319 4,0.00049546,-0.00014155,0.00032986,-0.00004096,-0.00011735,0.00125696 ,-0.00004340,0.00011646,0.00027022,0.00003397,-0.00002068,-0.00005811, 0.00007905,0.00003123,0.00012313,-0.00002676,-0.00002439,-0.00002936,- 0.00058761,-0.00001766,-0.00009757,0.00028473,-0.00007572,-0.00010903, 0.00052533,-0.00009237,0.00012507,-0.00011961,-0.00001167,-0.00000654, 0.00001750,0.00000233,0.00001207,0.00000872,0.00000492,-0.00000532,0.0 0000822,0.00000979,-0.00000499,-0.00095512,-0.00066569,-0.00514034,0.0 0184073,-0.01028892,-0.00629063,0.00134253,-0.07887706,-0.16308117,0.0 0609909,-0.00991763,-0.00855934,0.00037645,0.00093352,-0.00151710,-0.0 0122735,0.00058810,0.00175750,0.01188107,-0.03176561,-0.03148636,-0.00 119207,0.00039996,0.00029317,0.00045579,0.00016469,0.00051885,-0.00000 213,0.00031035,0.00164479,0.00163095,-0.00301138,0.00521465,0.00133651 ,0.00304760,0.00278949,-0.07288199,0.14712059,0.22711332,-0.00005768,0 .00007246,-0.00000927,-0.00015715,-0.00005136,0.00012514,-0.00000746,- 0.00001463,-0.00002064,-0.00004021,0.00000934,-0.00001011,0.00002635,- 0.00000616,0.00000998,0.00001714,0.00000342,0.00000256,-0.00000606,0.0 0000558,-0.00000443,-0.00000093,-0.00000385,0.00000124,-0.00000661,-0. 00000845,-0.00001201,0.00008593,-0.00008440,-0.00005809,0.00036913,0.0 0007698,0.00005598,0.00002350,0.00001053,0.00000926,-0.00000711,-0.000 00665,-0.00000841,0.00004727,-0.00001029,0.00001649,-0.00001375,0.0000 0290,-0.00000377,-0.00007767,0.00004214,0.00006256,0.00006012,-0.00003 311,-0.00004538,0.00004942,-0.00001764,-0.00002426,-0.00003113,-0.0000 0287,0.00000519,0.00000267,0.00000340,0.00000303,0.00000107,-0.0000005 9,0.00000370,0.00000206,-0.00000010,-0.00000298,-0.00015936,0.00010278 ,0.00022383,0.00096557,-0.00033639,-0.00137136,-0.01082741,-0.00103832 ,-0.00144732,0.00136362,0.00131316,0.00227588,-0.00004341,-0.00015514, -0.00024601,-0.00005635,0.00018258,-0.00026021,0.00123284,-0.00118814, -0.00128037,0.00010551,-0.00015058,-0.00011920,0.00002213,0.00013951,0 .00014571,-0.00041519,-0.00040477,0.00032253,-0.00031945,-0.00017316,0 .00021604,-0.00085039,-0.00122589,-0.00032749,-0.49313118,0.01598183,0 .05066044,0.50224185,-0.00001428,0.00003559,0.00000587,0.00016910,0.00 012264,-0.00020391,0.00000050,0.00003166,0.00003586,0.00004709,0.00001 818,-0.00000518,-0.00000890,-0.00002952,0.00000226,-0.00002402,-0.0000 0758,-0.00000288,0.00000853,-0.00000285,0.00001189,0.00000864,0.000001 10,-0.00000224,0.00001221,-0.00001107,0.00001012,0.00000621,-0.0000114 2,0.00009686,-0.00033598,-0.00013002,0.00019262,-0.00002008,-0.0000677 7,-0.00001560,0.00000569,0.00003286,0.00000664,-0.00003901,-0.00001930 ,-0.00001237,0.00000689,0.00000803,0.00000542,0.00012805,0.00000609,-0 .00003929,-0.00008110,0.00001812,0.00004066,-0.00010712,-0.00008237,0. 00003717,0.00004147,0.00001864,-0.00000737,-0.00000409,-0.00000362,-0. 00000118,-0.00000269,-0.00000299,-0.00000530,-0.00000288,0.00000233,0. 00000207,0.00070638,0.00045955,0.00034655,0.00581867,-0.00075848,-0.00 093269,0.03224258,-0.00385803,-0.00520990,-0.00116576,-0.00358490,-0.0 0325208,-0.00032749,0.00002760,-0.00042530,0.00012556,-0.00005789,0.00 012880,-0.00098832,0.00085332,-0.00035560,0.00003921,0.00018047,-0.000 08238,0.00005219,-0.00003814,0.00023677,-0.00040106,0.00061391,0.00010 973,-0.00185446,0.00020898,-0.00041957,0.00053225,0.00212101,-0.000065 78,-0.02150873,-0.02054575,-0.01782449,-0.01250924,0.02515524,0.000042 95,-0.00004594,0.00001499,0.00023542,0.00005003,-0.00020881,0.00000541 ,0.00002010,0.00005226,0.00002474,-0.00001847,0.00001469,-0.00000923,0 .00000259,-0.00000963,-0.00001058,-0.00000243,-0.00001024,0.00000263,- 0.00000367,0.00000340,-0.00000235,0.00000060,0.00000241,0.00000513,-0. 00000354,0.00000409,-0.00001503,0.00009298,0.00009834,-0.00034956,0.00 033006,0.00009116,-0.00000980,-0.00001002,-0.00005112,-0.00000937,0.00 000405,0.00002392,-0.00003229,0.00001013,-0.00001934,0.00000820,-0.000 00170,0.00000308,-0.00001995,-0.00001743,-0.00001026,-0.00000178,0.000 01039,0.00000316,0.00002100,-0.00000387,-0.00000799,0.00000760,-0.0000 0389,0.00000015,-0.00000019,0.00000014,-0.00000194,0.00000062,0.000000 97,0.00000051,0.00000138,-0.00000092,0.00000102,-0.00024362,0.00019669 ,0.00025654,-0.00037648,-0.00064170,0.00169628,0.03864485,-0.00477616, -0.00745680,-0.00121679,-0.00367744,-0.00439996,-0.00004855,-0.0007000 3,-0.00015101,-0.00027037,-0.00003294,0.00006781,0.00055860,0.00083096 ,0.00032120,-0.00029597,0.00010130,-0.00003214,0.00021236,0.00026730,0 .00032148,0.00025243,0.00003908,-0.00033667,-0.00009759,0.00031788,-0. 00064016,0.00014517,0.00038640,-0.00109079,0.00919031,-0.01948843,-0.0 2772950,-0.04861971,0.02645469,0.04009247,0.00165715,-0.00441128,-0.00 100213,-0.00157408,0.00207632,0.00504082,0.00054759,-0.00000467,0.0000 3927,0.00040530,0.00031741,0.00070827,-0.00096476,0.00095225,-0.000102 36,0.00010757,0.00003977,0.00000726,-0.00010565,-0.00012799,-0.0002031 4,0.00009911,0.00013592,-0.00030639,0.00002505,-0.00007075,-0.00009442 ,-0.01043877,0.00171146,-0.00320033,0.00585256,-0.00320680,-0.00382418 ,-0.00016981,-0.00041795,-0.00082721,0.00000094,0.00007134,0.00006830, -0.00036261,-0.00021656,-0.00049973,0.00015964,0.00010983,0.00014762,0 .00192133,-0.00063312,-0.00076364,-0.00131697,0.00053561,0.00093235,-0 .00165685,0.00101740,0.00038578,0.00054753,0.00009860,-0.00003363,-0.0 0005830,-0.00006478,-0.00004287,-0.00002664,-0.00000170,-0.00006404,-0 .00006821,-0.00000880,0.00004389,-0.00089141,-0.00073079,-0.00126854,- 0.00012509,-0.00119157,-0.00191891,-0.00456767,0.03155279,0.03213880,- 0.10159749,0.02517575,0.03836473,-0.00180453,-0.00499686,-0.00704388,0 .00021446,0.00035492,-0.00016433,0.00251117,0.00008291,-0.00015957,0.0 0614134,-0.00103168,-0.00599512,-0.00050730,0.00099091,-0.00212571,-0. 00115130,0.00050290,0.00224961,-0.00015586,-0.00171830,0.00439021,-0.0 0072910,-0.00001444,0.00139927,-0.01334162,0.00099305,0.00347211,-0.00 041146,0.00190007,0.00212791,0.57815140,-0.00040205,-0.00076259,0.0000 5231,0.00091870,-0.00223675,-0.00096189,0.00002465,0.00007006,0.000034 19,-0.00011682,-0.00049613,-0.00027368,-0.00020928,0.00058136,0.000087 15,-0.00006249,-0.00001244,0.00000545,0.00006245,0.00006038,0.00008908 ,-0.00007651,0.00005905,-0.00003595,0.00041098,0.00036262,0.00004799,- 0.00063270,0.00310299,0.00120846,-0.00089174,0.00344050,0.00387497,-0. 00014509,0.00036496,0.00024808,0.00000798,-0.00008426,0.00000803,-0.00 001402,0.00036373,0.00023305,-0.00000379,-0.00012639,-0.00008560,-0.00 561407,-0.00096003,-0.00066980,0.00255201,-0.00035220,-0.00091212,0.00 580829,-0.00089041,-0.00006092,-0.00076113,-0.00026587,-0.00006204,0.0 0014511,0.00004500,0.00004247,0.00011014,0.00006969,-0.00000093,0.0001 2736,0.00004667,-0.00001207,-0.00363367,-0.00138359,-0.00361257,0.0013 9632,-0.00305468,0.00098092,0.00457363,-0.00481520,-0.00793036,-0.0043 0284,-0.14893058,-0.06657613,0.00344045,-0.00121655,-0.01305421,0.0001 4577,0.00021158,0.00032124,-0.00107995,0.00011119,0.00044522,0.0122912 6,-0.02913781,-0.03514053,0.00017974,0.00145202,-0.00011331,0.00022811 ,0.00061353,0.00039053,-0.00277936,0.00173286,0.00473367,-0.00009419,0 .00161713,0.00027293,0.00209122,0.00172762,-0.00020121,-0.00043543,-0. 00006466,-0.00030001,0.00181931,0.21413987,0.00014857,-0.00005444,0.00 059126,0.00456516,0.00095835,-0.00447542,0.00002277,-0.00020210,0.0000 6119,0.00022833,-0.00035516,-0.00031201,-0.00010209,0.00012785,0.00003 093,-0.00032951,-0.00004508,-0.00002728,0.00012103,0.00000284,0.000201 31,-0.00003834,0.00003134,0.00005125,-0.00000705,-0.00016426,0.0000691 6,-0.00059901,0.00102111,0.00426067,-0.00110008,-0.00253867,0.00406782 ,-0.00039077,0.00018250,0.00043716,0.00003799,0.00001386,0.00005336,-0 .00020303,0.00032041,0.00023477,0.00002999,-0.00011989,-0.00008334,-0. 00352128,-0.00068987,-0.00133262,0.00144270,-0.00009204,-0.00035234,0. 00362006,-0.00106324,0.00162915,-0.00046741,-0.00006823,-0.00010780,0. 00009118,-0.00001317,0.00004074,0.00005851,0.00004477,-0.00006529,0.00 005870,0.00006288,-0.00000098,-0.00327696,-0.00202468,0.00212936,-0.00 219829,0.00097357,-0.00162344,0.00594076,-0.00971966,-0.01085001,0.008 89332,-0.07839052,-0.13182734,0.00906526,-0.03285280,-0.03483918,-0.00 009069,-0.00009605,0.00027210,0.00062881,-0.00004223,0.00123438,0.0001 2761,-0.00864441,0.00118202,-0.00326148,0.00338909,-0.00701272,0.00080 965,0.00032838,-0.00032271,0.00567684,0.00267759,-0.00197730,0.0011602 5,0.00028125,0.00028841,0.00333892,0.00032912,0.00124346,-0.00021555,- 0.00051983,-0.00036946,-0.12471553,0.13610240,0.21857149,-0.00413225,0 .00722199,0.00104421,0.00539066,-0.00318864,-0.00937821,-0.00101920,-0 .00000269,0.00040107,-0.00049021,-0.00031357,-0.00095920,0.00159776,-0 .00173919,0.00014035,-0.00024237,-0.00004527,-0.00004003,0.00014244,0. 00013080,0.00031517,-0.00003531,-0.00018212,0.00046501,-0.00006799,0.0 0022490,0.00027423,0.00216539,-0.00182461,0.00374481,-0.00523054,-0.00 116020,0.00131908,0.00028759,0.00049958,0.00123796,-0.00001585,-0.0000 2512,0.00000640,0.00040732,0.00024150,0.00062131,-0.00020047,-0.000132 26,-0.00018313,-0.00078426,0.00202405,0.00172795,0.00045320,-0.0006271 9,-0.00096094,-0.00136855,-0.00118422,-0.00043873,-0.00042449,-0.00000 934,0.00010871,0.00001231,0.00007411,0.00003346,-0.00000850,-0.0000305 8,0.00009810,0.00003707,-0.00001885,-0.00005281,-0.00039747,0.00022345 ,0.00066693,-0.00083705,-0.00075582,0.00067198,-0.00014428,0.00126632, 0.00041109,-0.00654431,0.00226841,0.00360049,0.00424876,-0.00241879,-0 .00080690,-0.00009561,-0.00012813,0.00003221,-0.00007865,-0.00001451,- 0.00013864,0.00101064,-0.00189293,-0.00175220,-0.00064623,0.00048445,- 0.00077264,-0.00012136,-0.00008340,-0.00004993,0.00026367,0.00036716,- 0.00105319,0.00078889,0.00064283,-0.00055693,0.00088159,-0.00064788,-0 .00100539,0.00005460,-0.00007351,0.00001182,-0.45489799,-0.01619207,0. 09392941,0.45925692,0.00101368,0.00230177,0.00109878,-0.00110807,0.001 90699,-0.00183148,-0.00005086,-0.00028516,-0.00015915,0.00011927,0.000 46888,0.00014805,0.00058164,-0.00119865,-0.00016664,-0.00000827,-0.000 00850,0.00000154,-0.00002114,-0.00006364,-0.00004628,0.00006931,-0.000 10308,0.00019491,-0.00014997,-0.00081932,-0.00026369,0.00043744,-0.005 01190,-0.00071413,-0.00056112,-0.00092750,-0.00073469,0.00004476,-0.00 017674,0.00000919,-0.00000231,0.00006898,-0.00000185,0.00004155,-0.000 28360,-0.00013511,-0.00000647,0.00008576,0.00005479,0.00756790,0.00095 584,0.00038940,-0.00292878,0.00036003,0.00112799,-0.00554015,0.0013032 9,-0.00047498,0.00080253,0.00028204,0.00013319,-0.00015929,-0.00005352 ,-0.00004410,-0.00014155,-0.00008104,0.00000193,-0.00016622,-0.0000616 9,0.00000516,-0.00006936,-0.00023555,0.00000309,0.00000903,-0.00032484 ,-0.00084768,-0.00093383,-0.00420713,-0.00383934,0.03388393,-0.0024071 6,-0.00932678,-0.00084566,0.00073727,0.00020576,0.00002055,0.00002810, 0.00003987,-0.00019522,-0.00005473,0.00012252,0.00067109,0.00049899,0. 00067388,0.00010643,-0.00017137,0.00000270,0.00014459,0.00043594,0.000 37929,-0.00020164,-0.00026924,0.00086751,-0.00032817,-0.00009489,0.000 51702,0.00204580,0.00000504,-0.00039039,0.00015878,-0.00024143,-0.0004 6190,-0.05082153,-0.03169050,-0.00963626,0.01891197,0.04123629,-0.0015 2025,0.00273509,-0.00013013,-0.00595754,-0.00290445,-0.00200717,-0.000 09130,-0.00041531,-0.00036677,-0.00026820,0.00014108,-0.00004372,0.000 61903,-0.00060870,-0.00002216,0.00016777,0.00002610,0.00005423,-0.0000 4020,0.00005154,-0.00004850,-0.00003746,-0.00008737,0.00011803,0.00006 458,-0.00015710,0.00006355,0.00323167,-0.00178949,-0.00291044,0.000011 27,0.00191416,0.00216297,0.00012686,0.00012434,0.00010664,-0.00002188, -0.00004116,-0.00006243,0.00029504,-0.00014879,0.00007697,-0.00008688, 0.00002311,-0.00000579,0.00291397,0.00048140,0.00171703,-0.00080878,-0 .00012071,-0.00000302,-0.00219893,0.00059133,-0.00240606,0.00027667,-0 .00000007,0.00013012,-0.00006304,0.00004337,-0.00002464,-0.00003873,-0 .00003951,0.00009386,-0.00003762,-0.00005795,-0.00001571,0.00047827,0. 00028647,0.00008423,0.00000433,-0.00052322,-0.00005075,-0.00136885,-0. 00285186,-0.00324364,0.03079001,0.00059501,-0.00962884,0.00375393,-0.0 0082165,-0.00120232,-0.00010584,-0.00015402,0.00009972,0.00005484,-0.0 0007416,0.00018374,-0.00092959,-0.00014918,0.00142021,-0.00000286,-0.0 0002301,0.00054487,0.00005511,0.00026204,0.00010604,-0.00035248,0.0001 3304,-0.00067372,-0.00047695,-0.00001120,0.00021792,0.00149193,-0.0000 5518,-0.00003283,0.00008306,-0.00037653,-0.00014577,0.06251884,-0.0195 1916,-0.03891305,-0.09298483,0.02215789,0.05393771,0.00085725,-0.00116 166,0.00000686,-0.00102358,0.00029351,-0.00020509,-0.00002809,-0.00026 627,0.00057610,-0.00078872,-0.00066875,0.00082430,-0.00000522,0.000392 89,-0.00020603,-0.00004804,0.00015740,-0.00016204,-0.00062364,0.000024 61,-0.00034590,-0.00006613,-0.00000670,0.00000804,0.00048190,0.0005490 3,-0.00031081,-0.00106647,0.00100221,-0.00000888,-0.00398607,0.0017399 1,0.00031118,0.00013234,0.00060544,-0.00054721,-0.00020425,-0.00029939 ,0.00009800,0.00035279,0.00027899,-0.00029651,0.00006706,0.00001698,0. 00001759,0.00025701,0.00032808,0.00072819,-0.00000520,-0.00006429,-0.0 0010028,-0.00055407,0.00005639,-0.00045074,-0.00004543,-0.00003732,0.0 0004119,-0.00001325,0.00002170,0.00000157,-0.00000770,-0.00001192,0.00 003916,0.00000105,-0.00002157,-0.00001407,-0.11143973,0.02705866,-0.01 829104,-0.00201555,-0.00121517,-0.00136139,-0.00078181,0.00071092,-0.0 0066999,-0.00505127,-0.00604445,-0.00109844,0.02828397,-0.00782289,0.0 0868846,-0.00912502,0.01675185,-0.01185577,0.00012425,-0.00011016,0.00 009039,0.00101901,-0.00027816,0.00245187,-0.00157120,-0.00115913,0.001 02112,0.00023758,-0.00003599,0.00017832,-0.01539464,0.00690948,-0.0153 4621,0.00169581,0.00067223,-0.00002120,0.00039215,-0.00037997,0.000221 25,-0.00012795,0.00021639,0.00003358,-0.00110486,0.00199114,0.00186025 ,0.00110217,-0.00036464,0.00002773,0.37893533,-0.00200791,0.00254607,- 0.00054957,-0.00383569,-0.00082023,0.00426783,-0.00064055,0.00051283,0 .00038664,0.00005440,0.00079746,-0.00020499,0.00037707,-0.00073058,0.0 0055277,0.00053886,-0.00011296,0.00000155,-0.00022661,0.00081439,0.000 46258,0.00033924,-0.00007827,-0.00020105,0.00029816,0.00005350,-0.0001 7292,0.00260136,-0.00294768,-0.00267006,0.00604116,0.00033302,-0.00330 435,0.00099074,-0.00020465,-0.00084596,-0.00027009,0.00007957,0.000046 32,0.00037001,-0.00087008,0.00002646,-0.00018225,0.00020420,0.00004506 ,0.00157339,0.00074601,0.00015604,-0.00051346,-0.00017711,-0.00001112, -0.00113666,-0.00131914,0.00040372,0.00023403,0.00021413,-0.00006509,- 0.00001849,0.00001180,0.00000599,-0.00003018,-0.00005161,0.00001028,-0 .00002459,0.00000075,-0.00000529,0.05056297,-0.12125128,0.05099434,0.0 0297311,-0.00728661,-0.00335169,0.00001680,-0.00064564,0.00065523,-0.0 0011658,0.00041848,0.00248867,0.00243358,-0.01835764,0.01492784,0.0090 4037,-0.01227853,0.00846767,-0.00018562,0.00014402,-0.00016688,-0.0000 5931,-0.00004082,-0.00059540,0.00028447,-0.00062037,-0.00007008,-0.001 90771,0.00156987,-0.00166769,-0.01961159,0.01379616,-0.02052397,-0.003 95648,-0.00140322,0.00108595,-0.00023453,0.00056381,-0.00055982,0.0002 5951,-0.00023049,0.00002655,0.00095712,-0.00198705,-0.00215507,-0.0006 1425,0.00068655,0.00035627,-0.07581409,0.53848136,0.00071406,-0.000820 04,-0.00022778,0.00240329,0.00070126,-0.00102536,-0.00023672,0.0006632 3,0.00221290,0.00003160,-0.00025308,0.00096738,-0.00016985,-0.00003247 ,-0.00005851,-0.00009013,-0.00000774,-0.00045163,-0.00038600,0.0005959 0,0.00049004,0.00013512,-0.00003527,-0.00013211,-0.00033391,-0.0003128 9,0.00039205,-0.00125687,0.00056494,0.00042677,-0.00542686,-0.00089433 ,-0.00221514,0.00074155,0.00015034,-0.00221874,-0.00059073,-0.00031999 ,0.00054990,-0.00018909,-0.00021072,-0.00069295,0.00009597,0.00013994, 0.00008093,0.00171828,0.00020546,-0.00014301,-0.00086672,0.00021544,0. 00039973,-0.00143600,-0.00046388,0.00026995,0.00040281,0.00012281,-0.0 0004491,-0.00004693,-0.00001487,-0.00002167,-0.00003011,-0.00002855,-0 .00000949,-0.00003420,-0.00001074,0.00001443,-0.01875869,0.03037596,-0 .09307669,-0.00313151,-0.00162027,-0.00274108,0.00031596,0.00000367,-0 .00049004,0.00088487,0.00108706,-0.00015661,-0.00027340,0.02016224,-0. 01275159,0.01252620,-0.01311126,0.01174294,0.00000762,-0.00016667,0.00 018159,-0.00012289,-0.00010658,-0.00001382,-0.00017588,-0.00138521,0.0 0050828,-0.00013847,0.00023403,-0.00026701,-0.01848120,0.00644417,-0.0 1951005,0.00182869,0.00038072,-0.00028900,0.00087097,-0.00178766,0.000 95295,-0.00024978,0.00022650,0.00024057,-0.00006691,-0.00088484,0.0004 3698,0.00033493,0.00026073,-0.00038455,0.26799469,0.12991472,0.8942308 8,-0.00080134,0.00098533,-0.00016143,-0.00061370,-0.00034242,0.0010005 1,-0.00019425,0.00024497,0.00011663,0.00024606,0.00036492,-0.00025807, 0.00007388,-0.00030831,0.00031200,0.00013196,-0.00008755,0.00002169,-0 .00000803,0.00035067,0.00021913,0.00013910,-0.00001613,-0.00011042,-0. 00011186,-0.00015007,0.00007481,0.00097598,-0.00101096,-0.00052620,0.0 0211165,-0.00172752,-0.00038382,0.00025450,-0.00021634,-0.00019530,-0. 00005028,0.00011385,0.00001067,0.00000795,-0.00034345,0.00008707,-0.00 004561,0.00005648,0.00001459,-0.00003245,-0.00007601,-0.00045415,-0.00 001356,-0.00001573,0.00005360,0.00029103,-0.00013945,0.00033096,0.0000 4690,0.00006200,-0.00004685,0.00001471,-0.00000718,0.00000055,0.000005 41,-0.00000237,-0.00002083,-0.00000196,0.00001209,0.00000838,-0.000279 54,0.02354453,0.00442752,0.00232113,-0.00015204,0.00168479,-0.00015418 ,-0.00013726,0.00032146,0.00081154,0.00106385,0.00082376,-0.00611273,0 .00013546,0.00074805,-0.00162296,0.00183386,-0.00181745,0.00000896,0.0 0017225,-0.00012331,-0.00017027,0.00006947,-0.00056823,0.00052947,0.00 004511,-0.00033080,-0.00022326,0.00010748,-0.00019493,-0.00308451,0.00 405295,-0.00245796,-0.00130353,-0.00019635,-0.00002297,-0.00022401,0.0 0063325,-0.00050939,0.00011756,-0.00018026,-0.00001013,0.00064130,-0.0 0064683,-0.00084700,-0.00054554,0.00022767,0.00001242,-0.08487095,0.04 827988,-0.00550708,0.17854150,0.00145577,-0.00177600,0.00034731,0.0031 0090,0.00034662,-0.00313393,0.00051117,-0.00028438,-0.00036153,0.00015 508,-0.00044286,0.00015516,-0.00025538,0.00038714,-0.00034190,-0.00035 926,0.00007784,0.00002324,0.00022286,-0.00059945,-0.00021927,-0.000254 40,0.00004476,0.00017591,-0.00023877,-0.00003678,0.00017400,-0.0018556 1,0.00212774,0.00164581,-0.00464621,-0.00181306,0.00303579,-0.00069117 ,0.00014481,0.00064349,0.00025555,-0.00003436,-0.00007103,-0.00043952, 0.00062399,-0.00004801,0.00014072,-0.00015874,-0.00002990,-0.00052415, -0.00066979,-0.00032009,0.00005396,0.00029156,0.00015657,0.00038795,0. 00090537,-0.00010852,-0.00004799,-0.00014344,0.00005490,-0.00001121,-0 .00002429,-0.00001604,0.00001102,0.00004008,-0.00001828,0.00000379,-0. 00000425,0.00000983,0.00880816,-0.03107623,-0.01423486,-0.00322728,0.0 0128923,-0.00127562,-0.00015786,-0.00001290,-0.00083958,-0.00100561,-0 .00136251,-0.00185935,0.00552633,0.00164192,-0.00098610,0.00146343,-0. 00185362,0.00299145,0.00014882,-0.00012115,0.00020513,0.00025475,-0.00 006490,0.00084436,-0.00038790,0.00028740,0.00011876,0.00060083,-0.0004 3488,0.00050876,0.00498990,-0.00036149,0.00495541,0.00246489,0.0011181 2,-0.00035798,0.00057109,-0.00084214,0.00110590,-0.00025360,0.00014309 ,-0.00000505,-0.00067873,0.00137608,0.00183042,0.00056893,-0.00038481, -0.00032235,0.04269825,-0.21324651,-0.05600210,-0.13281739,0.42837346, -0.00005737,0.00004455,0.00022747,-0.00078631,-0.00025310,-0.00006298, 0.00003715,-0.00035476,-0.00069564,-0.00018900,-0.00011098,-0.00044859 ,0.00002828,0.00021714,-0.00011987,-0.00000634,0.00000484,0.00014696,0 .00002340,-0.00006716,-0.00018952,-0.00010452,0.00002013,0.00003240,0. 00012621,0.00013977,-0.00012737,0.00028812,0.00006832,0.00022353,0.001 30893,0.00184839,0.00035964,-0.00025949,0.00005277,0.00086949,0.000209 83,0.00009881,-0.00023741,0.00019325,0.00014920,0.00035273,-0.00003958 ,-0.00007581,-0.00004910,-0.00165356,-0.00018399,0.00010292,0.00079033 ,-0.00020152,-0.00031611,0.00134872,0.00056868,-0.00034245,-0.00034373 ,-0.00010577,0.00002506,0.00004815,0.00001704,0.00001910,0.00003308,0. 00002211,0.00000834,0.00003259,0.00000944,-0.00001062,-0.00764328,0.01 191000,0.00999372,0.00184749,0.00025910,0.00119873,-0.00013565,-0.0001 3696,-0.00021041,-0.00010214,-0.00059027,-0.00044746,0.00029742,-0.000 68505,-0.00039150,-0.00209967,0.00269216,-0.00181530,0.00003744,0.0001 2970,-0.00002208,0.00004106,0.00014999,0.00009212,-0.00010414,0.000252 32,0.00008000,0.00006878,-0.00006173,0.00008064,-0.00234420,0.00379662 ,0.00014385,-0.00091996,-0.00000177,0.00023943,-0.00020988,0.00051888, 0.00004376,0.00005255,-0.00010181,-0.00007561,-0.00018290,0.00094137,0 .00007053,-0.00009502,-0.00029077,0.00016454,-0.01331393,-0.03873324,- 0.12999290,0.08697169,0.04261870,0.30966853,-0.00045923,0.00059763,0.0 0013170,0.00005404,-0.00015945,-0.00000699,0.00008891,-0.00004219,-0.0 0084316,0.00056628,0.00046703,-0.00080321,-0.00002286,-0.00015582,0.00 010421,-0.00001031,-0.00009175,0.00020582,0.00040246,-0.00036039,-0.00 009961,-0.00001537,0.00002635,0.00003245,-0.00012928,-0.00015178,0.000 05199,0.00059131,-0.00042400,0.00022015,0.00198162,-0.00135747,0.00214 269,-0.00033970,-0.00047369,0.00092179,0.00032420,0.00033788,-0.000194 77,-0.00025927,-0.00005835,0.00034335,-0.00002829,-0.00005729,-0.00001 730,-0.00058894,-0.00034716,-0.00049099,0.00017178,0.00003452,0.000027 66,0.00069997,0.00021061,0.00020485,-0.00004349,-0.00001445,-0.0000186 3,0.00001886,-0.00001452,-0.00000023,0.00001341,0.00001687,-0.00002798 ,0.00000696,0.00001588,0.00000955,0.00488571,0.00319035,-0.02888073,0. 00205661,-0.00167251,-0.00000263,-0.00001312,-0.00048917,0.00030938,0. 00137010,0.00159392,0.00044709,-0.00784636,0.00050533,-0.00192545,0.00 152987,-0.00338726,0.00057085,0.00003086,0.00013788,-0.00006748,-0.000 28359,0.00011387,-0.00070586,0.00040908,0.00053584,-0.00040615,-0.0004 9672,0.00036201,-0.00042801,-0.00375371,0.00213135,-0.00509867,-0.0013 6500,-0.00020862,0.00024492,-0.00009726,0.00048309,-0.00012530,0.00008 502,-0.00018539,0.00001261,0.00056857,-0.00039579,-0.00058919,-0.00053 854,0.00007679,0.00000847,-0.16658120,-0.03606689,-0.22570603,0.028694 20,-0.00727422,-0.00455277,0.14110343,0.00063177,-0.00080394,0.0001930 1,0.00133976,0.00023302,-0.00149088,0.00028789,-0.00026036,-0.00049419 ,0.00004650,-0.00023011,0.00003284,-0.00013577,0.00023546,-0.00018079, -0.00018841,0.00004772,0.00007636,0.00012006,-0.00036481,-0.00012224,- 0.00011646,0.00003278,0.00008446,-0.00008382,-0.00000942,0.00001595,-0 .00079012,0.00096941,0.00085397,-0.00138198,-0.00048072,0.00234590,-0. 00050917,0.00005349,0.00061165,0.00018986,0.00000639,-0.00005890,-0.00 017478,0.00033120,0.00002543,0.00006796,-0.00008615,-0.00002069,-0.000 49772,-0.00030700,-0.00012329,0.00014360,0.00009001,0.00002658,0.00038 406,0.00046870,-0.00010202,-0.00006549,-0.00007543,0.00002291,0.000004 40,-0.00000766,-0.00000436,0.00000953,0.00001980,-0.00000737,0.0000072 2,0.00000027,0.00000366,0.00619105,0.01608448,0.00763071,-0.00175965,0 .00236316,0.00048713,0.00003904,0.00009571,-0.00024121,-0.00008654,0.0 0010686,-0.00099575,-0.00038202,0.00003787,-0.00058472,-0.00103711,0.0 0142199,0.00076562,0.00005687,-0.00005806,0.00007698,0.00001259,-0.000 01357,0.00016858,-0.00011227,0.00070720,-0.00018565,0.00060180,-0.0005 1204,0.00050510,0.00530533,-0.00259847,0.00683147,0.00134127,0.0004686 6,-0.00037201,0.00009755,-0.00018675,0.00025283,-0.00009833,0.00006695 ,-0.00001571,-0.00029511,0.00065625,0.00081410,0.00020306,-0.00022797, -0.00012215,-0.03778594,-0.13450012,-0.13748318,-0.00813465,-0.0310838 6,-0.07008314,0.04313489,0.14390945,-0.00029852,0.00036045,0.00013663, -0.00088827,-0.00055625,0.00041672,0.00010662,-0.00039687,-0.00109400, -0.00011841,0.00008322,-0.00047483,0.00010254,0.00006144,0.00001737,0. 00004066,0.00001965,0.00021625,0.00019811,-0.00027259,-0.00027211,-0.0 0008940,0.00001149,0.00006498,0.00002323,-0.00000489,-0.00008573,0.000 61600,-0.00018858,-0.00003708,0.00211515,0.00135834,0.00002299,-0.0003 1655,0.00002013,0.00117128,0.00031287,0.00013535,-0.00035562,0.0001918 2,0.00013638,0.00039297,-0.00005327,-0.00007821,-0.00005099,-0.0012234 2,-0.00015736,0.00003572,0.00060740,-0.00014163,-0.00025850,0.00104045 ,0.00035345,-0.00013205,-0.00027886,-0.00008113,0.00002408,0.00003418, 0.00000946,0.00001617,0.00002284,0.00001992,0.00000451,0.00002325,0.00 000845,-0.00000949,-0.01852662,-0.00607794,-0.02937817,0.00357717,-0.0 0301799,-0.00002360,-0.00012072,-0.00077924,-0.00011359,0.00030175,0.0 0019323,0.00034289,-0.00310224,-0.00274517,0.00156494,-0.00100650,0.00 009948,0.00012067,0.00003178,0.00025698,-0.00004600,-0.00004208,0.0000 9868,-0.00030118,0.00048945,0.00088986,-0.00068772,-0.00070130,0.00056 114,-0.00053546,-0.00764826,0.00659998,-0.00528092,-0.00251339,-0.0001 3919,0.00084253,-0.00030761,0.00092126,0.00025202,0.00011238,-0.000230 80,-0.00016448,0.00023648,0.00031491,-0.00038026,-0.00034211,-0.000080 01,0.00017486,-0.22751996,-0.13006537,-0.65814365,-0.00593083,-0.06849 199,-0.04744553,0.26174815,0.19450907,0.74102948,0.00075838,-0.0008468 0,-0.00001711,0.00125437,0.00008768,-0.00087058,0.00033687,-0.00013002 ,-0.00006487,-0.00029365,-0.00024235,0.00055518,-0.00006738,0.00016793 ,-0.00012169,-0.00012988,0.00013473,-0.00005705,0.00004049,-0.00056280 ,-0.00009667,-0.00009487,0.00000581,0.00011425,-0.00013797,-0.00004699 ,0.00007327,-0.00089411,0.00089223,0.00037398,-0.00176922,-0.00093540, 0.00075295,-0.00018602,0.00021492,0.00001695,0.00000508,-0.00017102,0. 00001531,0.00002408,0.00030548,-0.00023072,0.00005783,-0.00000868,0.00 000083,0.00073688,0.00022709,0.00038679,-0.00026578,0.00006931,0.00004 407,-0.00078160,-0.00019179,-0.00011364,0.00007652,-0.00000707,0.00002 995,-0.00003203,0.00000207,-0.00000331,-0.00001924,-0.00000954,0.00001 756,-0.00001158,-0.00001446,-0.00000669,0.00439329,0.00061318,-0.00257 311,-0.00106222,0.00059596,-0.00061422,0.00013051,0.00012697,-0.000106 85,-0.00004393,0.00019149,-0.00021614,0.00015627,0.00117934,-0.0007347 3,0.00038214,-0.00042134,0.00045193,-0.00001105,-0.00006595,0.00005048 ,-0.00000774,-0.00006190,0.00005169,-0.00005116,0.00006138,-0.00002452 ,0.00011862,-0.00008085,0.00010469,0.00115628,-0.00061379,0.00128518,0 .00066859,-0.00001899,0.00000413,0.00006188,-0.00031746,0.00015496,-0. 00005238,0.00010813,-0.00001299,-0.00020107,-0.00012254,0.00034039,0.0 0031245,0.00002298,-0.00011747,-0.00715364,0.02652918,0.00523629,-0.09 965899,0.03854188,-0.03413637,-0.00555963,-0.00775932,-0.00556059,0.55 533600,-0.00048545,0.00057366,-0.00009849,-0.00147801,-0.00025770,0.00 115017,-0.00017570,-0.00006383,0.00000954,-0.00029842,0.00001888,-0.00 005868,0.00012119,0.00001870,0.00008691,0.00013010,0.00001225,0.000002 57,-0.00024767,0.00006841,-0.00008135,0.00007229,0.00000027,-0.0000500 8,0.00015249,0.00009696,-0.00012320,0.00072285,-0.00069879,-0.00056667 ,0.00100819,0.00124803,-0.00086844,0.00023192,0.00007569,-0.00006704,- 0.00007928,-0.00002450,-0.00003526,0.00036617,-0.00014512,0.00006912,- 0.00006657,0.00005618,-0.00000241,-0.00055601,0.00042891,0.00043740,0. 00038872,-0.00032039,-0.00025956,0.00037578,-0.00024731,-0.00019321,-0 .00013757,0.00002830,-0.00001841,0.00003228,0.00003207,0.00002174,0.00 000702,-0.00001866,0.00002421,0.00001506,0.00000378,-0.00001431,0.0014 0474,-0.00093460,-0.00413478,0.00200880,-0.00038532,0.00103236,-0.0000 9833,-0.00014484,-0.00023409,0.00013156,0.00001815,0.00036351,-0.00023 372,-0.00054918,0.00014722,0.00034340,-0.00052256,0.00057759,-0.000027 81,0.00014716,-0.00005529,-0.00001912,0.00005628,-0.00014191,0.0000483 2,0.00003949,-0.00004205,-0.00013291,0.00011716,-0.00012482,-0.0024162 5,0.00177100,-0.00170202,-0.00131434,-0.00018517,0.00020167,-0.0001275 6,0.00025928,0.00003657,0.00006983,-0.00010097,-0.00001522,0.00007636, 0.00002800,-0.00052878,-0.00018821,-0.00002116,0.00024996,0.02896087,- 0.05593859,0.00922440,0.02994199,-0.11192192,0.02131237,0.00036969,0.0 0555450,0.01145714,0.05936873,0.55056027,0.00040049,-0.00044357,-0.000 02356,0.00089157,0.00022434,-0.00059704,0.00021462,0.00000945,-0.00001 137,-0.00003151,-0.00006708,0.00034336,-0.00009049,0.00000930,-0.00000 979,-0.00009731,0.00005966,-0.00003401,0.00016456,-0.00026067,-0.00010 081,-0.00003653,0.00001410,0.00006989,-0.00007912,-0.00004094,0.000047 94,-0.00056466,0.00048543,0.00026521,-0.00100888,-0.00051221,0.0004918 6,-0.00013740,0.00002264,-0.00004737,0.00001389,-0.00005313,0.00004586 ,-0.00010921,0.00014150,-0.00017759,0.00005480,0.00000182,0.00002026,0 .00074567,0.00010523,0.00005516,-0.00033843,0.00010379,0.00013514,-0.0 0062444,-0.00020466,0.00004670,0.00014979,0.00002234,0.00000046,-0.000 02656,-0.00000646,-0.00000805,-0.00001686,-0.00000880,-0.00000034,-0.0 0001406,-0.00000624,0.00000239,-0.00117904,-0.00525230,-0.00097150,-0. 00110206,0.00032184,-0.00032716,-0.00002124,0.00010075,-0.00005043,-0. 00028909,-0.00015720,-0.00022509,0.00127963,0.00017614,-0.00018044,0.0 0042499,-0.00045292,0.00039985,0.00002103,-0.00005809,0.00003745,0.000 05523,-0.00006162,0.00015732,-0.00007789,-0.00001817,0.00004636,0.0000 8165,-0.00006846,0.00005888,0.00051438,0.00022879,0.00049310,0.0006614 4,0.00015565,-0.00019204,0.00015497,-0.00027630,0.00008665,-0.00005609 ,0.00006344,0.00002412,-0.00008554,-0.00002000,0.00030131,0.00017517,0 .00003571,-0.00010832,0.00714477,0.00371192,0.02221378,-0.04504193,0.0 4378477,-0.12543258,0.00123228,-0.00491487,-0.00789214,-0.05337597,0.0 7965761,0.56514173,-0.00019301,0.00020426,-0.00001332,-0.00021751,0.00 003854,0.00018478,-0.00008740,0.00005892,0.00006269,0.00016418,0.00008 213,-0.00009164,-0.00000686,-0.00006051,0.00003229,0.00002786,-0.00003 776,0.00000702,-0.00000102,0.00012914,0.00009962,0.00005307,-0.0000022 0,-0.00003655,0.00002778,0.00000371,-0.00001313,0.00019016,-0.00022696 ,-0.00008938,0.00034056,0.00014957,-0.00014952,0.00003721,-0.00006599, -0.00006606,-0.00000704,0.00002863,0.00002853,-0.00008113,-0.00008424, 0.00000477,-0.00000625,0.00000473,0.00000223,-0.00004319,-0.00005900,- 0.00014845,-0.00001506,0.00000834,0.00002980,0.00009455,0.00000972,0.0 0006271,0.00002560,0.00001143,-0.00000984,0.00000417,-0.00000267,-0.00 000251,0.00000176,0.00000099,-0.00000665,-0.00000040,0.00000284,0.0000 0397,-0.00057111,-0.00035606,0.00034014,0.00022034,-0.00010310,0.00007 109,-0.00001989,-0.00000885,0.00001797,0.00002402,-0.00000745,0.000049 57,-0.00009951,-0.00017231,0.00010018,-0.00004389,0.00008799,-0.000049 29,0.00000195,0.00000903,-0.00000783,-0.00000549,0.00000769,-0.0000172 2,0.00001730,-0.00000946,-0.00000012,-0.00002990,0.00001827,-0.0000242 2,-0.00028890,0.00013103,-0.00021683,-0.00014219,-0.00004522,0.0000393 7,-0.00001105,0.00003230,-0.00002628,0.00000849,-0.00000440,0.00000004 ,0.00004294,-0.00000688,-0.00006800,-0.00006444,0.00000419,0.00001516, 0.00159219,-0.00151683,-0.00159936,0.00885617,0.01022529,-0.02415950,- 0.00040148,0.00137351,0.00022282,-0.12075866,-0.02326409,0.12158048,0. 12306936,0.00004244,-0.00004699,0.00001556,0.00011921,0.,-0.00008629,- 0.00001388,0.00001957,0.00004906,0.00004390,-0.00000024,-0.00003761,0. 00000384,0.00000156,-0.00002298,-0.00000237,-0.00000909,-0.00000613,0. 00001182,0.00003811,0.00002391,-0.00001616,-0.00000340,0.00000157,-0.0 0001539,-0.00001134,0.00001797,-0.00005389,0.00005431,0.00003616,-0.00 011796,-0.00015108,0.00003464,0.00000267,-0.00000373,-0.00003504,-0.00 000865,-0.00000263,0.00001619,-0.00003261,-0.00000206,0.00000194,-0.00 000186,-0.00000572,-0.00000274,-0.00000524,-0.00005208,-0.00002177,-0. 00000427,0.00002347,0.00000455,0.00000081,0.00005229,-0.00000054,-0.00 000819,-0.00000788,0.00000557,-0.00000196,-0.00000198,-0.00000062,0.00 000128,0.00000286,-0.00000122,0.00000008,0.00000024,0.00000006,0.00070 304,0.00030691,-0.00045397,-0.00014284,0.00002572,-0.00008673,0.000011 97,0.00000819,0.00000897,0.00002255,0.00002977,-0.00001314,-0.00010021 ,0.00018478,-0.00006496,0.00010517,-0.00013747,0.00006232,0.,-0.000008 72,0.00000268,-0.00000495,-0.00000289,-0.00000294,0.00000678,-0.000015 49,0.00000419,0.00000996,-0.00000191,0.00000449,0.00001930,-0.00013440 ,-0.00003521,0.00006645,-0.00000373,-0.00000957,0.00001015,-0.00003138 ,0.00000523,-0.00000359,0.00000841,0.00000448,-0.00000488,-0.00001993, 0.00002798,0.00001468,0.00000383,-0.00002174,-0.00009554,0.00427149,0. 00737699,-0.00430296,-0.01404278,0.02448902,-0.00115201,-0.00038119,-0 .00319800,-0.01879862,-0.05641166,0.02953336,0.01746855,0.05983367,-0. 00006567,0.00006755,0.00000011,-0.00017107,-0.00003077,0.00012461,-0.0 0003303,0.00000243,0.00000771,-0.00000109,0.00000485,-0.00004519,0.000 01928,-0.00000318,0.00000021,0.00001690,-0.00000842,0.00000299,-0.0000 0674,0.00005563,0.00000779,0.00000308,-0.00000237,-0.00000876,0.000019 02,0.00001282,-0.00001397,0.00008589,-0.00007615,-0.00005346,0.0001674 3,0.00015811,-0.00008384,0.00002453,0.00000178,-0.00000544,-0.00000759 ,0.00000237,-0.00000036,0.00001864,-0.00002119,0.00002243,-0.00001100, 0.00000023,-0.00000332,-0.00013120,-0.00000271,0.00001913,0.00006666,- 0.00002492,-0.00003436,0.00010215,0.00002802,-0.00002737,-0.00002920,- 0.00000527,0.00000239,0.00000416,0.00000246,0.00000222,0.00000309,0.00 000093,0.00000139,0.00000282,0.00000112,-0.00000150,-0.00003350,0.0001 7921,-0.00003903,0.00027548,-0.00006226,0.00010234,-0.00000255,-0.0000 1179,-0.00000579,0.00002894,-0.00003394,0.00002519,-0.00000601,-0.0001 4036,0.00008306,-0.00004812,0.00004276,-0.00006150,-0.00000435,0.00001 091,-0.00000667,-0.00000517,0.00000931,-0.00001136,0.00000899,0.000005 58,-0.00000560,-0.00001309,0.00001579,-0.00000963,-0.00023798,0.000101 89,-0.00006823,-0.00019447,-0.00007147,0.00006325,-0.00003195,0.000033 84,-0.00000794,0.00001130,-0.00000174,-0.00000456,-0.00001299,0.000043 96,-0.00005219,-0.00002055,-0.00001696,0.00003107,0.00068962,-0.004670 04,-0.00213284,-0.00183959,0.01302212,-0.01799771,0.00054657,0.0001013 8,0.00173757,0.11592851,0.03580337,-0.25379030,-0.12136309,-0.04467621 ,0.27641820,-0.00013026,0.00014117,-0.00000246,-0.00012256,0.00002617, 0.00006269,-0.00002506,0.00003340,-0.00003832,0.00003856,0.00000912,-0 .00002829,0.00000554,-0.00006201,0.00001233,0.00001092,-0.00002296,0.0 0001560,0.00012965,0.00012753,0.00003009,0.00002483,0.00000116,0.00000 145,0.00001122,-0.00000546,-0.00000294,0.00012829,-0.00012728,-0.00003 257,0.00031776,0.00003807,-0.00003119,-0.00000052,-0.00005522,0.000030 76,0.00001975,0.00003676,-0.00001022,-0.00006457,-0.00003349,0.0000398 2,-0.00001270,-0.00000304,-0.00000828,-0.00008322,-0.00005726,-0.00011 069,0.00001726,0.00000534,0.00001024,0.00011866,0.00002920,0.00004594, 0.00000311,0.00000200,-0.00000478,0.00000368,-0.00000149,-0.00000036,0 .00000276,0.00000175,-0.00000481,0.00000035,0.00000279,0.00000159,0.00 004332,0.00007212,-0.00000418,0.00026581,-0.00006105,0.00019566,-0.000 03659,-0.00002533,-0.00001361,0.00002964,0.00001093,0.00002939,-0.0002 9677,-0.00004612,0.00006028,-0.00001209,0.00004116,0.00002592,0.000007 21,0.00002467,-0.00000866,-0.00000122,0.00001198,-0.00002362,0.0000340 0,0.00000974,-0.00001591,-0.00001677,0.00000661,-0.00001561,-0.0001391 1,0.00026228,-0.00012937,-0.00012396,0.00002825,-0.00000831,0.00000035 ,0.00005721,-0.00000953,0.00000672,-0.00002433,0.00000094,0.00005907,0 .00000931,-0.00005181,-0.00006616,0.00000416,0.00000513,-0.00031282,-0 .00560827,-0.00526636,-0.01803190,0.00796103,-0.00868490,0.00169346,0. 00011887,0.00276270,-0.27368953,-0.09707571,-0.03707878,-0.01223219,-0 .00752185,-0.00237535,0.29709535,0.00000751,-0.00005094,-0.00004825,0. 00004396,0.00002852,0.00003992,0.00005279,-0.00001197,0.00000548,-0.00 033481,-0.00015719,0.00034887,-0.00001836,0.00006617,0.00001528,-0.000 00894,0.00003393,-0.00001653,-0.00005213,-0.00000927,-0.00006844,0.000 04091,-0.00000112,-0.00004994,0.00000085,0.00000546,-0.00000592,-0.000 01356,-0.00001044,-0.00001342,-0.00013755,0.00009658,-0.00006278,0.000 00407,0.00005181,-0.00005375,-0.00002569,-0.00003416,0.00000676,0.0001 4268,-0.00000185,-0.00005593,0.00001539,0.00002765,0.00000794,-0.00002 464,0.00004596,0.00002742,0.00001851,-0.00002342,-0.00000714,-0.000005 33,-0.00001295,-0.00000907,-0.00000889,0.00000962,-0.00001058,0.000005 14,0.00000259,0.00000021,0.00000133,-0.00000290,0.00000247,0.00000119, -0.00000178,0.00000049,-0.00093652,-0.00052685,0.00065888,-0.00027440, 0.00001584,-0.00014838,0.00000661,0.00000905,0.00001345,-0.00008558,-0 .00008133,-0.00003103,0.00047472,-0.00010054,0.00007019,-0.00002424,0. 00005022,-0.00004011,-0.00000129,-0.00001924,0.00000741,0.00001505,-0. 00001173,0.00004796,-0.00003435,-0.00002424,0.00003225,0.00001375,-0.0 0001126,0.00001395,0.00010421,-0.00016727,0.00005456,0.00015033,0.0000 4361,-0.00003265,0.00001537,-0.00002561,0.00000019,-0.00000764,0.00000 464,0.00000395,-0.00002207,0.00002753,0.00004842,0.00002518,-0.0000020 4,-0.00000231,0.00218698,0.00414070,0.00365094,0.03081810,0.00328485,0 .00739919,-0.00034063,-0.00073041,-0.00181715,-0.10472958,-0.09589932, -0.01923906,-0.00377309,-0.00066997,-0.00235962,0.10119557,0.09846350, -0.00025167,0.00027746,-0.00004196,-0.00019357,0.00005851,0.00021714,- 0.00011796,0.00009741,0.00011171,0.00029476,0.00013521,-0.00010590,0.0 0002817,-0.00009191,0.00003389,0.00003550,-0.00005090,0.00000117,-0.00 001511,0.00018574,0.00029535,0.00007028,-0.00001123,-0.00006145,0.0000 1518,-0.00001431,-0.00000378,0.00024996,-0.00030730,-0.00011231,0.0003 9335,-0.00005565,-0.00014249,0.00005938,-0.00009263,-0.00012829,-0.000 02209,0.00001516,0.00005573,-0.00014833,-0.00012153,-0.00001824,-0.000 01444,0.00001041,-0.00000776,-0.00005837,-0.00008989,-0.00024438,-0.00 002603,0.00001800,0.00005156,0.00014199,0.00002185,0.00011158,0.000041 64,0.00001818,-0.00001591,0.00000584,-0.00000415,-0.00000363,0.0000033 1,0.00000094,-0.00001131,-0.00000112,0.00000401,0.00000563,0.00023653, 0.00009364,-0.00023732,0.00030872,-0.00009203,0.00015437,-0.00004118,- 0.00002140,0.00000603,0.00006356,0.00005562,0.00007344,-0.00045463,-0. 00001950,0.00007483,0.00003370,0.00000635,0.00003298,0.00000673,0.0000 2378,-0.00001197,-0.00001163,0.00001151,-0.00004346,0.00005200,-0.0000 0956,-0.00001474,-0.00003026,0.00001873,-0.00002804,-0.00033231,0.0002 5656,-0.00030428,-0.00017605,-0.00001846,0.00002539,-0.00000174,0.0000 4746,-0.00002434,0.00000963,-0.00001566,0.00000140,0.00009387,-0.00003 498,-0.00008916,-0.00010441,0.00002609,0.00000046,0.00090078,-0.003266 21,-0.00041081,-0.02342409,0.00110143,-0.00753801,-0.00036193,0.001099 20,0.00059387,-0.03574510,-0.01719582,-0.05828240,0.02615547,0.0106674 1,0.00711779,0.04889418,0.01413845,0.06032883,0.00001179,0.00000113,0. 00004647,-0.00004959,-0.00004721,-0.00001529,-0.00002678,-0.00000195,- 0.00000873,0.00007403,0.00002507,-0.00014502,0.00003396,-0.00002657,-0 .00003214,0.00000730,-0.00001912,0.00001138,0.00002039,0.00004422,-0.0 0001093,-0.00004545,-0.00000908,0.00002826,0.00000150,0.00000288,0.000 00335,-0.00000281,0.00003428,0.00000283,0.00012715,0.00000632,-0.00000 256,-0.00000382,-0.00001076,0.00004707,0.00001513,0.00002300,-0.000015 42,-0.00004322,0.00000843,0.00005259,-0.00000842,-0.00002009,-0.000004 53,0.00002050,-0.00005889,0.00001385,-0.00000969,0.00003242,-0.0000069 6,-0.00002940,0.00002719,-0.00002168,-0.00001105,-0.00001437,0.0000150 7,-0.00000580,-0.00000306,-0.00000067,0.00000003,0.00000362,-0.0000008 1,-0.00000027,0.00000021,-0.00000159,0.00023983,0.00081564,0.00069815, 0.00016779,-0.00004794,0.00004808,0.00001196,0.00000257,0.00003233,0.0 0006081,0.00004789,0.00004291,-0.00028870,-0.00003772,0.00000058,-0.00 010726,0.00011840,-0.00012979,-0.00000373,0.00000282,-0.00000654,-0.00 001369,0.00000511,-0.00003367,0.00001428,0.00000555,-0.00000872,-0.000 01985,0.00002113,-0.00001724,-0.00005896,-0.00012774,-0.00007740,-0.00 011078,-0.00006911,0.00003188,-0.00003033,0.00002990,-0.00003344,0.000 01003,0.00000123,-0.00000253,0.00000039,-0.00003263,-0.00004549,0.0000 0223,-0.00000626,0.00000822,-0.00200078,0.00062540,-0.00451536,-0.0055 0128,0.02382392,0.00828633,0.00140891,-0.00058214,0.00098730,-0.052974 33,0.00193132,0.00609501,0.00056386,0.01365262,0.00844633,0.00542239,- 0.02443016,-0.01641753,0.05292411,0.00013905,-0.00016611,0.00006139,0. 00023193,0.00000603,-0.00027292,0.00001446,-0.00002150,-0.00000744,0.0 0004327,-0.00002469,-0.00009553,0.00000883,0.00004009,-0.00005685,-0.0 0002223,-0.00000587,0.00000378,0.00002863,-0.00001050,-0.00000501,-0.0 0005981,-0.00000099,0.00002778,-0.00001641,-0.00000498,0.00001867,-0.0 0016002,0.00020340,0.00014778,-0.00030353,-0.00008989,0.00020857,-0.00 004350,0.00001202,0.00005808,0.00001862,0.00000658,-0.00000980,-0.0000 4424,0.00004795,0.00003761,0.00000145,-0.00002277,-0.00000755,-0.00015 015,-0.00010185,-0.00000762,0.00005591,0.00002267,-0.00001329,0.000103 84,0.00015167,-0.00004385,-0.00003944,-0.00002565,0.00001270,-0.000000 10,-0.00000181,0.00000037,0.00000371,0.00000695,-0.00000106,0.00000292 ,0.00000080,-0.00000076,-0.00004931,-0.00081417,-0.00103147,-0.0002645 6,0.00009855,-0.00014120,0.00000747,0.00000687,-0.00004943,-0.00005410 ,-0.00009679,-0.00014711,0.00035043,0.00010795,-0.00005943,0.00015765, -0.00018454,0.00025176,0.00000778,-0.00001300,0.00001447,0.00001513,-0 .00000259,0.00005770,-0.00002888,0.00000141,0.00001484,0.00004310,-0.0 0003032,0.00003636,0.00017373,0.00007325,0.00027667,0.00016417,0.00005 685,-0.00000935,0.00003087,-0.00006175,0.00007222,-0.00001558,0.000013 40,-0.00000033,-0.00006637,0.00011694,0.00013512,0.00004944,-0.0000366 6,-0.00002691,0.00154545,0.00067193,0.00474250,0.00701888,-0.02590130, -0.00735315,-0.00019275,0.00045739,-0.00058678,0.00715160,-0.23817242, -0.12701417,-0.00046865,0.00753397,0.00231701,0.00040215,-0.00756041,- 0.00694429,-0.01604033,0.26422643,-0.00001826,0.00004671,0.00000098,-0 .00000304,0.00000736,-0.00000443,-0.00000659,0.00000717,-0.00001572,0. 00006480,0.00003149,-0.00003664,-0.00000587,-0.00003193,-0.00000229,-0 .00000037,-0.00000983,0.00000857,-0.00000077,0.00000389,0.00001645,0.0 0001318,0.00000272,0.00000151,-0.00000189,-0.00000341,0.00000167,0.000 01582,-0.00002069,-0.00000127,0.00010197,-0.00004382,0.00001092,-0.000 01162,-0.00002494,0.00002349,0.00001545,0.00001989,-0.00000833,-0.0000 4501,-0.00000502,0.00000749,0.00000596,-0.00000562,0.00000228,0.000139 77,-0.00002067,-0.00006354,-0.00007469,0.00003753,0.00004158,-0.000082 18,-0.00005152,0.00005148,0.00003874,0.00000565,-0.00000306,-0.0000048 4,-0.00000520,-0.00000297,-0.00000313,0.00000005,-0.00000393,-0.000003 34,0.,0.00000298,-0.00017863,0.00080552,0.00070950,-0.00004437,0.00000 524,0.00000980,-0.00000058,0.00000716,0.00003386,0.00000829,0.00003583 ,0.00001901,-0.00018497,-0.00001852,0.00004418,-0.00016752,0.00018428, -0.00014527,0.00000138,-0.00000397,-0.00000140,-0.00000245,-0.00000198 ,-0.00001444,0.00001320,0.00000756,-0.00001191,-0.00000443,-0.00000087 ,0.00000152,0.00018002,-0.00014740,0.00010737,0.00004208,0.00001415,-0 .00001494,-0.00000179,0.00001614,-0.00002729,0.00000020,-0.00000126,-0 .00000270,0.00002958,-0.00004004,-0.00000687,-0.00001097,0.00001219,-0 .00001371,-0.00296130,0.00109288,-0.00564299,-0.00559603,0.02727720,0. 01064549,0.00155741,-0.00178672,0.00239832,0.01015980,-0.13656369,-0.1 4095181,-0.00111399,-0.02355864,-0.01156365,0.00146464,-0.00248381,-0. 00166815,-0.00318622,0.13511312,0.14620726,-0.00005164,0.00007023,-0.0 0001212,-0.00017676,-0.00007179,0.00014981,-0.00001697,-0.00001791,-0. 00000961,-0.00005430,0.00000051,-0.00000238,0.00003108,-0.00000205,0.0 0000768,0.00002131,0.00000562,-0.00000108,-0.00000759,0.00000497,-0.00 000824,-0.00000385,-0.00000510,0.00000373,0.00000106,-0.00000063,-0.00 000782,0.00011179,-0.00007313,-0.00007870,0.00026391,0.00008729,-0.000 10121,0.00003334,0.00002368,-0.00000006,-0.00001190,-0.00001423,-0.000 00435,0.00005647,-0.00000557,0.00001419,-0.00001580,0.00000210,-0.0000 0427,-0.00012248,0.00005242,0.00009448,0.00009006,-0.00004365,-0.00006 740,0.00008029,-0.00001115,-0.00004767,-0.00004441,-0.00000885,0.00000 939,0.00000371,0.00000561,0.00000317,0.00000187,0.00000016,0.00000663, 0.00000380,-0.00000115,-0.00000387,-0.00026835,-0.00018846,-0.00022131 ,-0.00039652,-0.00096739,-0.00256047,0.00017046,-0.00064648,0.00034435 ,-0.00006082,0.00006544,0.00004018,-0.00016679,0.00001064,0.00007088,0 .00001399,-0.00001082,0.00004818,0.00000498,0.00006421,-0.00006729,0.0 0007212,0.00002280,-0.00001860,0.00003476,0.00001800,-0.00001599,-0.00 009299,0.00008792,0.00066482,0.00024543,0.00034522,0.00040117,-0.00848 184,-0.01365717,-0.00857287,-0.00008986,0.00040717,0.00004775,0.000097 57,-0.00015164,0.00015326,0.00013479,0.00000797,-0.00014909,-0.0000606 1,0.00002811,0.00004923,-0.00017004,0.00016568,-0.00008659,0.00014517, -0.00012979,0.00003673,0.00012185,-0.00006010,0.00009929,-0.00009261,0 .00009904,-0.00004592,-0.00000101,-0.00000355,-0.00000197,0.00001961,- 0.00000200,0.00001100,-0.00000364,-0.00001227,-0.00000294,0.49389187,- 0.00001194,0.00002255,-0.00001523,0.00001978,0.00004797,0.00002717,0.0 0000363,0.00003072,0.00001791,0.00002576,0.00002083,0.00002262,-0.0000 0490,-0.00002646,-0.00000263,-0.00000266,-0.00000244,-0.00000138,-0.00 000160,-0.00000190,-0.00000084,0.00001052,0.00000098,-0.00000204,0.000 00460,-0.00000146,0.00000047,-0.00001747,-0.00003987,-0.00002637,-0.00 000467,-0.00003619,-0.00002396,-0.00000129,-0.00003710,-0.00003208,-0. 00000025,0.00001509,0.00000948,-0.00002482,-0.00002177,-0.00002575,0.0 0000736,0.00000978,0.00000810,0.00025116,0.00004413,0.00001914,-0.0001 2776,0.00001744,0.00004717,-0.00023450,-0.00011736,0.00001159,0.000059 43,0.00002184,-0.00000712,-0.00000754,-0.00000256,-0.00000185,-0.00000 557,-0.00000569,-0.00000267,-0.00000452,0.00000085,0.00000157,-0.00007 660,-0.00001323,-0.00001836,0.00265631,-0.00035578,-0.00117925,-0.0001 4529,-0.00003538,-0.00029709,0.00000544,-0.00004660,0.00015026,0.00003 162,0.00003229,0.00001181,0.00001474,-0.00008622,0.00004144,-0.0000645 0,-0.00009600,0.00011446,-0.00006989,-0.00001785,-0.00001311,0.0000045 3,0.00000146,-0.00000085,-0.00050185,0.00104090,0.00027895,0.00022739, 0.00034997,-0.00076951,-0.01916758,-0.03066146,-0.01736947,-0.00028100 ,-0.00049950,0.00038902,-0.00024227,0.00058282,-0.00018393,-0.00000532 ,-0.00015167,-0.00002009,0.00002096,0.00003306,-0.00002203,-0.00012709 ,0.00016953,0.00022516,0.00004478,-0.00017374,-0.00014001,0.00000557,- 0.00006655,-0.00017191,-0.00001311,0.00005702,0.00004134,-0.00000102,0 .00000796,-0.00000035,0.00000058,-0.00001546,-0.00000020,0.00002494,-0 .00001846,-0.00000839,0.01795343,0.49942665,-0.00005259,0.00006926,-0. 00001192,-0.00019386,-0.00007136,0.00016577,-0.00001530,-0.00002385,-0 .00001840,-0.00005478,0.00000264,-0.00000032,0.00003291,-0.00000425,0. 00000621,0.00002201,0.00000635,0.00000047,-0.00000800,0.00000378,-0.00 000981,-0.00000410,-0.00000565,0.00000442,-0.00000093,-0.00000250,-0.0 0000903,0.00010831,-0.00007514,-0.00008968,0.00029586,0.00008310,-0.00 010344,0.00003201,0.00002831,0.00000758,-0.00000976,-0.00001643,-0.000 00761,0.00005618,-0.00000412,0.00001420,-0.00001499,0.00000115,-0.0000 0423,-0.00007103,0.00004923,0.00009870,0.00006374,-0.00003240,-0.00005 847,0.00003377,-0.00001715,-0.00005573,-0.00003576,-0.00000817,0.00000 969,0.00000161,0.00000449,0.00000198,0.00000087,0.00000010,0.00000678, 0.00000277,-0.00000232,-0.00000348,-0.00038161,-0.00030376,-0.00051733 ,-0.00346977,0.00099525,0.00393527,0.00045798,-0.00024683,0.00010594,- 0.00010923,0.00031947,0.00008740,-0.00019299,0.00003282,0.00007393,-0. 00001147,0.00001208,-0.00001483,0.00005418,0.00015615,-0.00011791,0.00 013898,-0.00000535,-0.00003796,0.00003425,0.00002494,-0.00003234,-0.00 024117,-0.00056136,-0.00032219,0.00108617,-0.00010524,-0.00018305,0.00 475559,0.00868905,0.01116516,0.00025653,0.00041861,-0.00033705,0.00011 573,-0.00063667,0.00009571,0.00011039,-0.00006458,-0.00022071,-0.00005 900,0.00000832,0.00004679,-0.00020645,0.00006203,-0.00019293,0.0001694 2,-0.00007930,0.00006233,0.00011754,-0.00003188,0.00015494,-0.00009041 ,0.00008465,-0.00004489,-0.00000552,-0.00000814,-0.00000920,0.00002234 ,0.00000159,0.00000986,-0.00000960,-0.00001214,0.00000623,-0.03591717, 0.00113576,0.49563194,-0.00014810,0.00019478,-0.00000494,-0.00041471,- 0.00019012,0.00023803,-0.00004311,-0.00008920,-0.00007195,-0.00015774, -0.00001649,-0.00006335,0.00008016,0.00002247,0.00003387,0.00004411,0. 00001228,0.00000602,-0.00001198,0.00001908,-0.00000753,-0.00001878,-0. 00001226,0.00000793,-0.00000640,-0.00001032,-0.00002006,0.00031799,-0. 00016521,-0.00009812,0.00061747,0.00014440,-0.00007759,0.00006980,0.00 009091,0.00008323,-0.00001878,-0.00004163,-0.00003730,0.00017216,0.000 00621,0.00008808,-0.00005039,-0.00000599,-0.00002489,-0.00062765,0.000 05418,0.00012529,0.00037623,-0.00012612,-0.00019524,0.00051724,0.00008 561,-0.00004493,-0.00018373,-0.00003790,0.00001947,0.00001967,0.000013 14,0.00001427,0.00001214,0.00000610,0.00001226,0.00001133,0.00000148,- 0.00001153,-0.00062477,-0.00069260,-0.00073143,-0.00337051,0.00004523, 0.00026026,0.00002996,-0.00068286,-0.00015231,-0.00017965,0.00001939,0 .00008774,-0.00032234,0.00009775,0.00000293,0.00003286,0.00007647,0.00 003396,-0.00000448,-0.00005142,0.00008982,0.00013987,0.00005334,-0.000 01971,0.00006395,0.00003323,-0.00001835,-0.00012245,-0.00006950,0.0001 1449,0.00197705,0.00012427,0.00088291,0.00217990,0.00139538,0.00120602 ,0.00009589,0.00075095,0.00029050,0.00006450,-0.00054997,-0.00021679,0 .00032593,0.00010786,-0.00009407,-0.00022188,0.00003170,0.00006174,-0. 00035216,0.00021141,-0.00051260,0.00028827,-0.00019173,0.00027222,0.00 024896,-0.00009239,0.00046354,-0.00018690,0.00022667,-0.00017414,0.000 00263,-0.00001081,0.00001312,0.00003792,-0.00000725,0.00002434,-0.0000 0770,-0.00001120,-0.00000838,-0.04516708,0.02802410,0.00094312,0.51419 769,-0.00006800,0.00009082,-0.00001725,-0.00011826,0.00000682,0.000109 76,-0.00001174,0.00000819,0.00000339,-0.00002301,0.00002125,-0.0000003 5,0.00002203,-0.00002212,0.00000979,0.00001105,0.00000061,-0.00000028, -0.00000515,0.00000453,-0.00000264,0.00000506,-0.00000331,-0.00000052, 0.00000209,-0.00000718,-0.00000349,0.00008944,-0.00010763,-0.00006408, 0.00020398,-0.00002336,-0.00004750,0.00002318,-0.00002307,-0.00001337, -0.00000725,0.00000833,-0.00000114,0.00003193,-0.00002720,0.00000194,- 0.00001038,0.00001097,0.00000117,0.00001947,0.00006898,0.00007623,0.00 000916,-0.00003327,-0.00002909,-0.00003881,-0.00007382,-0.00002869,-0. 00000331,0.00001001,0.00000208,-0.00000030,0.00000300,0.00000283,-0.00 000095,-0.00000390,0.00000181,0.00000075,0.00000175,-0.00000246,-0.000 01336,0.00005150,0.00006598,-0.00043341,0.00021064,0.00031872,-0.00011 468,0.00026984,0.00006091,-0.00009541,0.00008525,0.00011771,-0.0001214 6,0.00004117,-0.00002166,-0.00004108,-0.00002544,-0.00002706,-0.000025 27,-0.00001923,0.00003356,-0.00000448,-0.00001463,-0.00000749,-0.00001 481,-0.00001416,-0.00000859,0.00027688,0.00007681,-0.00012254,0.000259 83,-0.00027240,-0.00000313,0.00042081,-0.00137447,-0.00105243,0.000195 38,-0.00027109,-0.00015028,-0.00021095,0.00003599,-0.00001337,0.000129 28,-0.00015496,-0.00009937,-0.00005145,0.00002738,0.00000550,-0.000128 69,0.00033241,0.00005586,0.00007994,-0.00027609,-0.00003919,0.00005892 ,-0.00011640,-0.00004183,-0.00004042,0.00008925,-0.00002557,0.00000762 ,0.00000564,0.00001434,0.00000228,-0.00001176,0.00000853,0.00001680,-0 .00001681,-0.00001028,0.02797790,-0.01495210,-0.01433797,-0.07524540,0 .55203522,0.00000461,-0.00000526,-0.00001912,0.00000009,0.00004681,0.0 0008146,0.00000130,0.00004320,0.00004350,0.00003290,0.00002367,0.00004 107,-0.00000486,-0.00002992,-0.00000950,0.00000236,-0.00000126,-0.0000 0628,-0.00000248,-0.00000485,-0.00000646,0.00001017,-0.00000061,-0.000 00046,0.00000420,0.00000154,0.00000344,-0.00003735,-0.00002874,-0.0000 6574,0.00001940,-0.00002982,-0.00008306,0.00000543,-0.00004692,-0.0000 6832,-0.00000573,0.00001549,0.00002172,-0.00003491,-0.00002474,-0.0000 4383,0.00000999,0.00001168,0.00001306,0.00028853,0.00005963,0.00007645 ,-0.00014131,0.00001780,0.00003236,-0.00027346,-0.00010539,-0.00004902 ,0.00006821,0.00001807,0.00000143,-0.00000929,-0.00000058,-0.00000521, -0.00000632,-0.00000559,0.00000161,-0.00000226,-0.00000267,0.00000192, 0.00012599,0.00022801,0.00027896,0.00002140,0.00018806,0.00067128,0.00 002944,0.00038428,0.00044399,-0.00005058,0.00012728,0.00008949,-0.0000 5178,-0.00001113,0.00002476,-0.00005703,-0.00005485,-0.00004291,0.0000 0932,0.00003509,-0.00011298,-0.00001089,-0.00002651,-0.00001112,-0.000 03094,-0.00002200,-0.00001116,0.00037786,0.00008023,-0.00027955,-0.000 14799,-0.00029152,-0.00039212,0.00110710,-0.00108440,-0.00222233,0.000 20296,-0.00043105,-0.00054797,-0.00040418,-0.00000004,0.00036724,0.000 01935,-0.00018006,-0.00018120,0.00004818,0.00000120,0.00001870,-0.0000 0797,0.00021079,0.00028695,-0.00000944,-0.00016189,-0.00017435,-0.0000 1592,-0.00006100,-0.00024084,0.00001654,-0.00002174,0.00007032,0.00000 041,0.00000502,-0.00000465,-0.00000525,-0.00000122,-0.00000287,0.00001 104,-0.00001496,0.00000029,-0.00735835,-0.00252245,0.01841820,0.062455 91,-0.06670449,0.55019847,-0.00010359,0.00013724,-0.00000996,-0.000261 35,-0.00008745,0.00016745,-0.00002432,-0.00004451,-0.00004270,-0.00008 250,0.00000427,-0.00002872,0.00004812,-0.00000388,0.00001937,0.0000257 2,0.00000648,0.00000458,-0.00000800,0.00000984,-0.00000567,-0.00000575 ,-0.00000696,0.00000420,-0.00000434,-0.00001023,-0.00001207,0.00019417 ,-0.00012945,-0.00007873,0.00041029,0.00004377,-0.00005103,0.00004146, 0.00003796,0.00004374,-0.00000912,-0.00001856,-0.00002222,0.00009283,- 0.00000706,0.00004270,-0.00002682,0.00000055,-0.00001124,-0.00023096,0 .00005531,0.00009193,0.00015133,-0.00006337,-0.00009275,0.00017528,-0. 00001004,-0.00003361,-0.00007556,-0.00001148,0.00000896,0.00000711,0.0 0000641,0.00000672,0.00000382,0.00000084,0.00000634,0.00000466,0.00000 064,-0.00000577,-0.00028927,-0.00033130,-0.00032705,-0.00210726,0.0006 4951,0.00042933,0.00004038,-0.00010419,0.00010404,-0.00019155,0.000119 18,0.00009738,-0.00023850,0.00007847,-0.00003041,0.00000007,0.00004522 ,-0.00002925,-0.00001039,-0.00001373,0.00003397,0.00008437,0.00000998, -0.00001257,0.00001539,0.00000480,-0.00002036,0.00025853,-0.00001467,- 0.00015055,0.00114484,-0.00027437,0.00046312,0.00210442,0.00100243,-0. 00139376,0.00026550,0.00008733,-0.00005167,-0.00047468,-0.00035627,-0. 00008095,0.00026062,-0.00007769,-0.00013366,-0.00013181,0.00002745,0.0 0002927,-0.00023014,0.00022464,-0.00026229,0.00017064,-0.00018625,0.00 010962,0.00014276,-0.00008384,0.00023159,-0.00009537,0.00012478,-0.000 08016,0.00000101,-0.00000738,0.00000522,0.00001934,-0.00000597,0.00001 081,0.00000164,-0.00001315,-0.00000201,0.00429580,-0.00105645,0.004842 01,-0.09206251,-0.00433623,-0.04090795,0.49720424,-0.00002136,0.000030 30,-0.00000635,-0.00000141,0.00004333,0.00000323,-0.00000037,0.0000137 1,0.00000694,0.00001613,0.00001742,0.00000222,0.00000036,-0.00001821,0 .00000203,-0.00000292,-0.00000235,0.00000065,0.00000094,-0.00000029,0. 00000187,0.00000607,-0.00000002,-0.00000153,-0.00000126,-0.00000655,0. 00000258,0.00001093,-0.00003927,-0.00000735,0.00001593,-0.00008350,0.0 0003679,-0.00000152,-0.00003031,-0.00000801,0.00000268,0.00001390,0.00 000091,-0.00001052,-0.00001621,-0.00000786,0.00000192,0.00000607,0.000 00398,0.00010285,0.00002237,0.00000995,-0.00005278,0.00000416,0.000016 46,-0.00009355,-0.00005474,0.00000138,0.00002585,0.00001131,-0.0000023 6,-0.00000302,-0.00000098,-0.00000085,-0.00000224,-0.00000271,-0.00000 136,-0.00000140,0.00000062,0.00000067,0.00015270,0.00002899,0.00005224 ,-0.00001776,-0.00047252,0.00030364,-0.00034741,0.00057343,0.00030685, -0.00011312,-0.00003352,0.00005136,-0.00001167,0.00008770,-0.00005230, 0.00002067,0.00007490,-0.00004571,-0.00002645,-0.00006510,0.00004694,- 0.00004447,-0.00001829,0.00001733,-0.00003547,-0.00002011,-0.00000615, 0.00004325,0.00007843,-0.00005679,0.00012792,-0.00044282,0.00009575,0. 00051113,-0.00168129,-0.00009004,0.00024947,-0.00052539,-0.00013236,-0 .00078440,0.00008932,-0.00006797,0.00010457,-0.00014458,-0.00004197,-0 .00001250,0.00000603,-0.00001850,0.00003221,0.00010372,0.00001148,-0.0 0003451,-0.00006698,-0.00003106,-0.00003729,-0.00003884,-0.00001292,0. 00003770,-0.00001215,0.00001243,0.00000590,-0.00000026,0.00000655,-0.0 0000957,-0.00000447,-0.00000133,0.00000782,-0.00000288,0.00000039,0.00 044705,-0.00243228,-0.00097262,-0.00961726,-0.09793331,-0.02175857,0.0 5256174,0.58162068,0.00005260,-0.00007057,0.00000518,0.00011048,0.0000 2490,-0.00006720,0.00001207,0.00001489,0.00001337,0.00003446,-0.000005 51,0.00001694,-0.00002140,0.00000455,-0.00001117,-0.00001029,-0.000001 63,-0.00000136,0.00000293,-0.00000571,0.00000034,0.00000139,0.00000324 ,-0.00000071,0.00000223,0.00000586,0.00000386,-0.00009001,0.00006769,0 .00003002,-0.00018842,0.00001494,0.00001222,-0.00001968,-0.00000748,-0 .00001573,0.00000496,0.00000422,0.00000934,-0.00004180,0.00000758,-0.0 0002030,0.00001304,-0.00000164,0.00000513,0.00010059,-0.00002424,-0.00 003177,-0.00006584,0.00002813,0.00003785,-0.00007691,0.00001114,0.0000 0295,0.00003389,0.00000328,-0.00000252,-0.00000326,-0.00000246,-0.0000 0355,-0.00000171,-0.00000022,-0.00000211,-0.00000147,-0.00000083,0.000 00261,-0.00003647,-0.00005240,-0.00019287,0.00057929,0.00001049,0.0003 6626,0.00026530,-0.00031676,-0.00023857,0.00011791,0.00002837,-0.00003 806,0.00012213,-0.00002107,0.00006764,0.00005342,0.00000203,0.00003976 ,0.00002033,0.00007830,-0.00003536,0.00001035,-0.00000021,-0.00000727, 0.00002538,0.00002525,-0.00000113,-0.00010401,-0.00001628,0.00004799,- 0.00004801,0.00055343,-0.00029029,-0.00151480,0.00110957,0.00032803,-0 .00023556,0.00022168,0.00016932,0.00052816,0.00009582,-0.00007333,-0.0 0015583,0.00008145,0.00003730,0.00006373,-0.00000743,0.00000157,0.0000 6816,-0.00022022,0.00001940,-0.00003399,0.00016798,-0.00001261,-0.0000 4997,0.00006922,-0.00001597,0.00002159,-0.00003839,0.00003054,-0.00000 430,-0.00000161,-0.00001009,-0.00000030,0.00000323,-0.00000349,-0.0000 0696,0.00000688,0.00000405,0.00134393,0.00017145,0.00331831,-0.0501013 1,-0.03002163,-0.14027267,-0.01692039,-0.01723328,0.51641866,-0.000041 30,0.00005182,-0.00001110,-0.00015592,-0.00007466,0.00015303,-0.000015 50,-0.00000785,0.00000072,-0.00005403,-0.00000314,-0.00000156,0.000027 04,0.00000328,0.00000726,0.00002134,0.00000492,-0.00000294,-0.00000761 ,0.00000613,-0.00000761,-0.00000440,-0.00000498,0.00000225,0.00000403, 0.00000605,-0.00000660,0.00008906,-0.00005943,-0.00007979,0.00025613,0 .00010346,-0.00014602,0.00003459,0.00002020,-0.00001319,-0.00001514,-0 .00001353,-0.00000010,0.00005466,-0.00000561,0.00001190,-0.00001566,0. 00000263,-0.00000425,-0.00013873,0.00004401,0.00008636,0.00009662,-0.0 0004306,-0.00006596,0.00009851,0.00000615,-0.00004492,-0.00004801,-0.0 0000993,0.00000897,0.00000425,0.00000548,0.00000357,0.00000252,0.00000 044,0.00000627,0.00000364,-0.00000094,-0.00000399,-0.00027638,0.000037 07,0.00025454,-0.00034414,-0.00230980,0.00121416,-0.00050632,0.0002449 8,0.00054130,-0.00001082,-0.00015269,0.00008538,-0.00015801,-0.0001034 9,0.00005348,-0.00010526,-0.00015963,-0.00006545,0.00002721,-0.0000060 6,-0.00008296,-0.00002682,0.00002071,-0.00002058,0.00001077,-0.0000070 9,-0.00000745,0.00016070,-0.00003789,-0.00009742,0.00030070,-0.0001684 7,-0.00017439,-0.02214972,-0.00911048,0.01618878,0.00021576,0.00031531 ,-0.00047981,0.00022252,-0.00046024,0.00038339,0.00007705,0.00002053,- 0.00012635,-0.00003472,-0.00000289,0.00004047,-0.00020913,0.00030331,0 .00008675,0.00012596,-0.00026756,-0.00001991,0.00013092,-0.00009047,-0 .00006432,-0.00009820,0.00009893,-0.00003793,-0.00000047,0.00000815,0. 00000553,0.00001473,-0.00000425,0.00001004,0.00000869,-0.00001648,-0.0 0001127,0.01862631,-0.00222464,-0.00581522,-0.00369641,-0.00327890,-0. 01564060,-0.10929142,0.03222757,-0.01548904,0.50855282,0.00003316,-0.0 0004723,-0.00000733,0.00005742,0.00001558,0.00002607,0.00000485,0.0000 4197,0.00004398,0.00001335,-0.00000001,0.00002008,-0.00001180,0.000000 21,-0.00000632,-0.00000100,-0.00000171,-0.00000736,-0.00000184,-0.0000 0118,-0.00000201,0.00000260,0.00000061,-0.00000309,0.00001200,0.000017 58,0.00000613,-0.00006993,0.00002504,-0.00002122,-0.00007522,0.0000275 8,-0.00011537,0.00000396,-0.00002867,-0.00005644,-0.00000875,0.0000085 6,0.00001734,-0.00001961,-0.00000876,-0.00002407,0.00000503,0.00000613 ,0.00000555,0.00009229,0.00000893,0.00000890,-0.00004724,0.00000916,0. 00001950,-0.00008358,-0.00000887,-0.00000912,0.00002190,0.00000553,-0. 00000080,-0.00000270,-0.00000057,-0.00000126,-0.00000154,-0.00000156,- 0.00000028,-0.00000158,-0.00000045,0.00000069,0.00012412,0.00056436,0. 00054647,0.00102462,-0.00831604,0.00241760,-0.00216366,0.00168295,0.00 118368,0.00008748,-0.00077346,0.00013059,0.00009747,-0.00006788,0.0001 4320,-0.00018189,-0.00018945,-0.00003084,-0.00000386,-0.00011453,-0.00 005481,-0.00033656,0.00000096,0.00001659,-0.00002532,-0.00001834,-0.00 000730,0.00004981,-0.00003034,0.00001537,-0.00049679,0.00094739,-0.001 30613,-0.03803217,-0.00399807,0.02422790,0.00044847,-0.00032844,-0.000 80457,-0.00021065,-0.00010434,0.00050919,-0.00004061,0.00001194,-0.000 05124,0.00008239,-0.00004514,-0.00001088,-0.00002857,0.00013830,0.0002 9086,0.00001350,-0.00016207,-0.00011760,0.00000077,-0.00004542,-0.0002 9010,-0.00002389,0.00001938,0.00000572,0.00000281,0.00001572,0.0000072 9,-0.00000287,-0.00000314,0.00000584,0.00001005,-0.00000875,-0.0000101 5,0.00744167,-0.00548132,-0.01324418,-0.01440462,0.01730765,-0.0031813 5,0.02479870,-0.11785974,0.02087106,0.07676260,0.59886739,0.00001434,- 0.00001870,-0.00002115,0.00001223,0.00004182,0.00009664,-0.00000121,0. 00005671,0.00006829,0.00002201,0.00001734,0.00004310,-0.00000436,-0.00 002270,-0.00000857,0.00000524,-0.00000144,-0.00001214,-0.00000328,-0.0 0000207,-0.00000611,0.00000840,-0.00000163,-0.00000182,0.00000894,0.00 000948,0.00000422,-0.00005432,-0.00002013,-0.00007251,0.00003156,-0.00 000231,-0.00015703,0.00001623,-0.00004974,-0.00009769,-0.00001657,0.00 001324,0.00003098,-0.00002555,-0.00002586,-0.00004571,0.00000594,0.000 01305,0.00001167,0.00024839,0.00005866,0.00007461,-0.00011556,0.000011 89,0.00002507,-0.00024252,-0.00009104,-0.00003747,0.00005150,0.0000149 2,0.00000207,-0.00000795,0.00000002,-0.00000339,-0.00000516,-0.0000050 0,0.00000212,-0.00000277,-0.00000238,0.00000064,0.00045062,0.00087440, 0.00140661,0.00022741,0.00087051,-0.00133529,-0.00015783,0.00062693,0. 00044483,0.00004228,0.00000948,0.00005996,-0.00008849,-0.00022313,-0.0 0003880,-0.00027421,-0.00027755,-0.00009577,0.00000227,-0.00007181,-0. 00014853,-0.00009987,-0.00002552,-0.00000885,-0.00008368,-0.00007984,0 .00002662,0.00031574,0.00006800,-0.00026934,-0.00177566,-0.00096605,-0 .00052629,0.01720485,0.00413990,-0.01406154,0.00014171,-0.00052924,-0. 00091754,0.00002853,0.00016714,0.00092572,-0.00005764,-0.00016849,-0.0 0010058,0.00007259,-0.00001685,0.00001052,0.00000876,0.00046917,0.0006 9878,-0.00006479,-0.00037176,-0.00031573,0.00000114,-0.00010958,-0.000 59425,0.00000805,-0.00005215,0.00010698,-0.00000488,0.00002308,-0.0000 0161,-0.00001293,0.00000545,-0.00000972,0.00002046,-0.00001995,-0.0000 1278,0.01094163,-0.01836602,-0.02783494,-0.02105577,0.00965544,-0.0176 2257,-0.03119973,0.03664144,-0.09174515,-0.03180720,-0.03860984,0.5032 7012,-0.00024279,0.00031732,-0.00004523,-0.00065955,-0.00023880,0.0005 4976,-0.00005434,-0.00005191,-0.00007327,-0.00017153,0.00002768,-0.000 02041,0.00010898,-0.00003533,0.00003506,0.00007110,0.00001555,0.000008 15,-0.00002809,0.00001993,-0.00002490,-0.00000312,-0.00001647,0.000009 59,0.00000289,-0.00000219,-0.00003225,0.00043758,-0.00033395,-0.000286 62,0.00107052,0.00021245,-0.00031004,0.00010553,0.00005721,0.00003823, -0.00002626,-0.00003265,-0.00003207,0.00018622,-0.00003957,0.00005424, -0.00005133,0.00001349,-0.00001244,-0.00026332,0.00020240,0.00031316,0 .00021849,-0.00014060,-0.00019290,0.00014452,-0.00013175,-0.00014882,- 0.00010643,-0.00000864,0.00002213,0.00000772,0.00001565,0.00001057,0.0 0000263,-0.00000464,0.00001720,0.00000968,-0.00000086,-0.00001189,-0.0 0163417,-0.00180428,-0.00124979,-0.03125154,-0.03035887,0.01175142,-0. 00328837,0.00147375,0.00278649,-0.00026035,-0.00082485,0.00087454,-0.0 0048882,0.00010232,0.00015617,-0.00001935,-0.00002515,-0.00011370,-0.0 0005713,-0.00041058,0.00014828,-0.00013908,0.00009627,-0.00008968,0.00 009606,0.00006432,-0.00009025,0.00275329,0.00070588,-0.00134841,0.0052 4082,-0.00254295,0.00215744,-0.08715616,-0.00565712,0.00988022,0.00159 960,0.00186075,-0.00060477,-0.00014969,-0.00236040,-0.00055929,0.00069 808,-0.00012583,-0.00058630,-0.00024065,0.00011088,0.00013399,-0.00077 816,0.00113313,-0.00060388,0.00059710,-0.00081173,0.00020775,0.0004904 5,-0.00040563,0.00067565,-0.00029343,0.00044509,-0.00021418,0.00002557 ,-0.00002094,0.00003166,0.00005772,-0.00004047,0.00005277,0.00003120,- 0.00006684,-0.00000668,-0.09589591,-0.01039129,-0.02008458,0.00044705, -0.00174412,-0.00372903,-0.02011885,0.00788222,0.01723510,-0.13590985, 0.03746511,0.04282819,0.55668403,-0.00044571,0.00059794,-0.00005630,-0 .00093582,-0.00024281,0.00064836,-0.00009266,-0.00011272,-0.00014019,- 0.00020267,0.00008061,-0.00008670,0.00016317,-0.00008405,0.00007499,0. 00009123,0.00001246,0.00002199,-0.00002665,0.00003910,-0.00001131,0.00 000684,-0.00002261,0.00000935,-0.00002544,-0.00006561,-0.00004063,0.00 075783,-0.00058295,-0.00032833,0.00156626,0.00004861,-0.00012743,0.000 13726,0.00004973,0.00011805,-0.00002004,-0.00002032,-0.00006239,0.0002 6114,-0.00008112,0.00011128,-0.00007762,0.00001935,-0.00002047,-0.0004 1186,0.00026534,0.00035162,0.00031820,-0.00019901,-0.00025671,0.000264 35,-0.00023976,-0.00011579,-0.00015099,-0.00000206,0.00001978,0.000013 86,0.00001998,0.00001700,0.00000453,-0.00000670,0.00001908,0.00001261, 0.00000252,-0.00001569,-0.00083335,-0.00237588,-0.00182361,-0.02753805 ,0.00888177,0.00319810,0.00311758,-0.00203988,-0.00146298,-0.00064499, 0.00138518,0.00030370,-0.00102690,0.00026234,-0.00018494,-0.00028880,0 .00032155,-0.00010822,0.00011857,0.00004519,0.00006682,0.00077533,0.00 009747,-0.00009847,0.00009339,0.00001824,-0.00005991,0.00434864,0.0008 1822,-0.00212949,0.00981193,-0.00467414,0.00608047,-0.02793526,-0.1664 2848,0.02502807,0.00026739,0.00197732,0.00042259,0.00017663,-0.0015385 0,-0.00000673,0.00110124,-0.00035089,-0.00051079,-0.00052957,0.0002766 2,0.00016894,-0.00068144,0.00273107,-0.00083079,0.00040501,-0.00169367 ,0.00028372,0.00055956,-0.00087021,0.00097604,-0.00014029,0.00047435,- 0.00029353,0.00009981,-0.00001941,0.00013713,0.00000050,-0.00008214,0. 00007293,0.00009472,-0.00008921,-0.00002415,-0.01726449,-0.09068485,-0 .03690758,-0.00385231,0.00330590,0.00418961,0.01529239,-0.00111117,-0. 01431835,0.02317404,-0.08298111,-0.00372314,-0.08884232,0.49429335,0.0 0008875,-0.00011976,0.00000018,0.00014504,0.00004969,-0.00005150,0.000 01784,0.00002711,0.00003418,0.00003533,-0.00001034,0.00004191,-0.00002 772,0.00000783,-0.00002019,-0.00001164,0.00000041,-0.00000650,0.000000 41,-0.00001091,-0.00000566,0.00000024,0.00000309,0.00000017,0.00000733 ,0.00001099,0.00000315,-0.00016031,0.00009563,0.00001266,-0.00023286,0 .00004858,-0.00004709,-0.00001977,-0.00000987,-0.00004586,-0.00000092, 0.00000079,0.00001904,-0.00005101,0.00001008,-0.00003851,0.00001694,0. 00000005,0.00000807,0.00020027,-0.00001452,-0.00000825,-0.00011445,0.0 0004144,0.00005322,-0.00017614,0.00000200,-0.00001845,0.00005176,0.000 00558,-0.00000074,-0.00000690,-0.00000333,-0.00000513,-0.00000375,-0.0 0000115,-0.00000138,-0.00000317,-0.00000227,0.00000305,-0.00022567,0.0 0049335,-0.00000528,0.01444446,0.01514302,-0.01038463,0.00279166,-0.00 243728,-0.00076900,0.00028497,0.00071925,0.00003456,0.00016580,-0.0001 1994,0.00003306,0.00011581,-0.00022184,0.00012966,-0.00021361,-0.00004 655,0.00004314,0.00011203,-0.00002365,-0.00006834,0.00003016,0.0000263 5,0.00001386,-0.00041414,0.00121934,0.00059093,-0.00304111,0.00129898, -0.00059677,0.01876619,0.01644816,-0.07047477,-0.00148494,-0.00120594, 0.00102469,-0.00031556,0.00162461,-0.00019486,-0.00047480,0.00003022,0 .00004851,0.00012987,-0.00004639,-0.00001470,-0.00000051,-0.00069279,0 .00024302,0.00002857,0.00041153,-0.00010417,-0.00006074,0.00021153,-0. 00022414,-0.00003273,-0.00004557,0.00007196,-0.00003329,0.00000133,-0. 00004843,0.00001842,0.00001882,-0.00001277,-0.00002764,0.00000995,0.00 000712,-0.02166296,-0.02615614,-0.12394168,-0.00040926,0.00094099,0.00 276277,-0.00215802,-0.00178218,0.01517202,0.03110829,-0.01527521,-0.10 471351,0.05091360,-0.03372542,0.47226877,0.00001857,-0.00002408,0.0000 0189,0.00002908,0.00000459,-0.00001870,0.00000332,0.00000247,0.0000050 8,0.00000413,-0.00000459,0.00000471,-0.00000453,0.00000400,-0.00000380 ,-0.00000261,0.00000021,-0.00000126,0.00000087,-0.00000200,-0.00000058 ,-0.00000129,0.00000016,0.00000052,0.00000106,0.00000317,0.00000095,-0 .00002850,0.00002363,0.00000927,-0.00005300,0.00000617,-0.00000086,-0. 00000384,0.00000170,-0.00000482,-0.00000011,-0.00000140,0.00000240,-0. 00000736,0.00000478,-0.00000415,0.00000234,-0.00000128,0.00000037,0.00 001938,-0.00000901,-0.00000847,-0.00001204,0.00000827,0.00000789,-0.00 001548,0.00000849,0.00000241,0.00000348,-0.00000093,0.00000037,-0.0000 0076,-0.00000081,-0.00000072,-0.00000007,0.00000032,-0.00000028,-0.000 00062,-0.00000058,0.00000021,0.00003389,0.00005693,0.00005408,0.000923 21,-0.00004593,-0.00015889,-0.00005022,0.00003724,-0.00005030,0.000038 46,-0.00005126,0.00000135,0.00003605,-0.00001590,0.00000880,0.00000011 ,-0.00001712,0.00000744,-0.00000370,-0.00000477,0.00000616,-0.00002827 ,0.00000046,-0.00000010,-0.00000085,0.00000036,0.00000231,0.00007941,0 .00004191,-0.00000165,-0.00023129,0.00014987,-0.00017829,-0.00100895,- 0.00153986,-0.00243031,-0.00005732,-0.00008426,0.00003724,-0.00001099, 0.00011102,-0.00000700,-0.00004391,0.00001660,0.00001707,0.00002081,-0 .00000847,-0.00000358,0.00003541,-0.00013637,0.00002939,-0.00001236,0. 00009804,-0.00001095,-0.00001897,0.00004602,-0.00003130,0.00000308,-0. 00003127,0.00001704,-0.00000783,-0.00000157,-0.00001240,0.00000208,0.0 0000820,-0.00000485,-0.00000982,0.00000486,0.00000457,-0.11882458,-0.1 0414129,0.06022872,0.00358511,0.00194748,-0.00108126,-0.00021803,0.000 08435,-0.00006420,0.00091091,0.00032434,0.00057447,-0.00718475,-0.0123 1006,0.00658017,0.12974559,0.00002225,-0.00003101,0.00000595,0.0000399 7,-0.00000080,-0.00003760,0.00000294,-0.00000071,0.00000322,0.00000260 ,-0.00000890,-0.00000237,-0.00000621,0.00001087,-0.00000212,-0.0000035 0,-0.00000018,-0.00000074,0.00000164,-0.00000070,0.00000132,-0.0000024 7,0.00000096,-0.00000029,0.00000063,0.00000376,0.00000177,-0.00002850, 0.00003455,0.00002257,-0.00007579,0.00000960,0.00001073,-0.00000549,0. 00000525,0.00000126,0.00000061,-0.00000186,0.00000094,-0.00000518,0.00 000792,0.00000148,0.00000144,-0.00000273,-0.00000104,-0.00005547,-0.00 002197,-0.00002131,0.00002334,0.00000148,-0.00000176,0.00005668,0.0000 4058,0.00000401,-0.00000899,-0.00000511,0.00000014,0.00000166,-0.00000 007,0.00000009,0.00000130,0.00000176,-0.00000040,0.00000069,0.00000017 ,0.00000038,0.00003612,0.00006832,0.00005872,0.00154678,-0.00048355,-0 .00091281,-0.00008486,0.00000939,0.00008315,0.00005842,-0.00010198,-0. 00005111,0.00004908,-0.00001786,0.00001216,0.00001805,-0.00000157,0.00 002332,-0.00000463,-0.00000589,-0.00000644,-0.00003417,0.00000988,0.00 000752,0.00000061,0.00000097,0.00000490,-0.00012427,-0.00008541,0.0001 4583,-0.00042289,0.00022375,-0.00007231,-0.00279979,-0.00198181,-0.002 28790,-0.00008827,-0.00001825,0.00006995,0.00000317,0.00013941,0.00001 406,-0.00005367,0.00007716,0.00004583,0.00001811,-0.00001749,-0.000003 04,0.00005332,-0.00013412,0.00000676,-0.00002654,0.00009412,0.00001815 ,-0.00002131,0.00004498,-0.00001082,0.00000374,-0.00001966,0.00000138, -0.00000335,0.00000082,-0.00000270,-0.00000002,0.00000434,-0.00000192, -0.00000645,0.00000757,-0.00000077,-0.09112970,-0.17110952,0.06290534, -0.00556070,-0.00126341,0.00452744,0.00048134,-0.00005064,0.00008885,- 0.00030687,-0.00104437,0.00128177,-0.01163502,-0.01285285,0.00629127,0 .09994340,0.19939651,0.00002227,-0.00003049,0.00000337,0.00005622,0.00 001664,-0.00004181,0.00000486,0.00000777,0.00000888,0.00001311,-0.0000 0363,0.00000394,-0.00000951,0.00000391,-0.00000362,-0.00000567,-0.0000 0108,-0.00000120,0.00000182,-0.00000190,0.00000133,0.00000006,0.000001 41,-0.00000073,0.00000146,0.00000323,0.00000246,-0.00004001,0.00002984 ,0.00002143,-0.00009435,-0.00000919,0.00001517,-0.00000816,-0.00000564 ,-0.00000723,0.00000133,0.00000270,0.00000392,-0.00001561,0.00000314,- 0.00000631,0.00000436,-0.00000052,0.00000137,0.00001533,-0.00001337,-0 .00001998,-0.00001456,0.00000876,0.00001294,-0.00000646,0.00001304,0.0 0000684,0.00000795,0.00000081,-0.00000106,-0.00000044,-0.00000086,-0.0 0000074,-0.00000002,0.00000014,-0.00000128,-0.00000041,0.00000025,0.00 000078,0.00007382,0.00010544,0.00011597,0.00176828,-0.00044797,-0.0009 4568,-0.00017558,0.00007054,-0.00001534,0.00005530,-0.00011521,-0.0000 1872,0.00006543,-0.00001633,-0.00000097,0.00001492,-0.00001335,0.00002 140,-0.00001308,-0.00002811,0.00002506,-0.00005457,0.00000433,0.000007 31,-0.00000480,-0.00000333,0.00000665,-0.00008938,0.00001382,0.0000731 5,-0.00044531,0.00017302,-0.00015183,-0.00368185,-0.00530740,-0.003591 07,-0.00012476,-0.00014613,0.00012698,-0.00003999,0.00025246,-0.000028 81,-0.00005302,0.00003423,0.00004777,0.00002698,-0.00000965,-0.0000096 3,0.00005854,-0.00010085,0.00006703,-0.00003831,0.00007154,-0.00001953 ,-0.00003363,0.00003555,-0.00005905,0.00001516,-0.00002838,0.00001956, -0.00000297,0.00000194,-0.00000410,-0.00000258,0.00000355,-0.00000409, -0.00000316,0.00000506,-0.00000048,0.05446792,0.07195712,-0.09496331,0 .00320895,-0.00107442,-0.00117542,-0.00018639,-0.00028366,-0.00023423, -0.00013010,-0.00203790,-0.00038852,-0.01135024,-0.01614733,0.01149126 ,-0.05884004,-0.08147644,0.10997880,0.00000179,-0.00000255,0.00000051, -0.00000006,-0.00000498,0.00000145,0.00000007,-0.00000058,-0.00000082, 0.00000132,-0.00000057,0.00000046,-0.00000061,0.00000043,-0.00000044,0 .00000036,0.00000001,0.00000014,0.,0.00000006,-0.00000008,-0.00000004, 0.00000007,0.00000014,-0.00000025,0.00000034,-0.00000016,-0.00000082,0 .00000358,-0.00000058,0.00000338,0.00000405,-0.00000266,-0.00000048,0. 00000205,0.00000030,0.00000031,-0.00000080,0.00000034,-0.00000170,0.00 000105,-0.00000049,0.00000064,-0.00000058,0.00000014,0.00000199,-0.000 00200,-0.00000134,-0.00000158,0.00000147,0.00000095,-0.00000089,0.0000 0156,-0.00000042,0.00000087,-0.00000057,0.,-0.00000005,-0.00000005,-0. 00000028,-0.00000002,0.00000013,0.00000012,0.00000005,-0.00000024,0.00 000013,-0.00000216,-0.00000076,-0.00000250,-0.00028336,-0.00009614,-0. 00000144,-0.00002834,-0.00001437,0.00004021,-0.00000407,-0.00000703,0. 00000222,0.00000218,-0.00000179,0.00000585,-0.00000092,-0.00000221,-0. 00000957,0.00000411,-0.00000410,-0.00000988,0.00000578,0.00000122,-0.0 0000053,0.00000072,0.00000097,-0.00000022,0.00006028,-0.00000172,-0.00 003301,0.00007512,0.00000528,0.00004434,-0.00213482,0.00027358,0.00064 598,0.00001842,0.00009657,-0.00000481,-0.00010722,-0.00025634,-0.00002 351,0.00000272,0.00000828,-0.00000435,0.00000043,-0.00000146,0.0000027 0,0.00000210,0.00001748,-0.00000914,-0.00000158,-0.00000831,0.00000193 ,0.00000117,-0.00000368,0.00000653,0.00000193,-0.00000049,-0.00000142, 0.00000165,-0.00000029,0.00000147,-0.00000062,-0.00000074,0.00000072,0 .00000088,-0.00000038,0.00000018,-0.00037454,0.00003336,-0.00020049,-0 .00361465,-0.01230005,0.00273789,-0.07516899,-0.07378014,0.01579570,0. 00826355,0.02250105,-0.00801763,0.00122658,-0.00020398,-0.00007264,-0. 00010931,-0.00006665,-0.00009760,0.09547187,0.00003810,-0.00005088,0.0 0000536,0.00007839,0.00001539,-0.00005479,0.00000781,0.00000718,0.0000 0908,0.00001894,-0.00000699,0.00000779,-0.00001415,0.00000688,-0.00000 674,-0.00000732,-0.00000099,-0.00000139,0.00000242,-0.00000336,0.00000 095,-0.00000048,0.00000206,-0.00000049,0.00000122,0.00000458,0.0000027 7,-0.00006216,0.00005160,0.00002775,-0.00013098,0.00000633,0.00001127, -0.00001255,-0.00000093,-0.00000796,0.00000243,0.00000062,0.00000532,- 0.00002397,0.00000810,-0.00000967,0.00000733,-0.00000239,0.00000184,0. 00003885,-0.00002405,-0.00003050,-0.00002961,0.00001853,0.00002285,-0. 00002522,0.00002009,0.00000943,0.00001450,-0.00000024,-0.00000172,-0.0 0000133,-0.00000170,-0.00000180,-0.00000051,0.00000067,-0.00000148,-0. 00000100,-0.00000045,0.00000154,0.00005266,0.00010303,0.00009225,0.000 89971,0.00035510,-0.00030595,0.00013723,-0.00007690,-0.00012397,0.0000 8243,-0.00000936,-0.00004772,0.00007376,-0.00004078,0.00001571,0.00000 976,-0.00002842,0.00001505,0.00000510,0.00002679,-0.00002056,-0.000012 55,-0.00000021,0.00000056,0.00000306,0.00000324,0.00000609,-0.00013554 ,-0.00004036,0.00009129,-0.00056851,0.00025068,-0.00022174,-0.00102366 ,0.00136894,0.00002825,-0.00010130,0.00004175,0.00006221,0.00027482,0. 00015613,0.00000362,-0.00010463,0.00005542,0.00005009,0.00004221,-0.00 001227,-0.00000566,0.00006551,-0.00016074,0.00006336,-0.00004308,0.000 11832,-0.00002102,-0.00003844,0.00005717,-0.00006013,0.00001853,-0.000 04429,0.00002757,-0.00000578,0.00000081,-0.00000879,-0.00000161,0.0000 0591,-0.00000566,-0.00000623,0.00000670,0.00000237,0.00012499,-0.00024 895,0.00007307,-0.00469814,-0.01401144,0.00770914,-0.07424891,-0.25862 342,0.05266048,-0.00708873,-0.01885304,0.00270661,-0.00104917,-0.00167 466,0.00161920,-0.00005982,0.00026015,0.00012516,0.08478187,0.27406755 ,-0.00000572,0.00000766,-0.00000117,-0.00001128,-0.00000068,0.00000995 ,-0.00000152,0.00000056,0.00000069,-0.00000240,0.00000169,-0.00000162, 0.00000195,-0.00000132,0.00000132,0.00000119,-0.00000003,-0.00000005,- 0.00000028,0.00000060,0.00000003,0.00000024,-0.00000030,-0.00000022,-0 .00000010,-0.00000052,0.00000024,0.00000891,-0.00000867,-0.00000532,0. 00001980,-0.00000340,-0.00000714,0.00000257,-0.00000214,-0.00000081,-0 .00000063,0.00000085,-0.00000047,0.00000347,-0.00000208,0.00000125,-0. 00000119,0.00000067,-0.00000014,-0.00000550,0.00000345,0.00000449,0.00 000425,-0.00000272,-0.00000326,0.00000362,-0.00000249,-0.00000140,-0.0 0000184,0.00000017,0.00000015,0.00000021,0.00000030,0.00000024,0.00000 002,-0.00000009,0.00000026,0.00000016,0.00000005,-0.00000017,0.0000053 9,0.00000994,0.00001534,-0.00002930,-0.00019013,0.00002823,-0.00004314 ,0.00007549,0.00013061,-0.00001980,-0.00001422,-0.00000879,-0.00001785 ,0.00000927,0.00000532,-0.00001051,0.00000795,-0.00000837,0.00000669,- 0.00000474,-0.00002724,-0.00000485,-0.00000036,0.00000257,-0.00000462, -0.00000343,-0.00000208,0.00004065,-0.00000572,-0.00002589,0.00007156, -0.00005920,0.00003126,0.00072467,-0.00047164,0.00011959,0.00004216,-0 .00005486,-0.00011520,-0.00012039,-0.00000117,0.00016326,0.00002317,-0 .00001111,-0.00001456,-0.00000480,-0.00000119,0.00000024,-0.00000718,0 .00004120,-0.00001117,0.00000474,-0.00003032,0.00000287,0.00000442,-0. 00001562,0.00000526,-0.00000078,0.00000630,-0.00000703,0.00000226,0.00 000019,0.00000300,-0.00000078,-0.00000135,0.00000144,0.00000165,-0.000 00122,-0.00000051,-0.00022833,-0.00009947,-0.00015835,-0.00933943,-0.0 2447711,0.00941663,0.01688000,0.05427896,-0.06777885,0.00206990,0.0170 3318,-0.00328671,-0.00009944,0.00051081,-0.00092271,-0.00014309,0.0000 4194,-0.00007829,-0.02654381,-0.06140481,0.07543243,0.00003710,-0.0000 4938,0.00000479,0.00007651,0.00001876,-0.00005498,0.00000786,0.0000086 9,0.00001095,0.00001660,-0.00000711,0.00000808,-0.00001315,0.00000667, -0.00000674,-0.00000772,-0.00000082,-0.00000181,0.00000244,-0.00000365 ,0.00000067,-0.00000072,0.00000179,-0.00000037,0.00000195,0.00000574,0 .00000314,-0.00006197,0.00004884,0.00002806,-0.00013465,-0.00000561,0. 00001641,-0.00001164,-0.00000299,-0.00000906,0.00000178,0.00000100,0.0 0000513,-0.00002187,0.00000747,-0.00000965,0.00000650,-0.00000180,0.00 000168,0.00003761,-0.00002098,-0.00002754,-0.00002770,0.00001695,0.000 02131,-0.00002610,0.00001745,0.00000956,0.00001274,0.00000018,-0.00000 132,-0.00000132,-0.00000165,-0.00000145,-0.00000041,0.00000049,-0.0000 0152,-0.00000107,-0.00000026,0.00000124,0.00010531,0.00009420,0.000097 38,0.00118900,-0.00151492,0.00029882,-0.00042645,0.00035790,0.00010261 ,0.00006913,-0.00018364,-0.00000381,0.00009048,-0.00001789,0.00001247, 0.00001304,-0.00000718,0.00000988,-0.00000750,-0.00002097,0.00002284,- 0.00008286,-0.00000042,0.00000845,-0.00000531,-0.00000077,0.00000295,- 0.00013653,-0.00002551,0.00008661,-0.00033833,0.00024358,-0.00030529,- 0.00491830,0.00084336,0.00376521,0.00000964,-0.00014097,0.00001371,-0. 00007473,0.00014128,-0.00006715,-0.00007166,0.00003777,0.00004584,0.00 004275,-0.00001847,-0.00001231,0.00008257,-0.00020830,0.00008329,-0.00 004594,0.00014781,-0.00002889,-0.00004645,0.00007416,-0.00007508,0.000 01727,-0.00005270,0.00003978,-0.00001093,0.00000045,-0.00001469,-0.000 00004,0.00000935,-0.00000931,-0.00000931,0.00000811,0.00000281,0.00002 987,-0.00075597,-0.00053368,0.00124834,0.00046612,0.00026889,0.0084344 0,0.02199785,-0.01021003,-0.09277817,-0.08406696,0.04389578,-0.0084702 5,-0.01962275,0.00983602,0.00068532,0.00035197,0.00008533,-0.00347338, 0.00247661,-0.00196691,0.10439694,0.00000614,-0.00000765,0.00000236,0. 00001384,0.00000107,-0.00001814,0.00000138,-0.00000333,-0.00000305,0.0 0000364,-0.00000201,-0.00000017,-0.00000240,0.00000188,-0.00000102,-0. 00000184,-0.00000009,0.00000056,0.00000083,-0.00000067,0.00000056,-0.0 0000041,0.00000051,0.00000026,-0.00000122,-0.00000094,-0.00000019,-0.0 0000745,0.00001090,0.00001027,-0.00002758,-0.00000096,0.00001961,-0.00 000396,0.00000367,0.00000475,0.00000167,-0.00000099,-0.00000043,-0.000 00422,0.00000325,0.00000017,0.00000141,-0.00000139,-0.00000013,-0.0000 0315,-0.00000715,-0.00000896,-0.00000105,0.00000318,0.00000320,0.00000 562,0.00000662,0.00000319,0.00000125,-0.00000076,-0.00000045,0.0000000 4,-0.00000032,-0.00000033,0.,0.00000039,-0.00000035,0.,-0.00000001,0.0 0000038,-0.00001072,-0.00007587,-0.00008342,-0.00001634,0.00078543,-0. 00038680,0.00024923,-0.00021317,-0.00015484,0.00001708,0.00007873,-0.0 0002003,0.00001200,0.00000405,-0.00001300,0.00001927,0.00001455,0.0000 1263,-0.00000189,0.00001427,0.00001130,0.00003723,0.00000093,-0.000002 15,0.00000622,0.00000516,0.00000203,-0.00000057,0.00000257,-0.00000183 ,0.00004879,-0.00003535,0.00013435,0.00273865,0.00113215,-0.00186544,- 0.00007639,0.00007600,0.00013898,0.00007437,0.00000993,-0.00010822,-0. 00002049,0.00001806,0.00002019,0.00000051,0.00000354,0.00000057,0.0000 1989,-0.00005302,-0.00000996,-0.00001207,0.00004627,0.00000846,-0.0000 0881,0.00001935,0.00001814,0.00000653,-0.00001001,0.00000653,-0.000001 46,-0.00000079,-0.00000163,-0.00000007,0.00000097,-0.00000152,-0.00000 178,0.00000255,0.00000057,-0.00017457,-0.00027381,-0.00061914,-0.00038 555,-0.00201933,-0.00025785,-0.00613580,-0.01619874,0.01117338,-0.0848 9233,-0.22721838,0.08470511,0.00245389,0.00685265,-0.00218339,0.000334 14,0.00010475,-0.00088391,0.00246027,-0.00092153,0.00146826,0.09756423 ,0.25332289,-0.00002191,0.00002979,-0.00000233,-0.00004671,-0.00001017 ,0.00002603,-0.00000441,-0.00000871,-0.00000911,-0.00001022,0.00000342 ,-0.00000360,0.00000833,-0.00000397,0.00000336,0.00000397,0.00000091,0 .00000133,-0.00000121,0.00000153,-0.00000076,0.00000009,-0.00000107,0. 00000090,-0.00000212,-0.00000462,-0.00000255,0.00003830,-0.00002788,-0 .00001331,0.00006891,-0.00000003,0.00000836,0.00000555,0.00000472,0.00 000873,-0.00000042,-0.00000191,-0.00000349,0.00001297,-0.00000298,0.00 000571,-0.00000374,0.00000061,-0.00000113,-0.00002279,0.00001375,0.000 01859,0.00001702,-0.00001039,-0.00001370,0.00001486,-0.00001230,-0.000 00687,-0.00000799,-0.00000024,0.00000125,0.00000074,0.00000104,0.00000 088,0.00000028,-0.00000037,0.00000096,0.00000072,0.00000015,-0.0000008 7,-0.00007233,-0.00017406,-0.00019255,-0.00114710,0.00123446,-0.000122 25,0.00035351,-0.00034123,-0.00019591,-0.00004978,0.00016043,-0.000000 22,-0.00005041,0.00002830,-0.00001655,0.00002621,0.00003059,0.00001252 ,0.00000260,0.00003044,0.00001404,0.00007116,-0.00000271,-0.00000522,0 .00000976,0.00000714,-0.00000315,0.00012830,0.00003620,-0.00008064,0.0 0043806,-0.00020913,0.00034158,0.00520855,-0.00073683,-0.00256830,-0.0 0004689,0.00008715,0.00016747,-0.00002338,-0.00006316,-0.00013491,0.00 004510,-0.00002370,-0.00002233,-0.00003031,0.00001552,0.00000853,-0.00 003306,0.00006045,-0.00004318,0.00002236,-0.00003805,0.00001661,0.0000 2222,-0.00001985,0.00005524,-0.00000968,0.00002368,-0.00000775,0.00000 160,-0.00000136,0.00000341,0.00000226,-0.00000327,0.00000216,0.0000029 5,-0.00000316,-0.00000122,0.00033572,0.00116633,-0.00013815,0.00142582 ,0.00154986,0.00007427,0.00703375,0.01485645,-0.00624773,0.04798572,0. 09138967,-0.09273371,0.00448865,0.01668989,-0.00520468,0.00038406,-0.0 0099030,-0.00110093,-0.00252967,0.00117047,-0.00088127,-0.04192869,-0. 08452342,0.10437725,-0.00000722,0.00000555,-0.00000204,-0.00003167,-0. 00001468,0.00003427,-0.00000176,-0.00000163,-0.00000497,-0.00001056,-0 .00000093,0.,0.00000359,0.00000272,0.00000287,0.00000340,0.00000065,0. 00000028,-0.00000481,0.00000095,-0.00000324,-0.00000044,-0.00000037,-0 .00000019,0.00000323,0.00000333,-0.00000092,0.00001482,-0.00001217,-0. 00001876,0.00003638,0.00002113,-0.00004867,0.00000549,0.00000502,0.000 00336,-0.00000101,-0.00000215,-0.00000290,0.00001037,-0.00000115,0.000 00352,-0.00000236,0.00000053,-0.00000076,-0.00003457,0.00001207,0.0000 1976,0.00001730,-0.00000922,-0.00001292,0.00002324,0.00000097,-0.00001 907,-0.00000686,-0.00000096,0.00000073,0.00000090,0.00000106,0.0000008 2,0.00000030,-0.00000015,0.00000096,0.00000100,0.00000036,-0.00000047, -0.00016471,-0.00025721,-0.00040346,0.00292238,-0.00065697,0.00085010, -0.00015378,0.00009544,-0.00033901,0.00003879,-0.00008602,0.00000194,- 0.00000473,0.00003016,0.00015630,0.00000054,0.00002499,0.00007753,0.00 005144,0.00013486,-0.00003129,-0.00002972,0.00000988,-0.00001307,0.000 04680,0.00002571,-0.00003553,-0.00025417,-0.00003755,0.00003138,-0.001 92814,-0.00056126,-0.00003031,0.01037194,-0.01729052,0.01022512,-0.000 19822,-0.00003399,0.00010670,0.00005109,0.00028506,0.00005096,-0.00001 743,0.00003722,-0.00003932,0.00000244,-0.00000062,0.00000887,-0.000101 10,-0.00003275,-0.00020401,0.00015687,0.00001464,0.00007581,0.00003378 ,-0.00001617,0.00012683,-0.00005106,0.00009986,-0.00005686,0.00001124, -0.00000412,0.00000843,0.00001210,-0.00001234,0.00001601,0.00000187,-0 .00000696,-0.00000762,-0.00633140,0.00769897,-0.00412267,0.00096320,0. 00020362,0.00000442,0.00007999,-0.00087387,0.00419496,-0.01880778,0.01 352034,-0.01131812,-0.17740076,0.10888599,-0.08766230,-0.00004264,-0.0 0031996,0.00025852,-0.00004463,0.00024988,-0.00022768,0.00045909,-0.00 031985,-0.00011804,0.19098610,0.00002330,-0.00003362,-0.00000136,0.000 03682,-0.00000479,0.00000809,0.00000443,0.00001237,0.00001051,0.000004 69,-0.00000492,0.00001093,-0.00000740,0.00000423,-0.00000510,-0.000000 43,-0.00000006,-0.00000213,-0.00000219,-0.00000136,-0.00000201,-0.0000 0015,0.00000085,-0.00000074,0.00000688,0.00000925,0.00000165,-0.000041 59,0.00002682,-0.00000923,-0.00006299,0.00006360,-0.00007891,-0.000001 43,-0.00000025,-0.00001619,-0.00000192,-0.00000126,0.00000531,-0.00001 019,0.00000258,-0.00000986,0.00000372,0.00000027,0.00000182,0.00004115 ,-0.00000667,-0.00000490,-0.00002272,0.00000894,0.00001315,-0.00003328 ,0.00001009,-0.00000045,0.00001057,0.00000041,-0.00000070,-0.00000138, -0.00000069,-0.00000096,-0.00000076,-0.00000010,-0.00000018,-0.0000008 9,-0.00000053,0.00000075,-0.00049419,-0.00002138,-0.00028201,0.0071614 0,-0.00148470,-0.00042887,-0.00014593,0.00016182,-0.00024310,0.0001515 9,-0.00023904,-0.00001239,0.00007620,0.00000871,0.00015710,-0.00001934 ,-0.00015408,0.00006368,0.00002116,0.00013137,-0.00008170,-0.00009513, 0.00000997,-0.00001822,0.00005079,0.00003319,-0.00001705,-0.00052150,0 .00001211,0.00021683,-0.00086754,0.00225505,-0.00200151,0.00686555,-0. 03319451,0.01926577,-0.00035508,-0.00016126,0.00005924,0.00011205,0.00 059543,0.00018066,-0.00011177,0.00008671,-0.00002371,0.00004597,-0.000 01388,0.00000016,-0.00015508,0.00002298,0.00008106,0.00003233,-0.00004 992,-0.00004694,0.00002931,-0.00001353,-0.00009665,-0.00002268,0.00002 301,0.00000313,0.00000012,0.00000594,0.00000360,0.00000441,-0.00000503 ,0.00000378,0.00000932,-0.00000746,-0.00000297,-0.00835228,0.01162373, -0.00495199,0.00098353,-0.00047095,-0.00098146,0.00036704,0.00070043,- 0.00088742,0.00634963,-0.00340273,0.00304862,0.10109936,-0.13345076,0. 06581601,0.00049651,0.00045069,0.00124859,-0.00017851,0.00025529,-0.00 002408,-0.00031819,0.00064940,-0.00045127,-0.10863126,0.15583412,-0.00 000530,0.00001045,-0.00000405,0.00000248,0.00001791,0.00000266,0.00000 091,0.00000791,0.00000713,0.00000846,0.00000652,0.00000800,-0.00000075 ,-0.00001056,-0.00000146,-0.00000129,-0.00000119,-0.00000130,-0.000000 87,-0.00000015,-0.00000043,0.00000277,-0.00000013,-0.00000010,-0.00000 122,-0.00000275,-0.00000071,-0.00000349,-0.00001093,-0.00000453,0.0000 1009,-0.00003243,0.00001684,-0.00000113,-0.00001032,-0.00001100,-0.000 00092,0.00000344,0.00000370,-0.00000780,-0.00000596,-0.00000840,0.0000 0206,0.00000248,0.00000234,0.00008970,0.00000941,0.00000220,-0.0000429 9,0.00000859,0.00001747,-0.00007880,-0.00003592,0.00001296,0.00001738, 0.00000602,-0.00000136,-0.00000267,-0.00000099,-0.00000086,-0.00000182 ,-0.00000150,-0.00000059,-0.00000172,-0.00000035,0.00000031,0.00014100 ,0.00002254,0.00057168,-0.00328792,0.00179445,0.00000516,0.00007348,0. 00001894,0.00003068,-0.00004422,0.00014017,0.00001815,-0.00007013,-0.0 0009880,-0.00015051,-0.00010495,-0.00010337,-0.00007379,-0.00000313,-0 .00007085,0.00003716,0.00002578,-0.00001312,0.00000076,-0.00004270,-0. 00003958,0.00002348,0.00022198,0.00006872,-0.00012594,0.00012500,-0.00 136591,0.00026611,-0.00029082,0.01173723,-0.00291393,0.00014257,-0.000 07045,-0.00012311,-0.00003850,-0.00019914,-0.00003253,0.00002603,-0.00 007871,0.00000451,-0.00000152,0.00000993,-0.00000662,-0.00002240,0.000 10012,0.00021168,-0.00001033,-0.00007111,-0.00008504,-0.00000483,-0.00 001233,-0.00014844,0.00001165,-0.00002376,0.00005287,-0.00000951,0.000 00718,-0.00000985,-0.00000250,0.00000387,-0.00000949,0.00001070,-0.000 00414,-0.00000013,-0.01628436,0.01438428,-0.00872983,0.00175392,-0.000 56772,-0.00196759,0.00121647,-0.00026960,-0.00369728,0.01754700,-0.013 86477,0.01152276,-0.08408991,0.06499627,-0.10600977,0.00007799,-0.0007 3793,0.00045641,-0.00004964,-0.00023256,0.00021329,-0.00097920,0.00034 289,0.00085900,0.08930735,-0.07592741,0.11048650,0.00000542,-0.0000062 4,-0.00000004,0.00003280,0.00002186,-0.00002389,0.00000338,0.00000692, 0.00000341,0.00001368,0.00000384,0.00000314,-0.00000568,-0.00000454,-0 .00000157,-0.00000435,-0.00000141,0.00000016,0.00000128,-0.00000120,0. 00000151,0.00000239,0.00000102,-0.00000090,0.00000005,-0.00000104,0.00 000146,-0.00001957,0.00000458,0.00001082,-0.00004471,-0.00002653,0.000 01978,-0.00000622,-0.00001009,-0.00000331,0.00000239,0.00000499,0.0000 0166,-0.00001347,-0.00000254,-0.00000581,0.00000374,0.00000108,0.00000 187,0.00006226,-0.00000231,-0.00001416,-0.00003667,0.00001086,0.000019 43,-0.00005247,-0.00001742,0.00001057,0.00001716,0.00000503,-0.0000026 8,-0.00000192,-0.00000145,-0.00000090,-0.00000127,-0.00000086,-0.00000 161,-0.00000144,0.00000031,0.00000095,0.00007404,0.00005268,0.00006142 ,0.00025640,0.00004193,-0.00008090,-0.00004089,0.00009910,-0.00006195, -0.00000037,-0.00000150,0.00000819,0.00002734,0.00000507,-0.00001694,0 .00000080,0.00000233,-0.00000726,-0.00001111,-0.00001541,0.00002461,-0 .00001648,-0.00000780,0.00000294,-0.00000834,-0.00000482,0.00000259,-0 .00000833,0.00004793,-0.00000888,-0.00015314,-0.00006949,-0.00003278,- 0.00020847,-0.00035856,0.00011429,0.00000665,-0.00011149,0.00003406,-0 .00003740,0.00008153,-0.00005537,-0.00001034,-0.00003386,0.00002059,0. 00001068,0.00000389,-0.00001185,0.00002874,0.00000444,0.00003702,-0.00 002771,0.00000227,-0.00002433,-0.00002421,-0.00000021,-0.00003333,0.00 002110,-0.00001840,0.00001432,0.00000068,0.00000079,0.00000030,-0.0000 0465,-0.00000049,-0.00000222,0.00000230,0.00000029,0.00000084,-0.00184 604,0.00084122,0.00434387,-0.12588016,0.08361403,-0.08443339,-0.003978 56,0.00596764,-0.00740366,0.00055987,-0.00136227,-0.00019874,0.0002600 5,0.00052987,0.00012233,-0.00016935,0.00005812,-0.00001057,0.00010546, -0.00004069,0.00008905,-0.00004478,0.00011112,-0.00004542,-0.00011019, -0.00012346,-0.00009103,0.14665401,0.00000315,-0.00000451,0.00000168,- 0.00000069,-0.00000618,-0.00000392,-0.00000020,-0.00000347,-0.00000179 ,-0.00000283,-0.00000295,-0.00000177,0.00000035,0.00000340,-0.00000010 ,0.00000024,0.00000042,0.00000007,0.00000023,-0.00000002,-0.00000009,- 0.00000133,-0.00000012,0.00000040,-0.00000037,0.00000060,-0.00000011,0 .00000007,0.00000665,0.00000333,-0.00000396,0.00000685,0.00000292,-0.0 0000011,0.00000486,0.00000323,0.00000002,-0.00000209,-0.00000080,0.000 00228,0.00000307,0.00000237,-0.00000063,-0.00000126,-0.00000084,-0.000 02773,-0.00000501,-0.00000170,0.00001430,-0.00000171,-0.00000538,0.000 02566,0.00001321,-0.00000124,-0.00000673,-0.00000264,0.00000096,0.0000 0085,0.00000027,0.00000017,0.00000064,0.00000066,0.00000037,0.00000054 ,-0.00000018,-0.00000018,-0.00001392,-0.00002320,-0.00002909,0.0000027 3,-0.00003907,-0.00004303,0.00000249,-0.00003561,-0.00000200,0.0000056 5,-0.00001148,-0.00000969,0.00000417,-0.00000029,0.00000256,0.00000788 ,0.00000744,0.00000450,0.00000095,0.00000343,0.00000117,0.00000232,0.0 0000348,0.00000109,0.00000303,0.00000248,0.,-0.00003176,-0.00002471,0. 00002587,0.00000903,0.00004089,0.00002772,-0.00004276,0.00018493,0.000 18538,-0.00001424,0.00003593,0.00002699,0.00001709,-0.00000111,-0.0000 1872,-0.00000468,0.00002233,0.00000537,-0.00000111,-0.00000350,0.00000 244,0.00000741,-0.00004089,-0.00002404,-0.00000116,0.00003188,0.000014 79,-0.00000034,0.00001334,0.00001976,-0.00000132,-0.00000427,-0.000002 55,-0.00000084,-0.00000121,-0.00000148,0.00000107,0.00000158,-0.000000 28,-0.00000288,0.00000201,0.00000095,0.00058510,0.00146774,-0.00222437 ,0.08289548,-0.13820232,0.08482172,-0.01014596,0.01099206,-0.01032238, 0.00098829,-0.00186854,-0.00199687,0.00025634,-0.00052922,-0.00023441, -0.00073172,0.00008775,0.00010112,0.00020200,0.00107497,0.00073300,-0. 00019225,0.00031229,-0.00021096,-0.00002949,0.00007616,0.00016047,-0.0 8923190,0.16330569,0.00000521,-0.00000695,0.00000294,0.00002193,0.0000 0671,-0.00002629,0.00000198,-0.00000099,-0.00000255,0.00000452,-0.0000 0143,-0.00000342,-0.00000345,0.00000237,0.,-0.00000306,-0.00000067,0.0 0000082,0.00000113,-0.00000024,0.00000166,-0.00000014,0.00000076,-0.00 000052,-0.00000044,-0.00000032,0.00000084,-0.00000934,0.00000988,0.000 01547,-0.00003680,-0.00001010,0.00002280,-0.00000491,-0.00000047,0.000 00616,0.00000232,0.00000134,-0.00000156,-0.00000435,0.00000203,0.00000 189,0.00000119,-0.00000091,-0.00000038,-0.00001139,-0.00001034,-0.0000 1692,0.00000187,0.00000272,0.00000455,0.00001527,0.00001034,0.00000840 ,0.,-0.00000022,-0.00000119,0.00000041,-0.00000049,0.00000002,0.000000 35,0.00000042,-0.00000094,-0.00000011,0.00000046,0.00000035,0.00001696 ,-0.00001310,-0.00002704,0.00018228,-0.00006478,-0.00012141,-0.0000272 0,0.00000802,-0.00004196,0.00000913,-0.00002369,-0.00001608,0.00002675 ,0.00000883,-0.00000616,0.00001583,0.00001792,0.00000413,-0.00000361,- 0.00000400,0.00001910,-0.00000805,0.00000045,0.00000513,0.00000005,0.0 0000179,0.00000167,-0.00005584,-0.00001509,0.00004471,-0.00006325,0.00 003228,0.00003540,-0.00028698,0.00009687,0.00037932,-0.00002063,-0.000 01431,0.00007791,0.00000918,0.00006031,-0.00007310,-0.00001259,0.00001 663,0.00002972,0.00000223,-0.00000158,-0.00000653,0.00002422,-0.000045 66,-0.00003098,-0.00001552,0.00003679,0.00001802,-0.00001476,0.0000130 1,0.00002381,0.00000994,-0.00000707,-0.00000428,0.00000077,-0.00000048 ,0.00000123,-0.00000187,-0.00000008,-0.00000035,-0.00000111,0.00000327 ,0.00000019,0.00350098,-0.00184927,-0.00197156,-0.09451862,0.09092557, -0.14736194,-0.01925599,0.01597414,-0.01455068,0.00196809,-0.00425404, -0.00150738,0.00063918,-0.00069311,-0.00042397,0.00012704,-0.00020766, -0.00006853,0.00024890,-0.00043626,0.00092258,0.00007040,0.00018290,0. 00011167,-0.00000892,0.00015983,0.00025225,0.08458980,-0.09691641,0.15 232119,0.00011199,-0.00014317,0.00000057,0.00036983,0.00019695,-0.0002 1865,0.00003767,0.00008509,0.00006406,0.00015006,0.00002660,0.00005366 ,-0.00006988,-0.00003303,-0.00002701,-0.00004149,-0.00001297,-0.000004 32,0.00001172,-0.00001602,0.00000964,0.00002077,0.00001049,-0.00000819 ,0.00000394,0.00000274,0.00001857,-0.00026800,0.00011636,0.00009000,-0 .00052904,-0.00018566,0.00010283,-0.00006328,-0.00009766,-0.00007337,0 .00001862,0.00004537,0.00003232,-0.00015776,-0.00001573,-0.00007973,0. 00004518,0.00000848,0.00002351,0.00063810,-0.00003895,-0.00012249,-0.0 0037714,0.00012013,0.00019365,-0.00053370,-0.00012381,0.00006308,0.000 17995,0.00004218,-0.00002141,-0.00001983,-0.00001342,-0.00001268,-0.00 001261,-0.00000716,-0.00001271,-0.00001245,-0.00000062,0.00001068,0.00 070457,0.00063423,0.00074005,0.00225390,0.00033298,-0.00012553,-0.0001 1702,0.00078790,0.00006863,0.00009701,0.00003088,-0.00004728,0.0002683 3,-0.00005371,-0.00005256,-0.00004577,-0.00003832,-0.00006704,-0.00000 246,-0.00000935,-0.00003294,-0.00012596,-0.00006092,0.00002287,-0.0000 7824,-0.00004366,0.00001956,0.00003709,0.00009168,-0.00021358,-0.00164 591,-0.00054995,-0.00046135,0.00049757,-0.00002871,0.00077463,0.000035 79,-0.00082558,-0.00025567,-0.00022432,0.00050654,0.00010978,-0.000221 92,-0.00020127,0.00010100,0.00017922,-0.00000607,-0.00007551,0.0003332 8,-0.00001772,0.00049093,-0.00028729,0.00006943,-0.00027842,-0.0002382 4,0.00002858,-0.00043165,0.00019774,-0.00021062,0.00016335,0.00000409, 0.00001140,-0.00000299,-0.00004274,0.00000152,-0.00002199,0.00001623,0 .00000534,0.00000716,-0.11245808,0.05892061,-0.04617462,-0.12197653,0. 03608883,0.05608948,-0.00441664,0.00019616,0.00656868,-0.00535682,0.00 259942,0.00220187,-0.02263159,0.02052931,-0.02090456,0.00797980,0.0046 4732,-0.00123749,0.00093230,0.00087413,0.00019493,-0.00029380,-0.00000 077,-0.00030302,-0.00081281,-0.00335323,-0.00551238,-0.02693178,0.0148 9179,0.02001758,0.34823251,0.00004977,-0.00007037,0.00002047,0.0000357 4,-0.00005921,-0.00006605,0.00000210,-0.00003160,-0.00001521,-0.000025 14,-0.00003576,-0.00001896,-0.00000436,0.00004166,-0.00000232,-0.00000 097,0.00000319,-0.00000003,0.00000242,0.00000017,0.00000068,-0.0000138 8,0.00000034,0.00000222,-0.00000141,0.00000980,0.00000006,-0.00003200, 0.00009332,0.00004981,-0.00009901,0.00008765,0.00000605,-0.00000551,0. 00005191,0.00003162,0.00000005,-0.00002199,-0.00000752,0.00001727,0.00 003546,0.00002449,-0.00000418,-0.00001417,-0.00000955,-0.00026822,-0.0 0007142,-0.00005197,0.00013244,-0.00000596,-0.00003589,0.00025611,0.00 014945,0.00000842,-0.00006405,-0.00002695,0.00000525,0.00000812,0.0000 0132,0.00000184,0.00000644,0.00000735,0.00000187,0.00000359,-0.0000011 7,-0.00000116,-0.00010403,-0.00003597,-0.00010224,0.00087039,-0.000352 87,-0.00051263,0.00020499,-0.00031016,0.00015928,0.00012648,-0.0001016 5,-0.00017919,0.00005955,-0.00005980,0.00005506,0.00003822,0.00000774, 0.00003619,0.00005792,0.00009802,-0.00011274,0.00001774,0.00003459,0.0 0000575,0.00002590,0.00001993,0.00000415,-0.00006409,-0.00032933,0.000 23241,-0.00052658,0.00055782,0.00004231,-0.00167515,0.00503841,-0.0007 8824,-0.00016441,0.00039246,0.00003076,0.00027378,-0.00013195,0.000115 50,-0.00012175,0.00026111,0.00008668,0.00001669,-0.00004789,0.00001104 ,0.00007568,-0.00042312,-0.00016770,-0.00001195,0.00030985,0.00013008, -0.00000324,0.00014096,0.00012623,-0.00002176,-0.00004134,-0.00002780, -0.00001297,-0.00000617,-0.00001606,0.00001048,0.00001712,-0.00000379, -0.00002820,0.00002159,0.00000625,0.04169733,-0.11212178,0.05422863,0. 04170066,-0.08932094,-0.02336082,0.01901179,-0.00064382,-0.00859209,0. 00333929,-0.00107751,0.00093792,-0.00063417,0.00371487,0.00157579,0.02 503791,-0.02545885,0.02219321,0.00059851,0.00111208,0.00113516,0.00005 317,0.00025119,-0.00068619,-0.00152555,-0.00038592,-0.00132097,0.02195 544,-0.00687279,-0.01607981,-0.13739954,0.23329923,0.00002971,-0.00003 850,0.00002390,0.00012330,0.00001128,-0.00017656,0.00000764,-0.0000216 7,-0.00002287,0.00001079,-0.00001950,-0.00003648,-0.00001691,0.0000265 7,0.00000489,-0.00001613,-0.00000356,0.00000465,0.00000793,0.00000208, 0.00001271,-0.00000569,0.00000378,-0.00000271,-0.00000512,-0.00000200, 0.00000409,-0.00003729,0.00007241,0.00011393,-0.00019661,-0.00004884,0 .00014473,-0.00002503,0.00001914,0.00005199,0.00001133,-0.00000163,-0. 00001304,-0.00000841,0.00002304,0.00002832,0.00000123,-0.00001114,-0.0 0000826,-0.00018392,-0.00008783,-0.00013572,0.00007110,0.00001205,0.00 001522,0.00019791,0.00009956,0.00008461,-0.00003342,-0.00001071,-0.000 00787,0.00000638,-0.00000295,0.00000264,0.00000451,0.00000519,-0.00000 552,-0.00000048,0.00000303,0.00000095,0.00024933,0.00010161,0.00013832 ,0.00130982,-0.00012671,-0.00193193,-0.00018318,-0.00002158,-0.0003106 1,0.00006082,-0.00020771,-0.00017135,0.00013465,0.00000054,-0.00007977 ,0.00003220,0.00007415,0.00001114,-0.00001248,-0.00009840,0.00011282,- 0.00004629,0.00001644,0.00003732,-0.00001272,-0.00000921,0.00002907,-0 .00036906,0.00001323,0.00031246,-0.00080812,-0.00010220,0.00058456,0.0 0011933,-0.00072817,0.00389192,-0.00014889,0.00008135,0.00041193,0.000 12618,0.00019762,-0.00020523,-0.00005727,0.00015389,0.00027398,-0.0000 0735,-0.00001273,-0.00005118,0.00018240,-0.00016897,-0.00012259,-0.000 12937,0.00016198,0.00010097,-0.00007888,0.00006075,0.00009154,0.000068 15,-0.00006188,-0.00002546,0.00000701,0.00000088,0.00001452,-0.0000156 9,0.00000101,-0.00000440,-0.00000204,0.00002105,-0.00000218,-0.0190700 6,0.03154004,-0.12824704,0.03441694,-0.00492464,-0.13524166,0.03335764 ,-0.00978914,-0.01897011,0.00171533,0.00261721,0.00476864,-0.02698004, 0.02420510,-0.02150253,-0.01614418,0.01746103,-0.00986151,-0.00044812, -0.00077508,0.00040238,-0.00016735,0.00006405,-0.00038187,-0.00189320, -0.00435149,-0.00475751,-0.00871515,0.00289432,0.01085016,-0.03747702, -0.04498757,0.31262830,0.00010850,-0.00014282,0.00000986,0.00029685,0. 00011622,-0.00019400,0.00003091,0.00004950,0.00003664,0.00010670,0.000 00427,0.00003522,-0.00005707,-0.00000736,-0.00002282,-0.00003202,-0.00 000825,-0.00000206,0.00000950,-0.00001278,0.00000686,0.00001048,0.0000 0899,-0.00000498,0.00000250,0.00000696,0.00001313,-0.00021909,0.000133 45,0.00008921,-0.00044850,-0.00008954,0.00008387,-0.00005324,-0.000047 96,-0.00003825,0.00001631,0.00002400,0.00002067,-0.00011728,0.00000490 ,-0.00005191,0.00003477,-0.00000022,0.00001454,0.00037677,-0.00005886, -0.00011245,-0.00023532,0.00008877,0.00013302,-0.00029989,-0.00003114, 0.00004496,0.00011529,0.00002121,-0.00001419,-0.00001176,-0.00000945,- 0.00000947,-0.00000710,-0.00000259,-0.00000897,-0.00000739,-0.00000089 ,0.00000804,0.00036419,0.00032953,0.00033401,0.00189611,-0.00008294,-0 .00008784,-0.00000892,0.00026374,-0.00007076,0.00013540,-0.00004151,-0 .00007763,0.00025072,-0.00005816,-0.00000363,0.00000422,-0.00002235,-0 .00000535,0.00000204,0.00002254,-0.00002050,-0.00007927,-0.00002768,0. 00001544,-0.00002888,-0.00001098,0.00001444,-0.00000900,0.00007172,-0. 00001114,-0.00104972,-0.00000887,-0.00045835,-0.00176114,-0.00100046,- 0.00003757,-0.00015541,-0.00031819,0.00000742,0.00009271,0.00031701,-0 .00000052,-0.00023681,-0.00001359,0.00011136,0.00014493,-0.00002158,-0 .00004411,0.00025159,-0.00022389,0.00025236,-0.00020080,0.00020103,-0. 00013507,-0.00017214,0.00008642,-0.00022894,0.00013091,-0.00015627,0.0 0010455,-0.00000114,0.00000454,-0.00000848,-0.00002497,0.00000459,-0.0 0001588,0.00000221,0.00001226,0.00000767,0.00007284,-0.00318744,0.0030 8282,-0.10413326,-0.07082985,0.00654678,-0.01317716,-0.02489902,0.0055 4982,0.00143767,0.00102512,0.00194149,0.00077428,0.00097012,0.00048629 ,-0.00260174,-0.00045385,0.00040506,-0.00013888,-0.00229990,-0.0038579 1,-0.00099500,-0.00055241,-0.00030442,-0.00011982,-0.00017368,-0.00022 839,0.01165298,0.00014354,0.00343413,-0.03610855,-0.02168945,0.0238699 8,0.26904275,0.00008964,-0.00011944,0.00001474,0.00018105,0.00003069,- 0.00013315,0.00001878,0.00001217,0.00001351,0.00005084,-0.00001496,0.0 0001616,-0.00003481,0.00001415,-0.00001609,-0.00001757,-0.00000264,-0. 00000149,0.00000640,-0.00000811,0.00000280,-0.00000054,0.00000531,-0.0 0000094,0.00000007,0.00000906,0.00000666,-0.00014299,0.00012562,0.0000 6869,-0.00029308,-0.00000088,0.00004566,-0.00003275,0.00000184,-0.0000 0924,0.00000902,0.00000047,0.00000982,-0.00006217,0.00002186,-0.000021 64,0.00001920,-0.00000785,0.00000448,0.00011579,-0.00006575,-0.0000820 7,-0.00008546,0.00005307,0.00006239,-0.00007786,0.00004474,0.00002616, 0.00004113,-0.00000087,-0.00000485,-0.00000394,-0.00000488,-0.00000550 ,-0.00000183,0.00000194,-0.00000363,-0.00000269,-0.00000196,0.00000440 ,0.00013746,0.00011410,0.00010705,0.00098698,-0.00004134,-0.00010533,0 .00012685,-0.00011750,-0.00007224,0.00013152,-0.00005086,-0.00010196,0 .00016636,-0.00007101,0.00002084,0.00001627,-0.00001156,0.00001890,0.0 0001831,0.00004157,-0.00004117,-0.00002069,0.00000095,0.00000671,0.000 00135,0.00000586,0.00001081,-0.00011537,-0.00006766,0.00005636,-0.0005 8541,0.00017986,-0.00021127,-0.00057284,0.00084278,0.00029938,-0.00020 024,0.00010573,0.00007272,0.00025714,0.00005906,0.00001650,-0.00019151 ,0.00011065,0.00009145,0.00009299,-0.00003119,-0.00001271,0.00017695,- 0.00032242,0.00008006,-0.00012386,0.00026949,-0.00003137,-0.00009565,0 .00011936,-0.00007693,0.00006852,-0.00012310,0.00006221,-0.00000762,-0 .00000245,-0.00001625,-0.00000858,0.00001237,-0.00001257,-0.00001308,0 .00001583,0.00001047,0.00363906,-0.00297426,0.00318600,-0.03467413,-0. 20563857,-0.00453389,-0.02156397,-0.03220652,0.00527220,0.00216269,-0. 00290628,0.00188588,-0.00048997,-0.00015522,-0.00114757,0.00003884,0.0 0256274,-0.00126369,-0.00148178,-0.00120109,-0.00566621,-0.00093179,0. 00122984,-0.00139086,-0.00037943,-0.00006281,-0.00002505,-0.02208386,- 0.02798620,0.01292884,-0.01297584,0.01545406,0.00600160,0.06396574,0.3 1626423,-0.00000295,0.00000415,0.00001001,0.00001559,-0.00001263,-0.00 005607,0.00000082,-0.00001933,-0.00002285,-0.00000982,-0.00000928,-0.0 0002252,-0.00000039,0.00001268,0.00000536,-0.00000359,-0.00000045,0.00 000394,0.00000191,0.00000254,0.00000495,-0.00000363,0.00000105,-0.0000 0072,-0.00000247,-0.00000207,-0.00000085,0.00001373,0.00001382,0.00004 142,-0.00002721,-0.00000281,0.00005595,-0.00000613,0.00001829,0.000036 89,0.00000483,-0.00000457,-0.00001186,0.00001200,0.00001077,0.00002173 ,-0.00000353,-0.00000552,-0.00000610,-0.00011862,-0.00003445,-0.000053 22,0.00005399,-0.00000290,-0.00000448,0.00011708,0.00004484,0.00003634 ,-0.00002635,-0.00000635,-0.00000324,0.00000394,-0.00000062,0.00000239 ,0.00000265,0.00000251,-0.00000199,0.00000020,0.00000173,-0.00000038,- 0.00003197,-0.00009951,-0.00012408,0.00003498,-0.00012902,-0.00039880, -0.00005103,-0.00013630,-0.00020993,0.00001603,-0.00007031,-0.00005079 ,0.00003490,0.00001583,-0.00002112,0.00002519,0.00003461,0.00001718,-0 .00000462,-0.00002837,0.00006195,-0.00000150,0.00000965,0.00000908,0.0 0001040,0.00000819,0.00000644,-0.00018566,-0.00001327,0.00012107,0.000 05676,0.00008539,0.00022539,-0.00053803,0.00032274,0.00130738,-0.00007 943,0.00015473,0.00026983,0.00013569,0.00002503,-0.00018383,-0.0000035 2,0.00007272,0.00010556,-0.00002297,0.00000245,-0.00001819,0.00001110, -0.00007067,-0.00014465,-0.00000663,0.00005822,0.00008463,-0.00000114, 0.00001777,0.00011976,0.00000292,0.00001076,-0.00003811,0.00000251,-0. 00000123,0.00000649,-0.00000083,-0.00000220,0.00000198,-0.00000168,0.0 0000697,-0.00000087,-0.00433732,0.00494288,-0.00329434,0.02253720,0.03 499257,-0.09426901,-0.00756349,-0.02168329,0.00754170,0.00162100,0.001 79440,-0.00009484,0.00069073,-0.00111431,-0.00158285,-0.00047156,-0.00 146046,0.00047836,-0.00219186,-0.00358172,-0.00438915,-0.00005849,-0.0 0143322,0.00060432,0.00007533,0.00022093,0.00051658,0.01450484,0.02241 959,-0.00032151,0.03976484,0.02043555,-0.01408980,-0.24329130,0.064652 11,0.43040005,-0.00004152,0.00005469,-0.00000664,-0.00011947,-0.000040 96,0.00009062,-0.00001224,-0.00001403,-0.00000768,-0.00004028,0.000000 57,-0.00000807,0.00002257,-0.00000028,0.00000765,0.00001343,0.00000335 ,-0.00000046,-0.00000424,0.00000439,-0.00000394,-0.00000323,-0.0000037 8,0.00000201,-0.00000010,-0.00000204,-0.00000487,0.00008093,-0.0000561 0,-0.00004566,0.00018207,0.00003551,-0.00005025,0.00002298,0.00001391, 0.00000479,-0.00000817,-0.00000839,-0.00000502,0.00004384,-0.00000469, 0.00001497,-0.00001308,0.00000155,-0.00000435,-0.00011311,0.00003146,0 .00005631,0.00007655,-0.00003295,-0.00004941,0.00008318,-0.00000038,-0 .00002469,-0.00003843,-0.00000655,0.00000609,0.00000341,0.00000374,0.0 0000320,0.00000200,0.00000040,0.00000394,0.00000253,-0.00000009,-0.000 00306,-0.00012243,-0.00007834,-0.00007423,-0.00063614,0.00011168,0.000 17344,0.00002317,-0.00004427,0.00008426,-0.00005392,0.00003813,0.00004 327,-0.00010831,0.00001514,0.00000707,-0.00001237,-0.00000698,-0.00000 439,0.00000100,0.00000244,-0.00001200,0.00002798,0.00000706,-0.0000090 0,0.00000691,0.00000070,-0.00000715,0.00008001,-0.00002184,-0.00004063 ,0.00034032,-0.00002022,0.00007950,0.00078090,0.00016232,-0.00058064,0 .00008423,0.00005543,-0.00009176,-0.00007320,-0.00011462,0.00006206,0. 00008944,-0.00001944,-0.00007012,-0.00004907,0.00000725,0.00001980,-0. 00010167,0.00010554,-0.00004728,0.00007971,-0.00009552,0.00002426,0.00 006753,-0.00003751,0.00004524,-0.00005237,0.00005596,-0.00002814,-0.00 000120,-0.00000114,0.00000054,0.00001012,-0.00000049,0.00000494,-0.000 00060,-0.00000680,-0.00000260,0.00098948,-0.00156397,0.00140106,-0.013 20573,0.00613195,0.02010062,-0.00120669,-0.00201893,0.00031575,-0.0015 9313,-0.00078335,-0.00024647,-0.00041233,0.00017001,0.00061053,0.00035 968,0.00030550,0.00001142,0.00016750,0.00088433,0.00080602,-0.00067358 ,0.00062942,-0.00082728,0.00005601,-0.00004689,-0.00015096,0.00018930, 0.00130492,-0.00027429,-0.00667833,-0.00382192,0.00333576,-0.12940499, 0.02634039,0.18377260,0.15109263,-0.00002711,0.00003593,-0.00000548,-0 .00005493,-0.00000692,0.00004543,-0.00000603,-0.00000055,-0.00000030,- 0.00001484,0.00000553,-0.00000384,0.00001046,-0.00000488,0.00000491,0. 00000565,0.00000063,-0.00000011,-0.00000216,0.00000260,-0.00000097,0.0 0000050,-0.00000168,-0.00000004,0.00000051,-0.00000240,-0.00000152,0.0 0004201,-0.00004005,-0.00002450,0.00008890,0.00000062,-0.00002140,0.00 001093,-0.00000420,-0.00000203,-0.00000357,0.00000133,-0.00000161,0.00 001850,-0.00000856,0.00000497,-0.00000585,0.00000330,-0.00000081,-0.00 003160,0.00002239,0.00002837,0.00002477,-0.00001696,-0.00001945,0.0000 2002,-0.00001454,-0.00001044,-0.00001173,0.00000069,0.00000159,0.00000 113,0.00000167,0.00000166,0.00000055,-0.00000075,0.00000127,0.00000086 ,0.00000057,-0.00000136,-0.00004057,-0.00001740,-0.00001849,-0.0002581 0,0.00001385,0.00008158,-0.00002504,0.00005031,0.00007251,-0.00003683, 0.00002059,0.00002697,-0.00005408,0.00002116,0.00000146,-0.00000747,0. 00000044,-0.00000617,-0.00000056,-0.00000378,-0.00000508,0.00000589,-0 .00000067,-0.00000194,-0.00000174,-0.00000269,-0.00000396,0.00004712,- 0.00000316,-0.00002590,0.00014973,-0.00004552,0.00003281,0.00022279,-0 .00014216,-0.00015366,0.00006904,-0.00004891,-0.00007299,-0.00008190,- 0.00001306,0.00004157,0.00005445,-0.00003463,-0.00003746,-0.00002512,0 .00000789,0.00000540,-0.00005591,0.00011554,-0.00000958,0.00004067,-0. 00009868,0.00000460,0.00002972,-0.00004333,0.00001093,-0.00002315,0.00 004279,-0.00002118,0.00000309,0.00000210,0.00000644,0.00000236,-0.0000 0453,0.00000482,0.00000501,-0.00000550,-0.00000455,0.00114042,0.000090 14,0.00002974,-0.01981584,0.00655160,0.03280526,-0.00681775,-0.0008270 6,0.00212230,0.00005709,0.00114725,-0.00088748,0.00022615,0.00001531,0 .00033394,-0.00041658,0.00021661,-0.00037294,0.00103158,0.00029651,-0. 00013059,0.00016022,-0.00006713,0.00034271,0.00014567,-0.00005625,-0.0 0015278,-0.00022522,-0.00260114,0.00056568,-0.00501060,-0.00443387,0.0 0213258,0.05704493,-0.06649587,-0.11245346,-0.03057446,0.06633810,-0.0 0000031,0.00000051,-0.00000466,-0.00001048,0.00000403,0.00002652,-0.00 000109,0.00000806,0.00001057,0.00000268,0.00000383,0.00000968,0.000001 18,-0.00000533,-0.00000199,0.00000207,0.00000034,-0.00000195,-0.000000 86,-0.00000087,-0.00000223,0.00000140,-0.00000067,0.00000046,0.0000010 6,0.00000078,0.00000016,-0.00000258,-0.00000808,-0.00001894,0.00001610 ,0.00000231,-0.00002405,0.00000367,-0.00000759,-0.00001690,-0.00000270 ,0.00000170,0.00000562,-0.00000343,-0.00000497,-0.00000911,0.00000087, 0.00000256,0.00000250,0.00004288,0.00001689,0.00002577,-0.00001796,-0. 00000104,-0.00000111,-0.00004425,-0.00001958,-0.00001585,0.00000867,0. 00000241,0.00000181,-0.00000140,0.00000049,-0.00000075,-0.00000098,-0. 00000110,0.00000105,0.00000006,-0.00000068,-0.00000008,0.00001319,0.00 003636,0.00005031,-0.00001785,0.00005435,0.00013121,0.00001480,0.00004 293,0.00005778,-0.00000638,0.00002604,0.00002536,-0.00001585,-0.000005 89,0.00000767,-0.00000853,-0.00001427,-0.00000520,0.,0.00000560,-0.000 01816,0.00000068,-0.00000342,-0.00000410,-0.00000346,-0.00000334,-0.00 000181,0.00005256,0.00002365,-0.00004004,-0.00001644,-0.00003098,-0.00 008602,0.00013787,-0.00025038,-0.00040804,0.00002396,-0.00004920,-0.00 008867,-0.00003229,-0.00000490,0.00006088,0.00000343,-0.00002947,-0.00 004089,0.00000714,0.00000037,0.00000820,-0.00000473,0.00003404,0.00006 974,0.00000375,-0.00002817,-0.00003883,0.00000145,-0.00000840,-0.00005 561,-0.00000289,-0.00000288,0.00001789,-0.00000109,0.00000075,-0.00000 252,0.00000062,0.00000089,-0.00000076,0.00000093,-0.00000323,-0.000000 29,-0.00037737,0.00001565,0.00109107,0.01274561,0.00161834,-0.01187413 ,-0.00373277,-0.00205587,0.00392455,-0.00009888,-0.00079224,0.00003127 ,0.00027626,0.00037707,0.00066435,0.00058006,-0.00029554,0.00006342,0. 00090424,0.00015501,-0.00105281,-0.00051262,0.00033450,-0.00012021,0.0 0001613,-0.00007308,-0.00011671,-0.00043193,-0.00005376,0.00053859,-0. 00428040,0.00103212,0.00154739,0.20242870,-0.07664496,-0.32328564,-0.2 0899498,0.07519023,0.33312094,0.00013077,-0.00017184,0.00001403,0.0003 6714,0.00014339,-0.00025380,0.00003514,0.00005973,0.00005032,0.0001232 1,0.00000157,0.00003538,-0.00006730,-0.00000275,-0.00002503,-0.0000394 2,-0.00001028,-0.00000375,0.00001251,-0.00001395,0.00001023,0.00001063 ,0.00001028,-0.00000638,0.00000315,0.00000840,0.00001695,-0.00025982,0 .00016332,0.00012087,-0.00056812,-0.00011503,0.00012159,-0.00006294,-0 .00006058,-0.00004774,0.00001760,0.00003074,0.00002601,-0.00013416,0.0 0000580,-0.00005730,0.00003855,0.00000003,0.00001603,0.00036658,-0.000 07567,-0.00014076,-0.00023734,0.00009434,0.00014292,-0.00028179,-0.000 01109,0.00005940,0.00011785,0.00002149,-0.00001542,-0.00001127,-0.0000 1023,-0.00000963,-0.00000638,-0.00000211,-0.00001056,-0.00000764,-0.00 000015,0.00000868,0.00049266,0.00042780,0.00048797,0.00250612,-0.00013 876,-0.00072254,-0.00007011,0.00030512,-0.00016953,0.00018651,-0.00011 216,-0.00012975,0.00032009,-0.00006883,-0.00001987,0.00002101,-0.00000 813,0.00000385,-0.00000017,-0.00000935,0.00000210,-0.00011185,-0.00002 725,0.00002923,-0.00003989,-0.00001812,0.00002772,-0.00024304,0.000043 30,0.00012415,-0.00155941,-0.00005158,-0.00040465,-0.00226915,-0.00027 091,0.00116119,-0.00023063,-0.00035951,0.00011110,0.00028489,0.0005282 6,-0.00002153,-0.00029809,0.00002828,0.00019405,0.00016599,-0.00002802 ,-0.00005711,0.00035053,-0.00030108,0.00031935,-0.00026552,0.00026499, -0.00014753,-0.00022317,0.00011345,-0.00028402,0.00016182,-0.00019287, 0.00011906,-0.00000021,0.00000750,-0.00000638,-0.00003235,0.00000744,- 0.00001876,-0.00000013,0.00001957,0.00000544,-0.00157715,-0.00082098,- 0.00200222,0.00158818,0.00131345,0.00460034,-0.18300564,-0.00263067,0. 03833842,-0.04008886,0.00980970,0.02865391,-0.00405708,0.00421015,-0.0 0752769,-0.00019212,0.00006680,0.00001509,-0.02214948,0.00016875,0.020 51555,0.00259559,-0.00121693,0.00053493,-0.00180826,0.00060896,0.00213 857,0.00087193,0.00022141,0.00080873,0.00352761,-0.00211602,-0.0026526 5,0.00376236,-0.00086039,-0.00274125,-0.00093560,0.00139413,0.00109977 ,0.33942167,-0.00000184,0.00000118,0.00000532,-0.00006005,-0.00006386, 0.00002823,-0.00000479,-0.00002823,-0.00002154,-0.00003268,-0.00001640 ,-0.00000903,0.00001053,0.00001652,0.00000175,0.00000813,0.00000402,0. 00000126,-0.00000195,0.00000188,-0.00000311,-0.00000746,-0.00000146,0. 00000317,-0.00000157,0.00000282,-0.00000549,0.00003502,0.00001246,-0.0 0000639,0.00007897,0.00007837,-0.00002746,0.00000885,0.00004244,0.0000 2443,-0.00000285,-0.00001957,-0.00000754,0.00002937,0.00001694,0.00001 813,-0.00000727,-0.00000725,-0.00000664,-0.00014802,-0.00001252,0.0000 0879,0.00008255,-0.00001537,-0.00003559,0.00012750,0.00005071,-0.00000 817,-0.00004108,-0.00001429,0.00000467,0.00000433,0.00000214,0.0000019 0,0.00000286,0.00000306,0.00000281,0.00000246,-0.00000084,-0.00000177, -0.00020774,-0.00016948,-0.00020029,-0.00056816,0.00026880,0.00001013, 0.00023513,-0.00046210,-0.00017121,0.00003130,0.00003350,-0.00001680,- 0.00003774,-0.00003713,0.00002388,0.00000386,-0.00002084,0.00002663,0. 00001388,0.00003965,-0.00001390,0.00005895,0.00002032,-0.00001547,0.00 003383,0.00001954,-0.00000212,-0.00000006,-0.00006219,0.00001843,0.000 30306,0.00026792,0.00007250,0.00054902,0.00161280,-0.00057429,-0.00012 991,0.00044917,0.00014192,0.00030726,-0.00024903,-0.00003875,-0.000008 16,0.00010708,0.00000107,-0.00002351,-0.00000340,0.00002170,-0.0000630 0,-0.00010852,-0.00011013,0.00005848,0.00007537,0.00006480,0.00005655, 0.00003953,0.00009942,-0.00004681,0.00002124,-0.00001937,-0.00000729,- 0.00000489,-0.00000905,0.00001346,0.00000517,0.00000093,-0.00001031,0. 00000224,0.00000258,-0.00046133,0.00092729,0.00019369,0.01069380,-0.00 629917,-0.01074231,0.00871168,-0.07010166,-0.01287326,0.02153178,-0.00 327893,-0.01500890,0.00247992,-0.00267870,0.00412719,-0.00007950,0.000 09666,0.00011688,-0.02221730,0.01251391,0.01661202,-0.00164754,0.00286 028,-0.00254780,0.00084173,-0.00025662,-0.00093582,-0.00033177,0.00048 241,-0.00027675,0.00129722,-0.00096504,-0.00427230,0.00246153,0.001256 44,-0.00620332,0.00197594,-0.00129497,0.00147514,0.02863879,0.10214273 ,-0.00005914,0.00007837,0.00000292,-0.00013530,-0.00006063,0.00004976, -0.00001304,-0.00004122,-0.00004267,-0.00005490,-0.00000563,-0.0000347 3,0.00002675,0.00000882,0.00001505,0.00001168,0.00000342,0.00000578,-0 .00000291,0.00000740,0.00000062,-0.00000658,-0.00000313,0.00000192,-0. 00000451,-0.00000702,-0.00000715,0.00011958,-0.00005959,-0.00001114,0. 00021017,0.00002213,0.00001545,0.00001846,0.00003684,0.00005504,-0.000 00110,-0.00001455,-0.00002250,0.00006222,0.00000557,0.00004203,-0.0000 1800,-0.00000449,-0.00001137,-0.00023208,0.00000168,0.00000967,0.00013 202,-0.00003809,-0.00005768,0.00019930,0.00003551,0.00000786,-0.000065 22,-0.00001242,0.00000303,0.00000739,0.00000319,0.00000558,0.00000442, 0.00000272,0.00000218,0.00000305,0.00000155,-0.00000356,-0.00018353,-0 .00025519,-0.00028486,-0.00106279,-0.00002346,-0.00005354,-0.00008696, -0.00009324,-0.00002192,-0.00009819,-0.00001471,0.00001520,-0.00010520 ,0.00006157,-0.00003271,0.00001801,0.00005613,-0.00000242,-0.00001435, -0.00003419,0.00006858,0.00003736,0.00001476,0.00000181,0.00001487,0.0 0000840,-0.00000772,-0.00000477,-0.00004207,0.00003111,0.00068633,-0.0 0007051,0.00043594,0.00111025,0.00013962,0.00047724,0.00010815,0.00012 682,0.00015316,-0.00026025,-0.00017965,-0.00019046,0.00014939,0.000016 64,0.00000172,-0.00009161,0.00001267,0.00000265,-0.00011697,0.00005551 ,-0.00027791,0.00008696,-0.00004569,0.00013573,0.00007801,-0.00002888, 0.00023428,-0.00004923,0.00007358,-0.00007765,0.00000271,-0.00000618,0 .00000750,0.00001012,-0.00000412,0.00000760,-0.00000199,-0.00000098,-0 .00000030,-0.00289461,0.00266824,-0.00200850,0.03428850,-0.00778633,-0 .02504262,0.08603317,-0.01575250,-0.13945980,-0.00124787,-0.00285559,0 .00202136,-0.00182435,0.00043556,-0.00036881,0.00004825,-0.00035317,0. 00022263,0.01868827,0.00079602,-0.01041891,-0.00001102,-0.00150825,0.0 0126296,0.00003328,0.00006755,0.00021073,-0.00047182,0.00123749,0.0019 5692,0.00274659,-0.00779548,-0.00928541,0.00179214,-0.00225859,-0.0018 5040,0.00057537,0.00217872,-0.00208368,0.03190745,0.14283111,0.5735702 2,-0.00004566,0.00005958,-0.00000762,-0.00013894,-0.00005334,0.0001109 2,-0.00001365,-0.00001627,-0.00000990,-0.00004695,-0.00000033,-0.00000 825,0.00002531,0.00000026,0.00000829,0.00001620,0.00000401,-0.00000050 ,-0.00000543,0.00000513,-0.00000502,-0.00000374,-0.00000423,0.00000228 ,0.00000048,-0.00000095,-0.00000598,0.00009039,-0.00006117,-0.00005580 ,0.00021866,0.00005290,-0.00007453,0.00002711,0.00001938,0.00000521,-0 .00000966,-0.00001149,-0.00000594,0.00005003,-0.00000402,0.00001695,-0 .00001447,0.00000116,-0.00000516,-0.00011909,0.00003424,0.00006288,0.0 0008181,-0.00003503,-0.00005331,0.00008628,-0.00000106,-0.00002808,-0. 00004164,-0.00000755,0.00000643,0.00000361,0.00000400,0.00000340,0.000 00201,0.00000046,0.00000449,0.00000268,-0.00000034,-0.00000336,-0.0001 5355,-0.00003897,-0.00001362,-0.00066154,0.00002858,0.00022813,0.00001 178,-0.00004394,0.00012820,-0.00005090,0.00003257,0.00005177,-0.000131 78,-0.00000718,0.00001541,-0.00004359,-0.00004170,-0.00000866,0.000006 18,0.00000279,-0.00003326,0.00002809,0.00000956,-0.00001418,0.00000797 ,-0.00000115,-0.00000717,0.00010176,-0.00001305,-0.00005779,0.00032221 ,0.00000418,0.00000632,0.00043674,-0.00002475,-0.00072921,0.00008975,0 .00010707,-0.00018014,-0.00001409,-0.00017544,0.00017349,0.00009418,-0 .00001758,-0.00008669,-0.00005121,0.00000657,0.00002468,-0.00013723,0. 00015912,-0.00003118,0.00009990,-0.00014110,0.00001828,0.00008964,-0.0 0005346,0.00002975,-0.00006674,0.00006994,-0.00003461,-0.00000136,0.00 000020,0.00000122,0.00001218,-0.00000145,0.00000632,0.00000143,-0.0000 0978,-0.00000367,0.00118609,-0.00048640,0.00035021,-0.00627657,-0.0008 3076,0.00150812,0.00782211,0.01212242,0.03934241,-0.00000358,0.0044076 9,0.00475323,-0.00019473,-0.00051946,-0.00001834,-0.00001000,0.0000838 2,-0.00003846,-0.00049181,-0.00057763,0.00039049,-0.00008533,-0.000038 45,-0.00027021,-0.00000442,0.00003469,-0.00003708,0.00006621,-0.000102 75,-0.00003005,-0.00084872,0.00185387,0.00239528,0.00049604,-0.0004584 0,-0.00074984,0.00001099,0.00140228,-0.00013703,-0.09930451,-0.0538039 2,-0.16635040,0.09469602,0.00000490,-0.00000600,-0.00000101,0.00004597 ,0.00003810,-0.00003008,0.00000329,0.00001541,0.00001234,0.00001919,0. 00000751,0.00000191,-0.00000752,-0.00000654,-0.00000068,-0.00000590,-0 .00000261,-0.00000063,0.00000170,-0.00000092,0.00000274,0.00000358,0.0 0000109,-0.00000219,0.00000080,-0.00000143,0.00000392,-0.00002494,0.00 000009,0.00001239,-0.00006702,-0.00004599,0.00002430,-0.00000682,-0.00 002412,-0.00001149,0.00000226,0.00001179,0.00000358,-0.00001717,-0.000 00805,-0.00000809,0.00000414,0.00000343,0.00000318,0.00006549,-0.00000 081,-0.00001567,-0.00003911,0.00000947,0.00002056,-0.00005281,-0.00001 725,0.00000999,0.00001968,0.00000683,-0.00000310,-0.00000181,-0.000001 38,-0.00000087,-0.00000112,-0.00000121,-0.00000192,-0.00000133,0.00000 064,0.00000106,0.00010951,0.00008644,0.00008582,0.00050311,-0.00008574 ,-0.00016362,-0.00009002,0.00021148,0.00006413,-0.00000334,-0.00002441 ,-0.00000942,0.00003544,0.00002783,-0.00000755,0.00001070,0.00002350,- 0.00000782,-0.00000384,-0.00001774,0.00000194,-0.00003170,-0.00000988, 0.00001123,-0.00001744,-0.00000856,0.00000249,-0.00004710,0.00001144,0 .00002672,-0.00025227,-0.00007175,-0.00003982,-0.00066708,-0.00038925, 0.00057761,0.00003998,-0.00023592,-0.00005329,-0.00009538,0.00019985,0 .00004079,-0.00001044,-0.00003864,0.00001843,0.00001530,0.00000048,-0. 00001446,0.00004617,0.00002754,0.00003410,-0.00003637,-0.00001761,-0.0 0001953,-0.00003880,-0.00001575,-0.00003452,0.00002885,-0.00001212,0.0 0000198,0.00000480,0.00000235,0.00000585,-0.00000807,-0.00000289,0.000 00019,0.00000430,0.00000092,-0.00000109,-0.00051704,0.00019613,-0.0004 1370,0.00034952,-0.00149842,-0.00099823,-0.00152052,-0.00170996,-0.004 23060,0.00063452,0.00104430,-0.00122037,-0.00010146,0.00025257,-0.0008 5670,-0.00007186,-0.00005800,-0.00003774,-0.00051086,0.00026066,0.0013 2235,0.00038185,-0.00097753,0.00007708,-0.00018420,0.00005329,0.000212 57,-0.00001773,0.00000021,-0.00017489,0.00067655,-0.00018493,-0.000522 57,0.00098631,-0.00063987,-0.00119896,0.00039369,0.00194597,0.00008099 ,-0.03876165,-0.04019918,-0.11427715,0.03996573,0.04375824,0.00002677, -0.00003534,-0.00000003,0.00005795,0.00002111,-0.00002599,0.00000483,0 .00001535,0.00001833,0.00002095,-0.00000004,0.00001304,-0.00001099,-0. 00000095,-0.00000607,-0.00000472,-0.00000131,-0.00000281,0.00000157,-0 .00000271,0.00000005,0.00000187,0.00000123,-0.00000067,0.00000155,0.00 000322,0.00000288,-0.00004980,0.00002972,0.00000883,-0.00009337,-0.000 00675,-0.00000116,-0.00000734,-0.00001213,-0.00002262,-0.00000029,0.00 000461,0.00000998,-0.00002410,-0.00000043,-0.00001592,0.00000678,0.000 00108,0.00000402,0.00007353,-0.00000440,-0.00000734,-0.00004298,0.0000 1421,0.00002039,-0.00006202,-0.00000603,-0.00000072,0.00002121,0.00000 328,-0.00000092,-0.00000235,-0.00000112,-0.00000196,-0.00000133,-0.000 00064,-0.00000075,-0.00000104,-0.00000060,0.00000128,0.00008215,0.0000 9996,0.00012242,0.00046903,-0.00005255,-0.00005983,0.00000384,0.000021 76,-0.00002372,0.00004689,-0.00001443,-0.00001010,0.00004959,-0.000028 14,0.00000845,-0.00000190,-0.00001866,0.00000639,0.00000183,0.00000467 ,-0.00001287,-0.00001772,-0.00000353,0.00000060,-0.00000539,-0.0000040 4,0.00000600,-0.00003052,0.00001356,0.00000982,-0.00030446,0.00001583, -0.00014811,-0.00047462,-0.00003432,0.00009169,-0.00006154,-0.00001595 ,-0.00001442,0.00011356,0.00005261,0.00002519,-0.00006575,0.00000912,0 .00001431,0.00003632,-0.00000693,-0.00000166,0.00006242,-0.00003620,0. 00012701,-0.00004287,0.00002911,-0.00005558,-0.00003518,0.00001737,-0. 00010381,0.00002115,-0.00003379,0.00003317,-0.00000098,0.00000328,-0.0 0000252,-0.00000447,0.00000246,-0.00000317,0.,0.00000169,-0.00000076,- 0.00018156,-0.00001107,-0.00029773,0.00470777,0.00113337,-0.00118657,- 0.00602979,-0.00903229,-0.02717221,-0.00128219,0.00007063,0.00253050,- 0.00063198,0.00025966,-0.00093403,0.00006454,-0.00004433,-0.00000600,- 0.00112691,0.00000080,0.00051324,0.00028762,-0.00010399,0.00019874,-0. 00025312,0.00010887,0.00032996,-0.00025759,0.00013821,0.00019129,-0.00 015571,-0.00053636,-0.00071157,-0.00028008,0.00115797,0.00168812,-0.00 052230,-0.00150693,-0.00106832,-0.11592917,-0.11299487,-0.39349156,0.1 2135355,0.12103305,0.41977889,0.00009613,-0.00012330,0.00002752,0.0003 4528,0.00015021,-0.00033821,0.00003111,0.00002063,0.00000814,0.0001124 4,0.00000071,-0.00000528,-0.00005902,0.00000295,-0.00001366,-0.0000450 7,-0.00001123,0.00000440,0.00001813,-0.00001109,0.00001829,0.00000707, 0.00001044,-0.00000594,-0.00000920,-0.00000897,0.00001747,-0.00019300, 0.00014261,0.00018174,-0.00057431,-0.00022562,0.00030617,-0.00007221,- 0.00004547,0.00002223,0.00003005,0.00003038,0.00000282,-0.00011261,0.0 0001391,-0.00002055,0.00003103,-0.00000649,0.00000766,0.00019580,-0.00 010892,-0.00019606,-0.00015556,0.00008244,0.00012382,-0.00011564,0.000 02982,0.00009839,0.00007992,0.00001428,-0.00001761,-0.00000566,-0.0000 1045,-0.00000640,-0.00000285,0.00000087,-0.00001265,-0.00000617,0.0000 0222,0.00000780,0.00053889,-0.00026888,-0.00052758,0.00180719,0.001160 41,-0.00055801,0.00020916,0.00023394,-0.00027890,-0.00000519,-0.000027 15,-0.00021944,0.00034349,0.00025578,-0.00006301,0.00039179,0.00057906 ,0.00004543,-0.00002404,-0.00004795,0.00009458,-0.00002638,-0.00002650 ,0.00006965,-0.00003303,0.00001490,0.00000633,-0.00059275,-0.00005563, 0.00032414,-0.00043471,-0.00005699,0.00051995,0.00068928,0.00095160,0. 00438417,-0.00000747,-0.00044992,0.00031921,-0.00029350,0.00041844,-0. 00021475,-0.00013172,0.00001569,0.00026720,0.00007669,-0.00001789,-0.0 0008767,0.00049708,-0.00065534,-0.00023001,-0.00029488,0.00056092,0.00 007336,-0.00030001,0.00018588,0.00017216,0.00021674,-0.00021120,0.0000 6541,0.00000611,-0.00001407,-0.00000224,-0.00003519,0.00000703,-0.0000 1883,-0.00001705,0.00003969,0.00001821,-0.00528554,0.00189622,0.002141 47,-0.00680675,0.00762600,0.00270453,-0.01475069,-0.01808720,-0.030197 45,-0.09474391,-0.04537606,-0.05078793,0.01042000,0.00768981,0.0157507 1,-0.00025175,0.00027645,0.00040732,0.00192736,0.00006489,0.00182237,- 0.00686632,-0.01364322,-0.01879139,0.00297160,-0.00109513,-0.00158141, -0.00033427,-0.00138082,-0.00214253,0.00380697,-0.00203092,-0.00045751 ,-0.00040239,-0.00130449,-0.00146575,0.00108818,0.00053888,0.00028998, 0.00211218,-0.00143104,-0.00344534,0.00355321,-0.00022264,0.00007329,0 .27800591,0.00001229,-0.00001737,0.00001471,-0.00001868,-0.00006249,-0 .00003752,0.00000245,-0.00004453,-0.00004675,-0.00002876,-0.00002466,- 0.00001635,0.00000371,0.00002548,0.00000035,0.00000068,0.00000427,0.00 000618,-0.00000002,-0.00000042,-0.00000119,-0.00000985,0.00000044,0.00 000381,-0.00000333,0.00000191,-0.00000674,0.00001669,0.00004339,0.0000 3297,0.00000530,0.00008072,0.00003454,-0.00000721,0.00005882,0.0000598 6,0.00000647,-0.00002338,-0.00001772,0.00002309,0.00002955,0.00002715, -0.00000421,-0.00001229,-0.00000917,-0.00018137,-0.00004137,-0.0000318 9,0.00008975,-0.00000692,-0.00002552,0.00016789,0.00007951,0.00001070, -0.00004363,-0.00001645,0.00000238,0.00000533,0.00000070,0.00000191,0. 00000369,0.00000440,0.00000060,0.00000229,0.00000006,-0.00000103,-0.00 026188,-0.00035773,-0.00043062,-0.00014442,0.00096940,0.00121263,0.000 40919,-0.00057375,-0.00045915,0.00005734,0.00007906,-0.00005514,0.0000 2131,-0.00005085,-0.00000958,0.00010418,-0.00002621,-0.00001879,-0.000 00105,0.00007008,0.00005902,0.00007981,0.00002546,-0.00001476,0.000057 67,0.00003926,-0.00000773,-0.00039429,-0.00014700,0.00019210,0.0005060 8,0.00038691,0.00009515,-0.00069613,0.00185390,0.00184215,-0.00013480, 0.00057683,0.00046590,0.00028670,-0.00019053,-0.00060491,-0.00005314,0 .00014919,0.00006879,-0.00002344,-0.00000745,0.00000856,-0.00006673,-0 .00036854,-0.00023981,0.00004852,0.00027546,0.00013289,0.00004147,0.00 013225,0.00022292,-0.00004373,0.00000241,-0.00001214,-0.00001964,-0.00 000915,-0.00002250,0.00001904,0.00000970,-0.00000685,-0.00001924,0.000 01175,0.00000669,0.00570959,-0.00035418,-0.00175046,0.00343431,-0.0017 5318,-0.00039400,0.00234352,0.00605426,0.00432631,-0.03881554,-0.11765 473,-0.07205528,-0.00771598,-0.01222487,-0.01948022,0.00050287,0.00069 232,0.00060458,-0.00050480,0.00358008,-0.00092546,-0.01414149,-0.01861 164,-0.03123083,-0.00178526,0.00075608,0.00172193,-0.00009683,0.000109 58,0.00026379,-0.00203654,0.00136767,-0.00060932,-0.00067355,0.0016197 2,-0.00022384,0.00035775,-0.00065250,0.00003720,-0.00081719,0.00356306 ,0.00197173,-0.00219270,-0.00275078,0.00058043,0.26255115,0.37894010,- 0.00002309,0.00003166,0.00002613,-0.00000959,-0.00004305,-0.00012748,0 .00000160,-0.00006791,-0.00008544,-0.00002098,-0.00001749,-0.00005562, 0.00000430,0.00002354,0.00001203,-0.00000779,0.00000077,0.00001575,0.0 0000474,0.00000322,0.00000946,-0.00000872,0.00000229,0.00000161,-0.000 01241,-0.00001295,-0.00000502,0.00007109,0.00001856,0.00009369,-0.0000 1628,-0.00001961,0.00019928,-0.00002220,0.00005591,0.00012283,0.000022 21,-0.00001351,-0.00003914,0.00002708,0.00002955,0.00005657,-0.0000064 9,-0.00001577,-0.00001407,-0.00027890,-0.00007491,-0.00010344,0.000126 54,-0.00000900,-0.00002133,0.00027600,0.00009905,0.00005852,-0.0000571 1,-0.00001599,-0.00000430,0.00000906,-0.00000086,0.00000391,0.00000586 ,0.00000590,-0.00000345,0.00000252,0.00000304,-0.00000045,-0.00042132, -0.00091475,-0.00114003,-0.00334149,-0.00028125,-0.00009175,0.00017993 ,-0.00080351,-0.00041941,-0.00010237,0.00002412,-0.00012600,0.00004713 ,0.00017979,-0.00004547,0.00012915,0.00022889,0.00000289,0.00000959,0. 00003810,0.00014523,0.00011958,0.00002436,0.00002346,0.00006392,0.0000 6126,-0.00001584,0.00031493,-0.00007816,0.00002922,0.00167478,0.000239 85,0.00118166,0.00091749,-0.00110541,0.00006367,-0.00016568,0.00055726 ,0.00095197,-0.00012129,-0.00034349,-0.00066896,0.00012142,0.00015990, 0.00014761,-0.00009445,0.00002370,-0.00001895,0.00000154,-0.00039691,- 0.00080414,0.00002191,0.00034953,0.00034986,-0.00000910,0.00010226,0.0 0066815,0.00002039,0.00002168,-0.00010712,0.00000713,-0.00002645,0.000 00527,0.00000590,-0.00000517,0.00000483,-0.00001698,0.00002205,0.00001 545,0.00833614,-0.00005178,-0.00196103,-0.00386639,0.00830257,0.000959 33,-0.01905603,-0.01966540,-0.03648583,-0.01906604,-0.03341393,-0.1764 2211,-0.01031755,-0.02261366,-0.03466217,0.00000430,0.00001186,0.00047 979,0.00225996,-0.00119224,0.00202050,-0.00019818,-0.00162826,0.006113 90,-0.00023346,0.00064187,0.00190839,-0.00061226,-0.00130599,-0.002142 08,-0.00035276,0.00000008,0.00024552,-0.00129209,-0.00199228,0.0007434 0,0.00050201,-0.00000833,-0.00054479,0.00047932,0.00097655,0.00410950, -0.00186247,0.00029780,-0.00047241,-0.03931693,-0.02240983,0.34623814, -0.00009146,0.00011728,-0.00002075,-0.00028108,-0.00012298,0.00027269, -0.00002321,-0.00001936,-0.00002460,-0.00008351,0.00000609,-0.00000718 ,0.00004645,-0.00000677,0.00001492,0.00003567,0.00000715,0.00000092,-0 .00001336,0.00001013,-0.00001198,-0.00000361,-0.00000755,0.00000350,0. 00000509,0.00000378,-0.00001362,0.00017067,-0.00012859,-0.00014275,0.0 0052234,0.00015945,-0.00025218,0.00005334,0.00003426,0.00000288,-0.000 01751,-0.00002064,-0.00001055,0.00008782,-0.00001336,0.00002385,-0.000 02422,0.00000442,-0.00000670,-0.00014180,0.00007835,0.00013440,0.00011 238,-0.00006022,-0.00008820,0.00008638,-0.00002986,-0.00006289,-0.0000 5806,-0.00000899,0.00001107,0.00000436,0.00000725,0.00000492,0.0000020 2,-0.00000074,0.00000861,0.00000426,-0.00000123,-0.00000557,-0.0003831 9,0.00041428,0.00069009,-0.00073000,-0.00000623,0.00083881,-0.00019382 ,0.00010618,0.00048379,-0.00004382,0.00004756,0.00017703,-0.00029687,- 0.00020297,0.00005308,-0.00042611,-0.00024650,-0.00018355,0.00002177,- 0.00001017,-0.00014931,0.00002267,0.00001628,-0.00005019,0.00000820,-0 .00002653,-0.00001512,0.00021988,-0.00002267,-0.00013989,0.00008893,-0 .00006781,-0.00047979,-0.00153099,0.00027350,-0.00086031,0.00034302,0. 00058487,-0.00097893,0.00059592,-0.00068884,0.00044220,0.00013650,-0.0 0005887,-0.00021358,-0.00007358,0.00001132,0.00005878,-0.00038963,0.00 065858,-0.00012798,0.00023953,-0.00052345,0.00001296,0.00023067,-0.000 20549,0.00003309,-0.00014080,0.00015718,-0.00009493,0.00001216,0.00000 023,0.00001529,0.00001869,-0.00001180,0.00001994,0.00001755,-0.0000330 1,-0.00000561,-0.00011941,-0.00070834,0.00057535,0.00101752,-0.0008882 6,-0.00153043,-0.00081099,-0.00134909,0.00236988,-0.01073918,-0.014304 47,0.00401365,0.00258825,0.00242965,0.00090397,-0.00006149,-0.00009685 ,-0.00024023,-0.00017209,0.00094312,-0.00103397,0.00033405,0.00067246, -0.00191129,-0.00015955,0.00010088,0.00010278,-0.00000478,0.00013964,0 .00030096,-0.00082447,0.00057052,0.00024869,0.00029363,0.00084835,0.00 044541,-0.00023569,-0.00024103,-0.00005777,0.00006214,0.00088992,-0.00 034299,-0.00052016,-0.00102646,0.00030708,-0.17761709,-0.20480933,0.08 708145,0.18888425,0.00000670,-0.00000701,-0.00000213,0.00006917,0.0000 7548,-0.00005237,0.00000213,0.00002635,0.00003058,0.00003603,0.0000156 2,0.00000196,-0.00001141,-0.00001418,-0.00000093,-0.00000987,-0.000004 83,-0.00000301,0.00000506,-0.00000187,0.00000522,0.00000633,0.00000131 ,-0.00000340,-0.00000264,-0.00000597,0.00000968,-0.00003881,-0.0000030 8,0.00002327,-0.00011460,-0.00014342,0.00006743,-0.00000762,-0.0000462 8,-0.00002621,0.00000250,0.00002057,0.00000806,-0.00003040,-0.00001469 ,-0.00001477,0.00000639,0.00000546,0.00000565,0.00011650,-0.00000062,- 0.00002315,-0.00006793,0.00001756,0.00003346,-0.00009529,-0.00003378,0 .00001645,0.00003351,0.00001076,-0.00000436,-0.00000339,-0.00000231,-0 .00000186,-0.00000212,-0.00000183,-0.00000271,-0.00000224,0.00000050,0 .00000187,0.00043219,0.00020344,0.00014452,0.00201708,0.00028616,-0.00 086940,-0.00025283,0.00102903,0.00062929,-0.00012723,-0.00008282,-0.00 005433,0.00002462,0.00019092,-0.00000555,0.00010301,0.00034519,-0.0000 1067,0.00000300,-0.00012732,-0.00012628,-0.00007282,-0.00002764,0.0000 4304,-0.00007631,-0.00003637,0.00000014,-0.00032647,-0.00000233,0.0002 0178,-0.00080798,-0.00023534,-0.00000346,-0.00020123,0.00066251,0.0029 2627,0.00051860,-0.00074825,-0.00102325,-0.00028230,-0.00002705,0.0012 1524,0.00007126,-0.00013892,-0.00000209,0.00001473,-0.00001989,-0.0000 3523,0.00020761,-0.00007441,0.00003200,-0.00010789,0.00004871,-0.00004 486,-0.00012525,-0.00000013,-0.00006891,0.00008386,-0.00007090,0.00002 959,0.00000655,-0.00000091,0.00000538,-0.00001866,0.00000143,-0.000006 04,0.00000084,0.00000738,0.00000275,-0.00139141,-0.00038495,-0.0000566 8,-0.00013068,-0.00047816,0.00061856,0.00129184,0.00297110,0.00019766, -0.01601442,-0.02331128,0.00705306,-0.00147121,-0.00102702,0.00133685, 0.00004929,0.00014896,-0.00006963,-0.00041317,-0.00006390,0.00025720,- 0.00180774,-0.00140269,-0.00507218,0.00040630,-0.00041907,-0.00034094, 0.00010582,0.00006152,0.00011247,0.00069395,-0.00024380,0.00004977,0.0 0010370,0.00005212,-0.00030705,0.00007898,-0.00000779,0.00007750,0.000 52838,-0.00075802,0.00039935,-0.00068319,0.00079501,-0.00022622,-0.199 34753,-0.24519024,0.09674458,0.21660679,0.26798681,0.00006805,-0.00009 251,-0.00000656,0.00013512,0.00005794,-0.00001730,0.00001054,0.0000549 9,0.00006842,0.00003802,0.00000007,0.00003579,-0.00002423,-0.00000085, -0.00001413,-0.00000748,-0.00000331,-0.00001193,0.00000105,-0.00000500 ,-0.00000187,0.00000418,0.00000184,-0.00000356,0.00001072,0.00001482,0 .00000874,-0.00013756,0.00006287,-0.00000581,-0.00020131,0.00001310,-0 .00009930,-0.00000407,-0.00004149,-0.00008552,-0.00001071,0.00001262,0 .00002942,-0.00004682,-0.00000776,-0.00004224,0.00001264,0.00000648,0. 00000976,0.00019005,0.00000045,-0.00000141,-0.00010335,0.00003039,0.00 004636,-0.00016723,-0.00001468,-0.00000807,0.00004718,0.00000877,-0.00 000143,-0.00000600,-0.00000227,-0.00000385,-0.00000328,-0.00000206,-0. 00000110,-0.00000313,-0.00000157,0.00000229,0.00041173,0.00080997,0.00 084108,0.00473827,0.00060391,0.00062903,0.00014487,0.00040260,-0.00032 401,0.00024578,-0.00006036,0.00003353,0.00012594,-0.00016848,0.0000569 4,-0.00003937,-0.00019839,0.00012710,-0.00002271,0.00000168,-0.0000023 1,-0.00011526,-0.00001469,-0.00001247,-0.00003549,-0.00003296,0.000030 44,-0.00101742,0.00005334,0.00042620,-0.00176130,0.00023037,-0.0012359 9,-0.00246974,0.00053064,0.00110254,-0.00037484,-0.00065008,0.00004355 ,0.00026954,0.00129567,-0.00027364,-0.00029025,0.00000087,0.00003248,0 .00012127,-0.00003602,-0.00000807,0.00009257,0.00005982,0.00058475,-0. 00007682,-0.00007774,-0.00022402,-0.00004949,-0.00001513,-0.00049324,0 .00001508,-0.00005700,0.00006669,-0.00000495,0.00001825,-0.00000780,-0 .00000935,0.00000863,-0.00000514,0.00000168,-0.00000204,-0.00000716,-0 .00017976,0.00063925,-0.00025583,-0.00062635,0.00001712,0.00001434,-0. 00092647,-0.00190326,0.00093879,-0.02579537,-0.03087086,0.00749663,-0. 00103444,-0.00414012,0.00054934,0.00016406,0.00025845,0.00030454,-0.00 009104,0.00097036,-0.00036772,-0.00187163,-0.00318273,-0.00407804,0.00 016341,0.00034390,-0.00013191,0.00000303,-0.00004245,-0.00008348,0.000 40362,0.00001036,-0.00000487,0.00017175,0.00043277,-0.00028517,0.00007 008,-0.00006141,0.00006965,0.00071434,0.00012040,-0.00068620,0.0001090 5,0.00029059,0.00013831,0.11943241,0.13838235,-0.10887574,-0.09074845, -0.10404341,0.10404110,-0.00013554,0.00014988,0.00005792,-0.00065645,- 0.00051714,0.00020186,-0.00008458,-0.00023898,-0.00014719,-0.00037580, -0.00014447,-0.00019668,0.00013832,0.00019479,0.00006292,0.00007705,0. 00003040,0.00000926,-0.00001361,0.00004163,-0.00000644,-0.00007882,-0. 00001851,0.00001811,-0.00000834,0.00001743,-0.00002894,0.00054051,-0.0 0004505,-0.00001096,0.00071130,0.00052984,-0.00006502,0.00011743,0.000 28235,0.00022835,-0.00003712,-0.00011931,-0.00008522,0.00038737,0.0000 9834,0.00024551,-0.00011409,-0.00004169,-0.00007178,-0.00262754,-0.000 04960,0.00018974,0.00142873,-0.00040798,-0.00065405,0.00233748,0.00080 977,-0.00025685,-0.00061934,-0.00016679,0.00007378,0.00008246,0.000045 72,0.00003813,0.00005565,0.00003349,0.00003235,0.00005558,0.00000887,- 0.00002902,-0.00137594,-0.00086777,-0.00161720,0.00962076,-0.00241012, -0.00745250,-0.00069742,-0.00168301,0.00153932,0.00022382,-0.00112753, -0.00064454,-0.00027773,0.00009618,0.00022261,0.00036100,0.00038598,0. 00039432,0.00006325,0.00022439,-0.00005265,0.00003938,0.00029417,0.000 09036,0.00018455,0.00011427,-0.00000474,-0.00191113,-0.00424034,0.0021 9662,-0.00064038,0.00300758,0.00235703,-0.00971036,-0.00553557,0.00339 488,-0.00059160,0.00233399,0.00117887,0.00054174,-0.00000201,-0.000173 80,0.00024968,0.00148080,0.00015158,-0.00040599,-0.00014858,0.00023381 ,-0.00012618,-0.00117320,-0.00168713,0.00041815,0.00067743,0.00120534, 0.00037736,0.00031225,0.00137069,-0.00046564,0.00045480,-0.00059029,0. 00001209,-0.00002472,0.00005603,0.00009385,0.00001559,0.00007242,-0.00 011348,0.00007917,-0.00006499,-0.09819640,0.01208240,0.02616784,-0.004 50449,0.00419344,0.00136607,0.00004149,0.00100437,0.00080505,-0.004377 35,-0.00031794,-0.00139035,0.02480473,-0.00004189,-0.00472651,-0.01360 171,0.00416217,0.01601712,0.00004195,-0.00040757,-0.00008946,-0.000157 75,-0.00007893,0.00032382,-0.00134178,0.00005615,-0.00286958,-0.000063 24,-0.00024352,-0.00000486,-0.02101165,0.01174794,0.00688526,0.0018951 5,-0.00025072,-0.00206983,0.00003091,-0.00003855,0.00072988,-0.0001136 1,-0.00068233,-0.00114860,-0.00001363,0.00005284,0.00012287,0.00004125 ,-0.00234287,-0.00391655,0.00072069,0.00029722,-0.00006351,0.95319110, -0.00020131,0.00025349,-0.00003409,-0.00047314,-0.00013063,0.00037346, -0.00004628,-0.00003505,-0.00003103,-0.00012115,0.00002665,-0.00001120 ,0.00008369,-0.00003309,0.00002738,0.00005030,0.00001082,0.00000221,-0 .00001880,0.00001470,-0.00001744,-0.00000054,-0.00001314,0.00000793,0. 00000004,-0.00001485,-0.00002067,0.00034346,-0.00027137,-0.00020229,0. 00071789,0.00010354,-0.00016555,0.00008146,0.00002035,0.00000600,-0.00 002366,-0.00001483,-0.00001422,0.00013800,-0.00004179,0.00003341,-0.00 003995,0.00001605,-0.00000611,-0.00031275,0.00018345,0.00028690,0.0002 2411,-0.00014609,-0.00018850,0.00022090,-0.00009670,-0.00015845,-0.000 09006,-0.00000485,0.00002238,0.00000923,0.00001579,0.00000970,0.000003 83,-0.00000535,0.00001368,0.00001264,0.00000239,-0.00001022,-0.0005586 2,-0.00062860,-0.00048172,-0.00437095,-0.00130686,-0.00029677,0.000088 39,-0.00052001,0.00001889,-0.00024713,0.00017116,0.00019557,-0.0004161 4,0.00010862,0.00000597,0.00000242,0.00003649,0.00000925,0.00000844,-0 .00003578,0.00003118,0.00014697,0.00003260,-0.00002372,0.00004466,0.00 001610,-0.00002814,-0.00184306,-0.00234032,-0.00106954,0.00181059,-0.0 0006428,0.00093970,0.00334896,0.00285676,0.00113459,0.00023462,0.00052 574,0.00000342,-0.00001057,-0.00048506,0.00001620,0.00044216,-0.000087 13,-0.00030175,-0.00021829,0.00007742,0.00011848,-0.00042103,0.0006277 2,-0.00023193,0.00033405,-0.00050757,0.00010118,0.00026829,-0.00022732 ,0.00026064,-0.00020005,0.00029656,-0.00012138,0.00001253,-0.00000601, 0.00002269,0.00003453,-0.00002306,0.00002925,0.00001524,-0.00003448,-0 .00002369,0.01538085,-0.10613309,-0.02518489,0.00099452,-0.00306028,0. 00229810,0.00055873,-0.00057445,-0.00010129,-0.00093755,-0.00065908,-0 .00124130,0.00625375,-0.00898848,-0.01580381,-0.01485086,0.01520852,0. 01968210,-0.00002105,0.00005765,-0.00001777,0.00041025,0.00037498,-0.0 0038104,0.00005961,0.00038884,0.00084669,0.00012598,0.00020703,-0.0002 0125,0.02024633,-0.01325372,-0.01242957,-0.00312770,0.00099188,-0.0006 3109,0.00031159,-0.00007388,-0.00023357,-0.00083252,0.00044980,0.00038 746,0.00021637,-0.00014939,-0.00013929,0.00021191,0.00080334,0.0005903 3,0.00005255,-0.00009352,-0.00023538,-0.05957598,0.32396154,-0.0002466 7,0.00029323,-0.00003376,-0.00079677,-0.00030587,0.00062261,-0.0000753 3,-0.00008895,-0.00005084,-0.00024703,-0.00000432,-0.00002828,0.000140 24,0.00000775,0.00003253,0.00008961,0.00002558,-0.00000063,-0.00003095 ,0.00002069,-0.00003688,-0.00002420,-0.00002390,0.00001839,0.00000333, -0.00000282,-0.00003298,0.00051030,-0.00032534,-0.00033095,0.00111276, 0.00033123,-0.00032822,0.00013865,0.00009409,0.00002010,-0.00004586,-0 .00005381,-0.00002614,0.00025956,-0.00002670,0.00007524,-0.00007357,0. 00001219,-0.00001883,-0.00093014,0.00025279,0.00051511,0.00059547,-0.0 0028038,-0.00041902,0.00074314,0.00010456,-0.00041093,-0.00024308,-0.0 0005143,0.00006041,0.00002736,0.00003318,0.00001611,0.00001657,0.00000 052,0.00003121,0.00003277,-0.00000019,-0.00001961,-0.00115947,-0.00097 746,-0.00114168,-0.00344717,-0.00058387,-0.00011648,-0.00003394,-0.001 00585,0.00110414,-0.00029758,0.00011993,0.00024565,-0.00061748,0.00009 712,0.00013184,0.00006495,0.00010389,0.00009531,0.00000295,0.00018545, -0.00009415,0.00022151,0.00009780,-0.00004409,0.00010512,0.00006276,-0 .00006808,-0.00038919,-0.00153160,0.00128226,0.00210024,0.00062029,0.0 0099371,0.00273824,0.00423749,0.00090333,0.00030485,0.00134731,-0.0001 4083,0.00005988,-0.00078419,0.00010656,0.00051060,0.00021512,-0.000664 65,-0.00029744,-0.00000250,0.00026670,-0.00054418,0.00021629,-0.000697 92,0.00055556,-0.00027543,0.00043279,0.00043719,-0.00011104,0.00063662 ,-0.00039246,0.00042867,-0.00027296,0.00000355,-0.00002131,0.00001194, 0.00007943,-0.00000232,0.00005119,-0.00003599,-0.00001894,-0.00002470, 0.04438394,-0.03423556,-0.12715506,0.00230132,0.00608910,-0.00638993,0 .00024506,-0.00071211,-0.00061022,-0.00254155,-0.00155885,-0.00230371, 0.01133833,-0.01066495,-0.02067961,0.01202721,-0.00418045,-0.01030951, -0.00005227,0.00001955,-0.00003873,-0.00006232,0.00032243,0.00009550,- 0.00041587,0.00002056,-0.00026899,-0.00230551,0.00105766,0.00181007,-0 .02160947,0.01003558,0.01623245,-0.00234785,-0.00234926,0.00025029,0.0 0021943,0.00002543,-0.00040669,-0.00111206,0.00058374,0.00093861,0.000 20794,-0.00024513,-0.00015290,0.00021591,0.00036761,0.00060006,0.00025 277,-0.00031143,-0.00046840,0.08792366,0.15082045,0.50272261,0.0000826 5,-0.00009809,-0.00001766,0.00035947,0.00024584,-0.00015438,0.00004431 ,0.00011006,0.00006483,0.00018810,0.00006113,0.00008816,-0.00007403,-0 .00008429,-0.00003278,-0.00004231,-0.00001538,-0.00000296,0.00000851,- 0.00002116,0.00000524,0.00003588,0.00001092,-0.00000856,0.00000344,-0. 00000666,0.00001546,-0.00027809,0.00005462,0.00003988,-0.00043517,-0.0 0025241,0.00006577,-0.00006630,-0.00012846,-0.00009687,0.00002228,0.00 005632,0.00003858,-0.00019532,-0.00003818,-0.00011388,0.00005777,0.000 01637,0.00003332,0.00119738,0.00000837,-0.00011550,-0.00066482,0.00019 409,0.00031175,-0.00106131,-0.00035345,0.00012455,0.00029342,0.0000766 4,-0.00003614,-0.00003777,-0.00002197,-0.00001892,-0.00002551,-0.00001 492,-0.00001662,-0.00002507,-0.00000378,0.00001455,0.00067669,0.000391 13,0.00074177,-0.00201213,0.00071158,0.00177104,0.00015956,0.00066222, -0.00045883,-0.00005340,0.00036212,0.00020219,0.00019030,-0.00003856,- 0.00009608,-0.00012348,-0.00013766,-0.00014627,-0.00002380,-0.00009039 ,0.00002560,-0.00004795,-0.00011744,-0.00002359,-0.00007987,-0.0000485 3,0.00001071,0.00018544,0.00097518,-0.00080249,-0.00019904,-0.00118871 ,-0.00089783,0.00180832,0.00036811,-0.00100997,0.00013695,-0.00088530, -0.00031475,-0.00017161,0.00017843,0.00003049,-0.00013054,-0.00058404, -0.00001029,0.00019477,0.00007562,-0.00010085,0.00014569,0.00041550,0. 00072271,-0.00023127,-0.00019550,-0.00051336,-0.00020737,-0.00010528,- 0.00058449,0.00023298,-0.00023348,0.00025650,-0.00000349,0.00000995,-0 .00002372,-0.00004687,-0.00000504,-0.00003317,0.00004224,-0.00002705,0 .00002460,0.00909509,0.00884439,0.00753387,-0.00115779,-0.00181410,-0. 00038776,-0.00012134,-0.00010134,-0.00016888,0.00041927,0.00019877,0.0 0044707,-0.00400126,0.00006978,0.00189569,-0.00032341,-0.00146724,-0.0 0107234,0.00005158,0.00013461,0.00008164,0.00002495,-0.00000880,-0.000 09098,0.00026402,0.00006698,0.00077954,0.00026040,-0.00009170,-0.00017 329,0.00326341,-0.00091512,0.00007327,0.00064318,0.00108536,0.00107815 ,-0.00005180,0.00009239,-0.00020459,0.00048142,0.00008732,0.00016072,- 0.00009306,0.00006737,-0.00002512,0.00036584,0.00017797,0.00050106,-0. 00027839,0.00006872,0.00013724,-0.12937808,-0.03542599,-0.07259364,0.4 5003046,0.00013038,-0.00016560,0.00001494,0.00036594,0.00014828,-0.000 24927,0.00003905,0.00005236,0.00003465,0.00012790,0.00000724,0.0000337 2,-0.00006896,-0.00001262,-0.00002490,-0.00004039,-0.00001083,-0.00000 155,0.00001276,-0.00001471,0.00001102,0.00001259,0.00001059,-0.0000071 1,-0.00000022,0.00000454,0.00001590,-0.00026924,0.00016221,0.00012027, -0.00051389,-0.00014732,0.00011591,-0.00006580,-0.00005141,-0.00003130 ,0.00002090,0.00002594,0.00001906,-0.00013887,0.00001058,-0.00005429,0 .00004066,-0.00000411,0.00001405,0.00058545,-0.00010448,-0.00019608,-0 .00035253,0.00015261,0.00021067,-0.00048814,-0.00006738,0.00013233,0.0 0014771,0.00002748,-0.00002455,-0.00001837,-0.00001648,-0.00001204,-0. 00001096,-0.00000134,-0.00001253,-0.00001579,-0.00000342,0.00001085,0. 00051199,0.00037589,0.00048976,0.00101033,0.00021591,0.00040843,0.0000 0998,0.00043229,-0.00019084,0.00009101,0.00003455,-0.00002307,0.000276 20,-0.00005854,-0.00004910,-0.00003625,-0.00005106,-0.00005371,-0.0000 1139,-0.00003730,0.00001113,-0.00008093,-0.00005463,0.00000766,-0.0000 4902,-0.00002346,0.00001894,-0.00011112,0.00039082,-0.00019276,-0.0009 1758,-0.00040785,-0.00062435,-0.00104175,-0.00108566,0.00024999,-0.000 07939,-0.00050144,-0.00004236,-0.00002942,0.00029674,-0.00002806,-0.00 024019,-0.00016347,0.00013415,0.00017666,-0.00000742,-0.00008378,0.000 26857,-0.00012519,0.00035650,-0.00026472,0.00017590,-0.00023136,-0.000 20647,0.00006602,-0.00031445,0.00019701,-0.00024513,0.00015176,-0.0000 0526,0.00000701,-0.00001728,-0.00003638,0.00000930,-0.00002660,0.00000 993,0.00000807,0.00002247,-0.00835689,0.00574157,-0.02250169,-0.001670 00,-0.00034386,0.00021499,-0.00040391,0.00042290,0.00003299,-0.0019769 3,-0.00037765,0.00028706,0.00516945,0.00170268,-0.00120094,0.00152555, -0.00244469,-0.00312486,0.00005314,-0.00000982,0.00004321,-0.00008173, 0.00002836,0.00008476,0.00002205,0.00005411,0.00030624,0.00027077,-0.0 0009267,-0.00008247,-0.00017381,0.00224700,0.00217815,0.00124355,0.000 61451,0.00041792,-0.00019171,-0.00004008,-0.00002676,0.00071892,-0.000 22124,-0.00015898,-0.00021564,0.00012789,0.00007025,0.00062312,-0.0009 1083,-0.00115519,-0.00005776,0.00026545,0.00018267,-0.01325334,-0.1118 8114,-0.11508767,0.06254605,0.14374145,0.00018890,-0.00022879,0.000019 69,0.00064824,0.00028407,-0.00046697,0.00006515,0.00009339,0.00005253, 0.00022489,0.00002217,0.00004680,-0.00011885,-0.00003243,-0.00003259,- 0.00007381,-0.00002184,0.,0.00002308,-0.00002114,0.00002589,0.00002749 ,0.00001925,-0.00001487,-0.00000123,-0.00000046,0.00002687,-0.00043116 ,0.00023407,0.00023490,-0.00088563,-0.00030845,0.00024408,-0.00011471, -0.00010361,-0.00004200,0.00003837,0.00005405,0.00002895,-0.00023578,0 .00000581,-0.00008617,0.00006775,-0.00000289,0.00002312,0.00102239,-0. 00016476,-0.00037938,-0.00061742,0.00025286,0.00038352,-0.00085303,-0. 00019171,0.00031332,0.00025813,0.00006015,-0.00005310,-0.00003079,-0.0 0002973,-0.00001652,-0.00001935,-0.00000545,-0.00002651,-0.00003038,-0 .00000089,0.00001782,0.00101628,0.00070099,0.00094656,0.00136016,0.000 12983,0.00082137,0.00001424,0.00088743,-0.00082619,0.00016479,0.000048 03,-0.00008453,0.00047886,-0.00007075,-0.00012334,-0.00008443,-0.00010 610,-0.00011653,-0.00001296,-0.00014333,0.00007623,-0.00016044,-0.0001 0485,0.00002203,-0.00009562,-0.00005442,0.00004688,0.00007710,0.001397 09,-0.00073805,-0.00144959,-0.00090904,-0.00097647,-0.00145880,-0.0020 0397,0.00025463,-0.00013836,-0.00112783,0.00002390,-0.00009656,0.00057 410,-0.00010089,-0.00038081,-0.00034754,0.00042252,0.00026327,0.000023 51,-0.00021130,0.00041758,-0.00002826,0.00068408,-0.00043970,0.0001430 4,-0.00044800,-0.00036039,0.00004502,-0.00059604,0.00033723,-0.0003617 9,0.00026607,-0.00000566,0.00001520,-0.00001963,-0.00006711,0.00000104 ,-0.00004713,0.00003720,0.00000413,0.00002683,-0.01947379,-0.01876707, -0.02411683,-0.00183181,-0.00158717,0.00066866,-0.00075686,0.00056318, 0.00001515,-0.00314730,-0.00038149,0.00046302,0.00834199,0.00099988,-0 .00080443,-0.00114138,-0.00018016,0.00071218,0.00008443,-0.00001357,0. 00006939,0.00001609,0.00001663,-0.00001757,0.00014892,0.00011329,0.000 58407,0.00071218,-0.00033651,-0.00032830,0.00503640,-0.00060885,0.0017 0139,0.00148824,0.00084231,0.00060474,-0.00029093,-0.00010057,-0.00007 566,0.00118185,-0.00037570,-0.00014070,-0.00037237,0.00024971,0.000104 80,0.00120214,-0.00145461,-0.00190632,-0.00019175,0.00051992,0.0003629 8,-0.03438515,-0.11822097,-0.25424937,0.15767587,0.16159907,0.36281315 ,0.00009960,-0.00006790,-0.00007361,0.00055958,0.00051442,-0.00010825, 0.00007796,0.00023787,0.00013776,0.00036396,0.00016329,0.00021243,-0.0 0012485,-0.00022945,-0.00005912,-0.00006707,-0.00002830,-0.00000808,0. 00000865,-0.00004251,0.00000038,0.00008512,0.00001586,-0.00001521,0.00 000729,-0.00002599,0.00002328,-0.00046709,-0.00003744,-0.00004323,-0.0 0053673,-0.00055295,0.00000680,-0.00010135,-0.00028484,-0.00023279,0.0 0003386,0.00011745,0.00008356,-0.00037378,-0.00011272,-0.00025343,0.00 011083,0.00004676,0.00007390,0.00286294,0.00008328,-0.00011944,-0.0015 5505,0.00043714,0.00068753,-0.00266720,-0.00100136,0.00037794,0.000651 05,0.00018299,-0.00007803,-0.00009157,-0.00004822,-0.00003993,-0.00006 113,-0.00003696,-0.00003095,-0.00006106,-0.00001151,0.00002947,0.00123 026,0.00052099,0.00142319,-0.00787070,0.00026255,0.00508853,0.00048662 ,0.00128280,-0.00116668,-0.00033545,0.00106891,0.00072490,0.00014323,- 0.00000160,-0.00018384,-0.00031442,-0.00033742,-0.00036035,-0.00004957 ,-0.00022131,0.00006544,-0.00001423,-0.00028954,-0.00010566,-0.0001556 0,-0.00009994,-0.00000557,0.00014683,0.00071486,-0.00272359,0.00081277 ,-0.00315520,-0.00197154,0.00750973,0.00354697,-0.00261427,0.00054046, -0.00183822,-0.00085728,-0.00044875,0.00003253,0.00010564,0.00000512,- 0.00170828,-0.00019061,0.00035114,0.00029095,-0.00022745,0.00002891,0. 00132177,0.00162061,-0.00030958,-0.00070684,-0.00130166,-0.00031854,-0 .00037281,-0.00126470,0.00044153,-0.00044765,0.00056934,-0.00001692,0. 00001537,-0.00007896,-0.00008058,-0.00000706,-0.00006439,0.00009050,-0 .00009555,0.00008396,-0.03681069,0.00605503,-0.00158383,0.00244186,-0. 00018073,-0.00455829,-0.00046217,-0.00104297,-0.00094319,0.00024655,-0 .00057089,-0.00054779,-0.00587431,-0.00446882,-0.00337146,-0.00043018, 0.00237880,0.00171801,0.00001800,0.00034269,0.00010059,0.00026141,0.00 018680,-0.00036025,0.00049354,0.00044257,0.00183096,-0.00087382,0.0004 8938,0.00077674,-0.00672082,0.00481967,0.00801081,-0.00117478,0.000424 49,0.00156061,0.00005543,-0.00006521,-0.00070266,0.00027307,0.00064120 ,0.00127397,-0.00013780,-0.00001638,-0.00011179,0.00106719,0.00101933, 0.00168210,-0.00062398,0.00001511,0.00014866,-0.67333137,0.07638299,-0 .04571276,-0.06923682,-0.02855550,-0.06564570,0.79182531,0.00024437,-0 .00033077,0.00004625,0.00045069,0.00008141,-0.00036075,0.00004547,0.00 001878,0.00004216,0.00007706,-0.00005919,0.00001201,-0.00007741,0.0000 7091,-0.00003461,-0.00004518,-0.00000422,-0.00000754,0.00001628,-0.000 01821,0.00000783,-0.00001609,0.00001029,-0.00000415,0.00000368,0.00003 052,0.00001891,-0.00038232,0.00033915,0.00019419,-0.00075884,-0.000016 40,0.00011644,-0.00007260,0.00001428,-0.00001252,0.00001390,-0.0000040 7,0.00001588,-0.00010624,0.00006541,-0.00002338,0.00003167,-0.00002183 ,0.00000056,0.00000822,-0.00021163,-0.00023616,-0.00006520,0.00011117, 0.00010590,0.00003911,0.00025914,0.00006703,0.00001801,-0.00002210,-0. 00000407,-0.00000128,-0.00001010,-0.00000786,0.00000274,0.00001100,-0. 00000760,-0.00000447,-0.00000345,0.00000755,0.00064235,0.00072237,0.00 069083,-0.00148974,-0.00470778,0.00526102,0.00033875,0.00110711,-0.001 76503,0.00046180,-0.00008221,-0.00015178,0.00046958,-0.00024490,0.0000 1078,-0.00005864,-0.00010670,-0.00003933,-0.00001172,-0.00003125,-0.00 001375,-0.00018500,-0.00003647,0.00002306,-0.00005666,-0.00002139,0.00 003055,-0.00081886,-0.00517221,-0.00404246,-0.00143502,-0.00013553,-0. 00154904,0.00035173,0.00046143,-0.00119392,-0.00022761,-0.00168173,-0. 00049287,-0.00016172,0.00034468,0.00004566,-0.00067676,0.00019740,0.00 024426,0.00025829,-0.00018157,-0.00006032,0.00053631,-0.00140948,0.000 07467,-0.00028421,0.00101861,0.00005539,-0.00028881,0.00047716,-0.0001 9618,0.00012507,-0.00035189,0.00004749,-0.00003575,0.00000755,-0.00005 223,-0.00001335,0.00006306,-0.00002574,-0.00009497,0.00007683,0.000017 93,0.02025157,0.01803538,-0.00585226,-0.00016051,0.00019826,-0.0000421 3,-0.00024832,0.00023393,0.00010960,-0.00002565,0.00028360,0.00059417, -0.00013889,0.00007239,0.00306663,0.00385050,-0.00285748,-0.00373775,- 0.00000534,0.00003470,-0.00000714,0.00003189,-0.00010768,0.00002118,0. 00014032,-0.00044530,-0.00048728,0.00015212,-0.00010109,-0.00000081,0. 00136706,-0.00022440,0.00064997,0.00087259,-0.00024062,0.00018323,-0.0 0017525,-0.00003484,0.00004977,0.00044378,-0.00016431,-0.00022865,-0.0 0011869,0.00006020,0.00007864,0.00008455,-0.00023323,-0.00039900,-0.00 012171,0.00008823,0.00026290,0.07064614,-0.08679302,-0.00545635,-0.032 40300,0.01131113,-0.00857071,-0.05828663,0.06728353,0.00009958,-0.0001 0525,0.00003197,0.00033498,0.00008584,-0.00035604,0.00002024,0.0000013 7,0.00000054,0.00007156,-0.00002282,-0.00003998,-0.00005135,0.00003642 ,0.00000530,-0.00003815,-0.00001133,0.00000309,0.00001780,0.00000246,0 .00002786,0.00000141,0.00001051,-0.00000950,-0.00000792,-0.00000218,0. 00001497,-0.00014819,0.00015960,0.00021403,-0.00048336,-0.00014062,0.0 0024026,-0.00005689,-0.00000775,0.00004211,0.00002036,0.00001416,-0.00 000335,-0.00006830,0.00002876,0.00001642,0.00001639,-0.00001454,-0.000 00490,-0.00012163,-0.00015338,-0.00027670,0.00000745,0.00005816,0.0000 8569,0.00014229,0.00010227,0.00022912,-0.00000581,-0.00000508,-0.00002 207,0.00000578,-0.00000818,0.00000096,0.00000489,0.00000728,-0.0000123 4,-0.00000520,0.00000467,0.00000493,0.00067027,0.00013157,0.00091717,0 .00066823,-0.00010612,-0.00153315,0.00002907,0.00020217,-0.00036359,0. 00016018,-0.00023198,-0.00039346,0.00021717,-0.00010366,-0.00021223,-0 .00005119,-0.00003618,-0.00007593,0.00001573,-0.00012438,0.00006986,-0 .00008045,0.00000427,0.00007184,-0.00007336,-0.00006078,0.00007592,-0. 00039234,-0.00125285,-0.00010283,-0.00107899,-0.00134158,-0.00037903,- 0.00123663,-0.00089976,0.00147016,-0.00016627,-0.00034303,0.00020617,0 .00000753,0.00028048,-0.00006329,-0.00017962,0.00022432,0.00055354,0.0 0004022,-0.00002216,-0.00013504,0.00029406,0.00010227,0.00030435,-0.00 035826,-0.00002140,-0.00013407,-0.00018164,0.00000115,-0.00022807,0.00 017893,-0.00014878,0.00009982,0.00000901,0.00001425,0.00002466,-0.0000 4648,-0.00001590,-0.00002772,0.00004305,0.00001092,-0.00001524,0.01475 087,-0.00655881,0.01425217,-0.00120885,-0.00173869,0.00188145,-0.00003 418,0.00040374,-0.00016442,0.00010972,-0.00024382,0.00155263,0.0004237 4,0.00222750,-0.00113133,0.00030478,0.00070102,-0.00034138,0.00003247, -0.00004633,0.00004645,-0.00001866,-0.00000373,-0.00000250,0.00133042, -0.00090157,0.00095667,0.00067443,-0.00025489,-0.00046946,0.00721453,- 0.00239604,-0.00371009,0.00066338,0.00075386,0.00007750,-0.00012654,-0 .00001693,0.00000743,0.00068493,-0.00034708,-0.00027228,-0.00014228,0. 00015151,0.00007439,0.00012179,-0.00044404,-0.00049635,-0.00006665,0.0 0021595,0.00010572,-0.06160474,-0.00405268,-0.09716284,-0.07340377,-0. 00677019,-0.01536688,0.11187264,0.02746756,0.10208883,-0.00007156,0.00 009217,0.00000670,-0.00026826,-0.00016080,0.00013110,-0.00003236,-0.00 007134,-0.00004181,-0.00012780,-0.00003346,-0.00005615,0.00005455,0.00 004545,0.00002431,0.00003091,0.00001007,0.00000122,-0.00000735,0.00001 447,-0.00000462,-0.00002262,-0.00000926,0.00000653,-0.00000327,0.00000 093,-0.00001159,0.00020710,-0.00006435,-0.00004330,0.00035533,0.000149 97,-0.00005714,0.00005005,0.00008103,0.00006000,-0.00001713,-0.0000367 1,-0.00002516,0.00013523,0.00001924,0.00007420,-0.00004044,-0.00000911 ,-0.00002177,-0.00072393,0.00000919,0.00008757,0.00040953,-0.00012111, -0.00019730,0.00062503,0.00018580,-0.00005248,-0.00018993,-0.00004631, 0.00002321,0.00002289,0.00001381,0.00001255,0.00001553,0.00000898,0.00 001159,0.00001446,0.00000169,-0.00001004,-0.00040193,-0.00032595,-0.00 039934,-0.00013737,-0.00024677,-0.00085340,-0.00002727,-0.00044792,0.0 0020184,-0.00001244,-0.00015469,-0.00009443,-0.00018310,0.00002855,0.0 0003445,0.00004402,0.00005806,0.00005731,0.00001886,0.00002382,-0.0000 0932,0.00005748,0.00006761,0.00000847,0.00004499,0.00002229,-0.0000038 5,-0.00014436,-0.00054062,0.00025832,0.00050859,0.00044839,0.00056957, 0.00008966,0.00063651,0.00024749,-0.00001814,0.00055840,0.00013776,0.0 0008546,-0.00022573,0.00000573,0.00014420,0.00029327,-0.00000028,-0.00 014556,-0.00002659,0.00005952,-0.00015068,-0.00010395,-0.00039839,0.00 016691,0.00002664,0.00027458,0.00015607,0.00001936,0.00033809,-0.00014 784,0.00014526,-0.00014981,0.00000025,-0.00000519,0.00001142,0.0000297 2,0.00000364,0.00001802,-0.00002073,0.00000904,-0.00001290,0.00546413, -0.00055941,0.00350340,0.00199850,0.00197482,0.00011752,0.00024885,-0. 00017535,0.00003855,0.00131714,0.00012374,-0.00012507,-0.00259759,0.00 009391,0.00025035,0.00081973,0.00104096,0.00087860,-0.00006979,-0.0000 7008,-0.00008130,0.00001224,-0.00001157,0.00003858,-0.00011330,-0.0001 2572,-0.00034409,-0.00041552,0.00010630,0.00025104,-0.00403671,-0.0015 7510,-0.00192509,-0.00094412,-0.00119777,-0.00091633,0.00006662,-0.000 10425,0.00018301,-0.00062636,0.00003776,-0.00002223,0.00015538,-0.0001 0794,-0.00000160,-0.00066902,0.00052884,0.00059906,0.00016461,-0.00021 270,-0.00016948,-0.02490501,-0.01258164,-0.02470235,-0.18197925,-0.002 12414,-0.01617109,0.01396333,0.00183208,0.00603413,0.42616270,-0.00004 581,0.00006184,-0.00000561,-0.00009476,-0.00002797,0.00005798,-0.00001 089,-0.00001266,-0.00001099,-0.00003173,0.00000250,-0.00001131,0.00001 923,-0.00000207,0.00000894,0.00000942,0.00000208,0.00000092,-0.0000031 8,0.00000439,-0.00000146,-0.00000183,-0.00000314,0.00000171,-0.0000002 1,-0.00000421,-0.00000449,0.00008207,-0.00005912,-0.00002696,0.0001418 5,0.00001701,-0.00001532,0.00001696,0.00000782,0.00001114,-0.00000468, -0.00000372,-0.00000606,0.00003714,-0.00000719,0.00001557,-0.00001135, 0.00000260,-0.00000376,-0.00013580,0.00003511,0.00004608,0.00008320,-0 .00004106,-0.00004992,0.00010968,-0.00000472,-0.00001530,-0.00003604,- 0.00000303,0.00000465,0.00000445,0.00000379,0.00000402,0.00000239,-0.0 0000047,0.00000211,0.00000321,0.00000214,-0.00000304,-0.00009944,-0.00 009810,-0.00009427,-0.00022437,0.00007394,-0.00033223,-0.00004720,-0.0 0009691,0.00000005,-0.00004018,-0.00001467,0.00000470,-0.00007821,0.00 003029,-0.00000798,0.00000683,0.00001396,0.00000559,0.00000050,-0.0000 2084,0.00002010,0.00001574,0.00000991,-0.00000096,0.00000843,0.0000010 9,-0.00000069,-0.00002454,-0.00004643,0.00010449,0.00020667,-0.0000042 6,0.00018757,0.00008891,0.00003164,0.00009687,0.00002766,0.00011983,0. 00007357,0.00000152,-0.00004580,-0.00002668,0.00008965,0.00000696,0.00 000285,-0.00005948,0.00001813,0.00000741,-0.00007930,0.00011734,-0.000 06427,0.00006120,-0.00010022,0.00003916,0.00005161,-0.00004334,0.00006 407,-0.00003982,0.00006308,-0.00003110,0.00000288,-0.00000082,0.000006 88,0.00000654,-0.00000464,0.00000540,0.00000406,-0.00000564,-0.0000049 5,0.00042960,-0.00055846,-0.00136362,0.00144526,0.00088934,-0.00060800 ,-0.00008280,-0.00024946,-0.00008000,0.00018670,0.00012560,-0.00009373 ,-0.00037338,-0.00006285,0.00028219,0.00015346,-0.00000881,0.00046976, -0.00002982,-0.00003955,-0.00003362,0.00001125,-0.00002246,0.00001779, 0.00001954,0.00001791,0.00005953,-0.00002797,-0.00012034,0.00002826,-0 .00284753,-0.00431774,-0.00290057,-0.00000046,-0.00073219,-0.00042901, -0.00011780,-0.00022641,0.00005744,-0.00015744,0.00001235,0.00020295,0 .00000451,0.00000052,-0.00000403,-0.00005091,0.00009910,0.00021796,0.0 0000080,-0.00004376,-0.00005232,-0.01852242,-0.01322684,-0.00043581,0. 00425817,-0.06086227,-0.00690964,0.00256887,0.00600793,-0.00394453,-0. 02137811,0.61953009,-0.00003190,0.00004198,-0.00000399,-0.00012294,-0. 00005531,0.00008782,-0.00001317,-0.00001865,-0.00000739,-0.00004509,-0 .00000595,-0.00000858,0.00002300,0.00000752,0.00000670,0.00001442,0.00 000448,-0.00000102,-0.00000444,0.00000375,-0.00000533,-0.00000647,-0.0 0000459,0.00000348,-0.00000006,0.00000038,-0.00000508,0.00008102,-0.00 004140,-0.00004369,0.00016910,0.00005759,-0.00004843,0.00002294,0.0000 2159,0.00000606,-0.00000845,-0.00001166,-0.00000454,0.00004698,0.00000 021,0.00001684,-0.00001382,0.00000006,-0.00000488,-0.00020632,0.000029 77,0.00007352,0.00012473,-0.00004777,-0.00007632,0.00016872,0.00003651 ,-0.00004409,-0.00005649,-0.00001284,0.00001140,0.00000627,0.00000580, 0.00000343,0.00000417,0.00000158,0.00000556,0.00000579,-0.00000006,-0. 00000377,-0.00015084,-0.00012657,-0.00012681,-0.00054036,-0.00006510,0 .00000086,0.00002605,-0.00013299,0.00008755,-0.00002645,-0.00000206,0. 00001310,-0.00009637,0.00000840,0.00001764,0.00000327,0.00000674,0.000 00946,0.00000413,0.00001288,-0.00001344,0.00003072,0.00001867,-0.00000 375,0.00001463,0.00000651,-0.00000576,-0.00001369,-0.00015529,-0.00000 520,0.00032679,0.00009877,0.00014864,0.00052947,0.00054332,-0.00009618 ,0.00003725,0.00015662,-0.00003614,-0.00000041,-0.00012344,0.00003232, 0.00007034,0.00005869,-0.00006062,-0.00005081,-0.00000482,0.00003481,- 0.00007540,-0.00000654,-0.00010212,0.00007724,-0.00001183,0.00006874,0 .00006542,-0.00000159,0.00009132,-0.00006035,0.00005081,-0.00004054,-0 .00000183,-0.00000324,-0.00000139,0.00001317,0.00000377,0.00000604,-0. 00000978,-0.00000056,-0.00000227,0.00090871,-0.00098247,-0.00176994,-0 .00000824,-0.00075311,0.00014877,0.00012738,-0.00010659,-0.00007755,0. 00039514,0.00001552,-0.00011529,-0.00133543,-0.00017800,0.00015648,-0. 00030983,-0.00057521,-0.00120655,0.00001798,0.00005722,0.00003085,0.00 001269,0.00001729,-0.00006438,-0.00005796,-0.00003504,-0.00007830,-0.0 0015456,0.00026232,0.00008118,-0.00209079,-0.00164619,-0.00418254,-0.0 0024081,0.00062200,0.00012375,0.00007911,0.00009722,-0.00001517,-0.000 15935,0.00018221,0.00008123,0.00008143,-0.00005058,-0.00004459,-0.0001 1439,0.00030137,0.00038916,0.00000399,-0.00009302,-0.00006206,-0.02952 875,0.00178117,-0.01124913,0.00074829,-0.01023536,-0.07450463,-0.00068 135,-0.00422896,0.00057331,-0.04839330,0.00425129,0.62054159,0.0000074 0,-0.00000815,-0.00000005,0.00003850,0.00002134,-0.00002628,0.00000398 ,0.00000706,0.00000319,0.00001541,0.00000361,0.00000421,-0.00000677,-0 .00000530,-0.00000205,-0.00000462,-0.00000153,0.00000012,0.00000140,-0 .00000135,0.00000165,0.00000264,0.00000125,-0.00000093,-0.00000011,-0. 00000098,0.00000139,-0.00002423,0.00000797,0.00001259,-0.00004859,-0.0 0002499,0.00001545,-0.00000688,-0.00000868,-0.00000359,0.00000248,0.00 000423,0.00000205,-0.00001565,-0.00000147,-0.00000673,0.00000447,0.000 00051,0.00000185,0.00009057,-0.00000567,-0.00002286,-0.00005194,0.0000 1804,0.00002920,-0.00007860,-0.00002775,0.00002326,0.00002131,0.000005 98,-0.00000418,-0.00000277,-0.00000225,-0.00000106,-0.00000182,-0.0000 0098,-0.00000201,-0.00000258,0.00000004,0.00000114,0.00007146,0.000044 00,0.00006801,-0.00004240,0.00002324,0.00011542,0.00000377,0.00007024, -0.00009287,0.00000286,0.00001368,0.00000379,0.00002523,-0.00000178,-0 .00001214,-0.00000871,-0.00000961,-0.00001119,-0.00000122,-0.00001901, 0.00001058,-0.00000934,-0.00000963,-0.00000046,-0.00000704,-0.00000468 ,0.00000315,0.00000813,0.00012100,-0.00008643,-0.00005734,-0.00009084, -0.00006559,0.00000876,-0.00005081,0.00000470,-0.00000166,-0.00008554, 0.00000650,-0.00000951,0.00003193,-0.00001151,-0.00001472,-0.00004440, 0.00003106,0.00001381,0.00000743,-0.00001721,0.00001907,0.00002197,0.0 0005512,-0.00002534,-0.00000688,-0.00004034,-0.00002201,-0.00000462,-0 .00004634,0.00002289,-0.00002274,0.00002130,-0.00000050,0.00000072,-0. 00000193,-0.00000464,-0.00000032,-0.00000337,0.00000322,-0.00000137,0. 00000234,-0.00039286,0.00038747,-0.00050655,0.00027275,-0.00020600,0.0 0022727,-0.00008447,0.00006023,-0.00002196,-0.00011396,-0.00004592,0.0 0002349,0.00030268,0.00006497,-0.00004871,-0.00000409,-0.00023685,-0.0 0021563,0.00000245,-0.00000278,0.00000324,-0.00000259,-0.00000244,0.00 000014,0.00001649,0.00001995,0.00007946,0.00002622,0.00006750,-0.00003 423,-0.00003546,-0.00021555,0.00043083,-0.00001347,0.00011928,-0.00002 678,-0.00003250,-0.00001780,0.00000200,0.00005149,-0.00000941,0.000017 15,-0.00002190,0.00001125,0.00000963,0.00004722,-0.00005781,-0.0000812 3,-0.00001166,0.00002365,0.00001647,0.00213910,0.00702389,0.00481921,- 0.02737590,0.02234365,-0.02332676,-0.00333913,-0.00242057,-0.00103664, -0.06741851,0.06014207,-0.03121883,0.08471934,-0.00000243,0.00000296,- 0.00000020,-0.00001317,-0.00000528,0.00001012,-0.00000126,-0.00000182, -0.00000038,-0.00000421,-0.00000044,-0.00000010,0.00000262,0.00000033, 0.00000016,0.00000155,0.00000055,-0.00000015,-0.00000035,0.00000014,-0 .00000077,-0.00000077,-0.00000062,0.00000053,-0.00000012,0.00000007,-0 .00000052,0.00000714,-0.00000352,-0.00000557,0.00001802,0.00000512,-0. 00000484,0.00000244,0.00000221,0.,-0.00000097,-0.00000136,-0.00000031, 0.00000421,0.00000029,0.00000102,-0.00000127,-0.00000013,-0.00000032,- 0.00001377,0.00000290,0.00000938,0.00000942,-0.00000316,-0.00000745,0. 00001043,0.00000327,-0.00000716,-0.00000482,-0.00000152,0.00000169,0.0 0000033,0.00000047,0.,0.00000033,0.00000022,0.00000076,0.00000061,-0.0 0000037,-0.00000026,-0.00001062,-0.00001007,-0.00000814,-0.00005120,-0 .00000181,0.00000211,-0.00000207,-0.00000475,-0.00000617,-0.00000548,0 .00000166,0.00000722,-0.00000953,0.00000054,-0.00000070,0.00000034,0.0 0000059,0.00000048,-0.00000236,-0.00000165,0.00000321,0.00000226,0.000 00122,-0.00000081,0.00000084,0.00000043,-0.00000065,-0.00000638,0.0000 0547,-0.00000955,0.00002718,0.00000513,0.00001219,0.00004639,0.0000354 6,0.00000026,0.00000600,0.00000935,0.00000280,-0.00000194,-0.00000767, -0.00000314,0.00000934,0.00000030,-0.00000959,-0.00000450,-0.00000006, 0.00000491,-0.00000554,-0.00000635,-0.00000933,0.00000543,0.00000517,0 .00000483,0.00000532,0.00000220,0.00000787,-0.00000403,-0.00000028,-0. 00000277,-0.00000050,-0.00000057,-0.00000102,0.00000117,0.00000116,0.0 0000031,-0.00000182,0.00000010,0.00000071,0.00009035,-0.00015178,0.000 26611,-0.00000989,0.00002489,-0.00007060,0.00005242,-0.00002125,-0.000 01837,0.00001532,-0.00000107,-0.00000452,-0.00000921,-0.00004584,-0.00 002192,0.00001431,0.00003051,-0.00002539,-0.00000403,-0.00000166,0.000 00088,0.00000254,-0.00000203,-0.00000527,-0.00000823,0.00000642,0.0000 0737,0.00003875,-0.00001657,0.00000858,-0.00067568,-0.00140372,-0.0022 0646,-0.00010592,-0.00000320,0.00001456,-0.00000133,-0.00000209,-0.000 00310,-0.00002369,-0.00000009,-0.00001069,0.00001038,-0.00000495,-0.00 000699,-0.00000440,0.00001417,0.00002059,0.00000064,-0.00000492,-0.000 00473,-0.00020824,0.00127631,-0.00094203,-0.00106423,0.00996047,-0.004 64813,-0.00065894,-0.00064657,0.00021520,0.06797647,-0.25700437,0.1119 3101,-0.07184841,0.26821515,-0.00000898,0.00001185,-0.00000331,-0.0000 2156,-0.00000021,0.00002390,-0.00000172,0.00000217,0.00000167,-0.00000 178,0.00000404,0.00000330,0.00000342,-0.00000505,0.00000029,0.00000230 ,0.00000036,-0.00000027,-0.00000101,0.00000004,-0.00000137,0.00000106, -0.00000081,0.00000043,0.00000026,-0.00000090,-0.00000072,0.00001219,- 0.00001592,-0.00001518,0.00003579,-0.00000075,-0.00001163,0.00000368,- 0.00000373,-0.00000504,-0.00000115,0.00000100,0.00000097,0.00000240,-0 .00000438,-0.00000258,-0.00000065,0.00000181,0.00000100,0.00002057,0.0 0001379,0.00001978,-0.00000714,-0.00000352,-0.00000400,-0.00002304,-0. 00001625,-0.00001142,0.00000390,0.00000181,0.00000115,-0.00000073,0.00 000046,-0.00000029,-0.00000059,-0.00000075,0.00000074,0.00000025,-0.00 000030,-0.00000016,-0.00001525,-0.00001527,-0.00000557,-0.00023913,0.0 0003839,0.00008874,-0.00000246,0.00000654,-0.00000208,-0.00002084,0.00 002329,0.00002921,-0.00002163,0.00000577,-0.00000148,-0.00000439,-0.00 000303,-0.00000414,-0.00000462,-0.00000596,0.00000399,0.00000573,-0.00 000239,-0.00000314,-0.00000038,-0.00000075,-0.00000232,0.00001001,0.00 002729,-0.00002488,0.00010110,-0.00003626,0.00000616,0.00018831,0.0000 0524,-0.00007881,0.00002658,-0.00001139,-0.00001939,-0.00001998,-0.000 01643,0.00000033,0.00002350,-0.00002878,-0.00002999,-0.00000612,0.0000 0557,0.00000647,-0.00002216,0.00004775,0.00001069,0.00001419,-0.000036 42,-0.00001113,0.00001018,-0.00001624,-0.00000593,-0.00000602,0.000010 29,0.00000061,0.00000063,0.00000009,0.00000037,0.00000101,-0.00000134, 0.00000102,0.00000197,-0.00000312,-0.00000048,-0.00138993,0.00093324,- 0.00062354,0.00092799,-0.00039021,-0.00091788,-0.00013828,-0.00012133, -0.00005020,-0.00013946,0.00003102,-0.00012365,0.00016263,-0.00032621, 0.00010953,0.00004960,0.00004844,0.00038064,0.00000676,0.00000797,0.00 000892,0.00000285,-0.00000175,0.00000368,0.00006516,0.00007232,0.00011 114,0.00002740,-0.00011437,-0.00002811,0.00064017,-0.00019539,0.000992 42,-0.00016502,-0.00032429,0.00038666,0.00004296,-0.00000595,-0.000036 57,-0.00000502,0.00007111,0.00021513,-0.00002140,0.00000985,-0.0000103 8,0.00011801,0.00000198,0.00009301,-0.00003634,-0.00000319,-0.00000642 ,0.00001611,0.00232490,0.00156769,-0.00729288,0.00213306,-0.00348125,- 0.00080956,-0.00069320,-0.00056298,-0.03306658,0.10704379,-0.11031949, 0.04173183,-0.11661458,0.11078534,0.00000459,-0.00000577,-0.00000119,0 .00002000,0.00001433,-0.00000731,0.00000283,0.00000611,0.00000312,0.00 001081,0.00000380,0.00000563,-0.00000417,-0.00000545,-0.00000222,-0.00 000236,-0.00000078,-0.00000008,0.00000047,-0.00000135,0.00000009,0.000 00229,0.00000087,-0.00000057,0.00000020,-0.00000043,0.00000072,-0.0000 1699,0.00000293,0.00000127,-0.00002322,-0.00001412,0.00000258,-0.00000 396,-0.00000697,-0.00000542,0.00000145,0.00000295,0.00000213,-0.000011 52,-0.00000205,-0.00000688,0.00000349,0.00000092,0.00000192,0.00008186 ,0.00000051,-0.00000727,-0.00004461,0.00001345,0.00002091,-0.00007334, -0.00002362,0.00000602,0.00001938,0.00000486,-0.00000242,-0.00000262,- 0.00000150,-0.00000123,-0.00000181,-0.00000097,-0.00000107,-0.00000180 ,-0.00000036,0.00000090,0.00003202,0.00001992,0.00003389,-0.00017652,0 .00007550,0.00017622,0.00001357,0.00003587,-0.00002696,-0.00000663,0.0 0003011,0.00001844,0.00001018,-0.00000268,-0.00000500,-0.00000717,-0.0 0000742,-0.00000866,-0.00000145,-0.00000298,0.00000121,-0.00000069,-0. 00000817,-0.00000311,-0.00000416,-0.00000210,-0.00000041,0.00003283,0. 00007184,-0.00003180,0.00000442,-0.00006922,-0.00005780,0.00022281,0.0 0022003,0.00003514,0.00001177,-0.00004410,-0.00002056,-0.00000584,0.00 000039,-0.00000079,-0.00000726,-0.00004194,-0.00000762,0.00001253,0.00 000526,-0.00000577,0.00000712,0.00001968,0.00003849,-0.00001216,-0.000 00688,-0.00003110,-0.00001141,-0.00000451,-0.00003168,0.00001394,-0.00 001625,0.00001605,-0.00000077,-0.00000006,-0.00000270,-0.00000250,0.00 000044,-0.00000213,0.00000151,-0.00000166,0.00000256,-0.00059053,-0.00 071460,-0.00018199,0.00079777,0.00005867,-0.00061357,-0.00004435,-0.00 006589,0.00006178,-0.00002325,-0.00009393,-0.00001821,0.00018038,0.000 03797,-0.00042194,0.00018252,-0.00020780,-0.00101412,-0.00002229,-0.00 002575,-0.00004322,0.00001692,0.00000536,-0.00000198,0.00000806,0.0000 0707,0.00007868,-0.00001481,-0.00001471,0.00003425,0.00025090,0.000416 46,0.00017270,-0.00045031,-0.00008987,0.00035775,-0.00013582,-0.000046 02,0.00004968,-0.00003810,-0.00001835,0.00001329,-0.00001012,-0.000008 64,0.00001462,-0.00000939,0.00000477,-0.00002812,0.00000481,0.00000614 ,0.00000075,0.00283638,0.00220070,0.00760437,-0.03284136,-0.00690468,0 .01994035,-0.00154228,0.00003184,-0.00195640,-0.11988513,-0.02120160,0 .11274433,0.00803304,0.00083351,-0.00767434,0.13873521,-0.00001232,0.0 0001616,-0.00000369,-0.00002788,-0.00000254,0.00002821,-0.00000255,0.0 0000132,0.00000077,-0.00000459,0.00000398,0.00000166,0.00000452,-0.000 00446,0.00000134,0.00000302,0.00000042,-0.00000015,-0.00000129,0.00000 070,-0.00000119,0.00000095,-0.00000084,0.00000019,0.00000033,-0.000001 09,-0.00000092,0.00001780,-0.00002001,-0.00001667,0.00004647,0.0000013 8,-0.00001499,0.00000512,-0.00000312,-0.00000394,-0.00000164,0.0000008 2,0.00000033,0.00000583,-0.00000497,-0.00000078,-0.00000171,0.00000200 ,0.00000053,0.00000879,0.00001452,0.00001898,-0.00000017,-0.00000610,- 0.00000605,-0.00001285,-0.00001495,-0.00000911,0.00000038,0.00000150,0 .00000071,-0.00000025,0.00000067,0.00000027,-0.00000034,-0.00000069,0. 00000076,0.00000021,-0.00000001,-0.00000038,-0.00002961,-0.00002241,-0 .00001712,-0.00033488,0.00005120,0.00013797,0.00000904,-0.00000116,0.0 0002368,-0.00002296,0.00002874,0.00002727,-0.00002896,0.00000732,0.000 00151,-0.00000552,-0.00000344,-0.00000424,-0.00000165,0.00000125,-0.00 000223,0.00000901,-0.00000191,-0.00000357,0.00000036,-0.00000032,-0.00 000312,0.00002223,0.00001602,-0.00002142,0.00013593,-0.00003734,0.0000 0934,0.00033376,0.00017486,-0.00008230,0.00003514,-0.00000363,-0.00003 907,-0.00002328,-0.00003244,0.00001265,0.00002668,-0.00002749,-0.00003 407,-0.00000902,0.00000541,0.00000611,-0.00003233,0.00006578,0.0000071 8,0.00002206,-0.00005350,-0.00000803,0.00001601,-0.00002308,-0.0000022 2,-0.00001148,0.00002051,-0.00000341,0.00000096,0.00000060,0.00000193, 0.00000161,-0.00000255,0.00000183,0.00000336,-0.00000391,-0.00000177,- 0.00127722,0.00016912,-0.00086615,-0.00048943,-0.00180076,-0.00036327, -0.00000398,-0.00006590,-0.00013663,-0.00013228,0.00003777,-0.00012266 ,-0.00006290,-0.00017997,-0.00005912,-0.00021286,0.00012724,-0.0003276 0,0.00004278,0.00006654,0.00006558,-0.00001677,0.00001720,-0.00003405, 0.00005194,0.00004320,0.00007679,0.00003292,0.00005845,-0.00004270,0.0 0086802,-0.00059531,0.00011740,-0.00022852,0.00010596,0.00051696,0.000 27907,0.00034677,-0.00016702,0.00005085,0.00014313,0.00019693,0.000012 61,0.00002389,-0.00004509,0.00015080,0.00002418,0.00014974,-0.00004740 ,-0.00000696,-0.00001212,-0.00013921,0.00154458,0.00256352,-0.00259673 ,-0.00088132,-0.00079846,-0.00076549,-0.00027602,-0.00071739,-0.019369 24,-0.05848609,0.03329808,-0.01403455,-0.00217062,0.02353401,0.0237670 3,0.05486239,-0.00000237,0.00000353,0.00000022,0.00000153,0.00000087,- 0.00000443,-0.00000014,-0.00000085,-0.00000158,-0.00000091,0.00000005, -0.00000226,0.00000008,0.00000038,0.00000102,-0.00000033,-0.00000023,0 .00000037,0.00000019,0.00000061,0.00000081,0.00000030,0.00000043,-0.00 000051,-0.00000018,-0.00000057,-0.00000003,0.00000240,-0.00000199,0.00 000369,0.00000035,-0.00000352,0.00000368,0.00000007,0.00000027,0.00000 267,0.00000005,0.00000017,-0.00000098,0.00000154,-0.00000008,0.0000019 6,-0.00000059,-0.00000011,-0.00000055,-0.00000196,-0.00000252,-0.00000 802,0.00000062,0.00000102,0.00000308,0.00000126,-0.00000200,0.00000997 ,-0.00000139,0.00000038,-0.00000129,0.00000015,-0.00000020,0.00000050, 0.00000008,0.00000003,-0.00000047,-0.00000055,0.00000034,-0.00000007,0 .00000265,-0.00000006,0.00000243,-0.00004711,0.00002809,0.00002071,-0. 00000173,0.00000146,-0.00001352,-0.00000088,-0.00000066,-0.00000424,-0 .00000050,0.00000226,-0.00000279,-0.00000108,-0.00000051,-0.00000176,0 .00000154,-0.00000324,0.00000204,-0.00000036,-0.00000080,0.00000008,-0 .00000049,-0.00000067,0.00000078,0.00001124,0.00000117,-0.00000612,0.0 0000142,-0.00001552,0.00000078,0.00002912,0.00009500,-0.00000665,0.000 00222,-0.00000075,0.00000583,0.00000090,-0.00000171,-0.00000247,0.0000 0251,-0.00000455,0.00001236,-0.00000274,0.00000217,-0.00000550,-0.0000 0376,0.00001612,0.00000150,0.00000062,-0.00001245,-0.00000194,0.000000 64,-0.00000551,-0.00000089,0.00000035,0.00000341,-0.00000026,0.0000001 8,0.00000041,0.00000091,-0.00000053,-0.00000086,-0.00000007,0.00000163 ,-0.00000057,-0.00000054,-0.00044979,-0.00123595,0.00060678,-0.0006077 8,-0.00038674,0.00046765,0.00007928,0.00002236,-0.00006030,0.00001831, -0.00004077,0.00003799,-0.00001617,0.00019414,-0.00009074,-0.00031155, -0.00001592,-0.00065262,0.00000726,0.00001956,0.00002813,-0.00000767,0 .00001180,-0.00002032,-0.00000699,-0.00001517,-0.00000645,0.00005143,0 .00006643,-0.00005376,-0.00091302,-0.00163852,-0.00115983,0.00035518,- 0.00007574,-0.00074345,0.00002431,0.00002391,-0.00008347,-0.00000240,0 .00000052,-0.00003511,0.00001608,0.00000830,-0.00000714,-0.00000299,0. 00000876,-0.00000195,0.00000252,0.00000051,-0.00000200,0.00005997,-0.0 0063756,0.00218709,-0.00874139,-0.00279623,0.01243547,-0.00048806,0.00 029437,-0.00050237,0.12262533,0.03681022,-0.25938103,0.00689633,-0.000 23760,-0.01043444,-0.12684758,-0.03516208,0.27101035,0.00000509,-0.000 00523,0.00000016,0.00002006,0.00001113,-0.00001275,0.00000225,0.000003 88,0.00000229,0.00000757,0.00000172,0.00000170,-0.00000364,-0.00000240 ,-0.00000072,-0.00000240,-0.00000099,-0.00000021,0.00000061,-0.0000005 2,0.00000095,0.00000104,0.00000042,-0.00000060,-0.00000019,-0.00000041 ,0.00000087,-0.00001392,0.00000527,0.00000615,-0.00002274,-0.00001399, 0.00000640,-0.00000352,-0.00000446,-0.00000219,0.00000099,0.00000202,0 .00000106,-0.00000751,-0.00000053,-0.00000308,0.00000204,0.00000007,0. 00000074,0.00005126,-0.00000599,-0.00001504,-0.00002874,0.00001225,0.0 0001706,-0.00004502,-0.00001216,0.00001645,0.00000983,0.00000267,-0.00 000225,-0.00000154,-0.00000138,-0.00000058,-0.00000088,-0.00000025,-0. 00000089,-0.00000170,-0.00000030,0.00000060,0.00003942,0.00002259,0.00 004006,-0.00012615,0.00006750,0.00012896,0.00000525,0.00004234,-0.0000 3343,-0.00000337,0.00001674,0.00000886,0.00001050,-0.00000094,-0.00000 699,-0.00000803,-0.00000776,-0.00000925,-0.00000198,-0.00000726,0.0000 0370,-0.00000323,-0.00000636,-0.00000097,-0.00000479,-0.00000295,0.000 00125,0.00002465,0.00007034,-0.00004207,-0.00000965,-0.00007666,-0.000 05386,0.00012551,0.00000315,-0.00001762,0.00001020,-0.00005371,-0.0000 1524,-0.00001468,0.00001004,-0.00000153,-0.00000780,-0.00003106,0.0000 0737,0.00000926,0.00000299,-0.00000940,0.00000719,0.00002356,0.0000369 9,-0.00001412,-0.00001089,-0.00002571,-0.00001073,-0.00000558,-0.00003 014,0.00001380,-0.00001474,0.00001303,-0.00000051,0.00000092,-0.000001 09,-0.00000280,-0.00000012,-0.00000222,0.00000277,-0.00000119,0.000001 56,-0.00109552,0.00073004,-0.00069839,0.00032237,-0.00044502,-0.000313 90,-0.00010048,-0.00001243,-0.00003242,-0.00018055,-0.00001653,-0.0000 4202,0.00024850,-0.00003027,-0.00012948,0.00006238,-0.00010261,-0.0002 2182,0.00001083,0.00001077,0.00001130,-0.00000199,0.00000220,-0.000004 95,0.00003843,0.00002646,0.00008870,0.00003730,0.00000512,-0.00002213, 0.00082520,0.00094606,0.00123528,-0.00013869,0.00004657,0.00033949,0.0 0004895,0.00007155,-0.00003454,0.00005001,0.00004170,0.00010954,-0.000 02025,0.00001247,-0.00000487,0.00010137,-0.00004255,-0.00001151,-0.000 02531,0.00001652,0.00000760,-0.00211805,-0.00099340,0.00410875,-0.0216 2814,-0.03135928,-0.03130193,-0.00291503,0.00010261,-0.00224932,-0.045 35452,-0.00424815,-0.00066459,0.00300575,0.00560257,0.00685107,0.00422 507,0.01392968,0.00821339,0.06434548,0.00001022,-0.00001330,0.00000198 ,0.00003238,0.00001032,-0.00002614,0.00000300,0.00000268,0.00000091,0. 00000897,-0.00000071,0.00000006,-0.00000590,0.00000126,-0.00000121,-0. 00000350,-0.00000092,0.00000035,0.00000138,-0.00000055,0.00000175,0.00 000095,0.00000148,-0.00000108,-0.00000008,0.00000039,0.00000138,-0.000 02073,0.00001473,0.00001461,-0.00004646,-0.00001012,0.00001241,-0.0000 0557,-0.00000251,0.00000066,0.00000195,0.00000183,0.00000054,-0.000009 62,0.00000170,-0.00000197,0.00000280,-0.00000071,0.00000048,0.00002870 ,-0.00001216,-0.00002352,-0.00001984,0.00001054,0.00001677,-0.00002115 ,0.00000014,0.00001626,0.00000845,0.00000166,-0.00000300,-0.00000076,- 0.00000122,-0.00000039,-0.00000048,0.00000005,-0.00000143,-0.00000129, 0.00000021,0.00000076,0.00003492,0.00002835,0.00002826,0.00012561,0.00 000195,0.00001328,0.00000557,0.00002201,-0.00000972,0.00001465,-0.0000 0549,-0.00001540,0.00002570,-0.00000492,-0.00000141,-0.00000069,-0.000 00219,-0.00000136,0.00000202,0.00000242,-0.00000226,-0.00000666,-0.000 00261,0.00000196,-0.00000280,-0.00000106,0.00000191,0.00000645,0.00001 355,-0.00000814,-0.00008622,-0.00001117,-0.00003808,-0.00008579,-0.000 03065,0.00002003,-0.00001446,-0.00002711,0.00000079,0.00000629,0.00002 211,0.00000084,-0.00002479,0.00000152,0.00002286,0.00001290,-0.0000024 2,-0.00000980,0.00002116,-0.00001427,0.00001807,-0.00001863,0.00001316 ,-0.00001005,-0.00001574,0.00000548,-0.00001706,0.00001246,-0.00001203 ,0.00000746,-0.00000009,0.00000080,0.00000013,-0.00000278,-0.00000017, -0.00000141,0.00000108,0.00000114,0.00000030,0.00029050,-0.00028703,0. 00044945,-0.00064951,-0.00007433,0.00025390,0.00008815,0.00006287,0.00 002192,0.00002697,-0.00000712,0.00007732,-0.00001514,0.00010573,-0.000 11980,-0.00002876,0.00009462,-0.00010896,0.00000027,-0.00000059,0.0000 0277,-0.00000394,0.00000296,-0.00000315,-0.00001851,-0.00002589,-0.000 02916,-0.00000026,0.00002067,-0.00000533,0.00002362,-0.00066121,-0.001 24638,0.00011910,0.00019279,-0.00006878,-0.00001512,0.00001482,0.00001 616,0.00003301,-0.00004541,-0.00012334,0.00000668,0.00000335,0.0000033 0,-0.00003026,-0.00002820,-0.00007217,0.00001005,0.00001165,0.00001331 ,0.00156639,0.00082112,0.00212270,-0.00308455,0.00253085,-0.00108357,- 0.00047224,-0.00003746,-0.00008331,-0.01400398,-0.23079400,-0.13414726 ,-0.00121956,-0.01807320,-0.01745481,0.00169386,0.00668665,0.00466162, 0.01562977,0.23948417,0.00001084,-0.00001433,0.00000136,0.00002311,0.0 0000786,-0.00001494,0.00000258,0.00000313,0.00000286,0.00000816,-0.000 00024,0.00000328,-0.00000426,-0.00000017,-0.00000246,-0.00000237,-0.00 000043,-0.00000021,0.00000097,-0.00000131,0.00000027,0.00000049,0.0000 0067,-0.00000017,-0.00000002,0.00000081,0.00000101,-0.00001934,0.00001 352,0.00000661,-0.00003549,-0.00000589,0.00000619,-0.00000420,-0.00000 234,-0.00000298,0.00000122,0.00000105,0.00000164,-0.00000956,0.0000016 0,-0.00000430,0.00000287,-0.00000053,0.00000111,0.00003311,-0.00000630 ,-0.00000740,-0.00002010,0.00000909,0.00001021,-0.00002740,-0.00000029 ,0.00000149,0.00000911,0.00000093,-0.00000033,-0.00000115,-0.00000084, -0.00000115,-0.00000061,0.,-0.00000048,-0.00000048,-0.00000052,0.00000 074,0.00003276,0.00002596,0.00003109,0.00013656,-0.00000987,-0.0000081 4,-0.00000349,0.00002375,-0.00001370,0.00000922,-0.00000301,-0.0000019 5,0.00002022,-0.00000629,-0.00000187,-0.00000045,-0.00000243,-0.000001 64,-0.00000171,-0.00000084,0.00000087,-0.00000636,-0.00000227,0.000000 81,-0.00000262,-0.00000095,0.00000111,-0.00000274,0.00002057,-0.000007 39,-0.00008293,-0.00000656,-0.00004100,-0.00015535,-0.00012213,-0.0000 1779,-0.00001146,-0.00002756,0.00000299,0.00000242,0.00002384,-0.00000 306,-0.00001841,-0.00000297,0.00000562,0.00001269,-0.00000238,-0.00000 202,0.00002350,-0.00003169,0.00001772,-0.00001945,0.00003005,-0.000011 11,-0.00001487,0.00001236,-0.00001708,0.00001321,-0.00002170,0.0000097 6,-0.00000075,-0.00000014,-0.00000242,-0.00000208,0.00000202,-0.000001 72,-0.00000169,0.00000153,0.00000226,0.00037619,0.00017539,0.00008773, -0.00006014,0.00037269,0.00011737,-0.00001217,0.00002179,0.00002014,-0 .00001012,0.00001307,0.00006017,0.00012609,0.00005299,0.00017789,-0.00 002047,-0.00017584,0.00020248,-0.00000656,-0.00001215,-0.00001085,-0.0 0000010,-0.00001022,0.00001400,-0.00000680,-0.00000558,-0.00000395,0.0 0002665,-0.00005659,-0.00001057,-0.00027602,-0.00070353,-0.00001049,0. 00021204,-0.00016161,-0.00025475,-0.00005881,-0.00009857,0.00002783,0. 00002216,-0.00004830,-0.00005612,-0.00001259,0.00000334,0.00001430,-0. 00001230,-0.00004109,-0.00007244,0.00000336,0.00001126,0.00001431,-0.0 0005217,0.00019035,0.00145624,-0.00584544,-0.00428939,-0.00441528,-0.0 0041249,-0.00013221,-0.00031689,-0.00865467,-0.13259646,-0.15902225,0. 00232673,0.01235764,0.01194499,-0.00241308,-0.02170341,-0.01353063,0.0 1478857,0.14695031,0.16362848,0.00060510,-0.00130737,0.00047697,0.0006 8306,-0.00079180,-0.00138239,0.00000161,-0.00040064,-0.00012460,-0.000 38119,-0.00060580,-0.00064053,-0.00009411,0.00101185,-0.00011338,-0.00 006906,-0.00001156,0.00000008,0.00006174,0.00009799,0.00011736,-0.0002 4418,0.00004724,0.00000037,-0.00000844,0.00017917,0.00004497,-0.000550 00,0.00138031,0.00098510,-0.00183097,0.00099677,0.00111186,-0.00013615 ,0.00052391,0.00051357,0.00001154,-0.00017159,-0.00012801,0.00038673,0 .00043509,0.00056795,-0.00013811,-0.00017239,-0.00016230,-0.00947634,- 0.00080209,0.00134558,0.00382477,-0.00118204,-0.00168636,-0.00442050,- 0.00054962,0.00423313,-0.00152097,-0.00038209,0.00005595,0.00022528,0. 00010977,0.00009190,0.00019789,0.00009096,0.00004175,0.00019240,0.0000 5268,-0.00005713,0.00236492,0.00120919,0.00172305,-0.00033340,0.002437 28,0.00280626,0.00074927,0.00102848,-0.00033987,0.00054687,-0.00051015 ,-0.00088242,0.00205050,-0.00095815,-0.00055003,-0.00033164,-0.0003201 0,-0.00034712,-0.00014424,-0.00008421,-0.00003582,-0.00016104,0.000041 63,0.00017507,-0.00031022,0.00001626,0.00015989,-0.00150037,0.00137148 ,-0.00075854,-0.00469338,0.00286420,0.00191227,0.00001258,-0.00111623, -0.00102733,-0.00053055,-0.00096678,-0.00022184,-0.00002447,0.00038509 ,0.00002667,-0.00245106,0.00122154,0.00068733,0.00077165,-0.00268430,0 .00042529,0.00142230,-0.00273537,-0.00072836,-0.00192391,0.00139921,0. 00029783,-0.00042021,0.00094399,0.00019734,0.00011640,-0.00022577,-0.0 0046469,-0.00006710,0.00012622,0.00018331,-0.00014179,-0.00000878,-0.0 0019516,0.00016583,0.00037485,-0.00017068,-0.00005439,0.00086946,-0.00 002312,-0.00105021,0.00021982,0.00071987,-0.00017090,0.00029251,0.0000 5909,-0.00020100,0.00004827,0.00063028,0.00022064,0.00044892,0.0003374 3,0.00005407,-0.00029387,-0.00006735,-0.00000827,-0.00001160,0.0000101 7,0.00000622,-0.00001995,0.00001445,-0.00005620,0.00002237,0.00038883, 0.00014949,-0.00008457,-0.00007106,0.00122646,-0.00086430,-0.00057877, 0.00056546,0.00004956,-0.00028770,-0.00010917,-0.00001837,0.00011470,0 .00040629,-0.00029087,-0.00035700,-0.00010460,0.00009352,0.00009476,0. 00005271,-0.00041306,-0.00068334,-0.00000536,0.00019725,0.00026192,-0. 00967907,-0.00114721,-0.00311755,0.00373735,0.00186710,0.00363989,-0.0 0779926,-0.00246912,-0.00061401,-0.00173115,-0.00019483,-0.00049107,0. 00031163,-0.00002730,0.00005856,0.00024959,0.00004659,0.00004995,0.000 24728,0.00007989,0.00007847,0.03125540,-0.00142334,0.00152152,-0.00012 147,-0.00171293,-0.00082153,0.00073714,-0.00017299,-0.00011631,-0.0002 3870,-0.00029250,0.00007710,-0.00017910,0.00028014,-0.00019070,0.00011 571,0.00012306,-0.00002216,0.00003865,-0.00004248,0.00011237,0.0000234 9,0.00009737,-0.00001720,0.00002728,0.00005868,0.00000173,-0.00011792, 0.00178600,-0.00104411,-0.00030993,0.00153148,0.00126845,0.00048748,0. 00016959,0.00005078,0.00023954,-0.00001701,-0.00000269,-0.00008674,0.0 0038261,-0.00015187,0.00019622,-0.00012233,0.00003694,-0.00003411,-0.0 0172580,0.00083732,0.00106263,0.00095514,-0.00063581,-0.00062500,-0.00 230477,-0.00234369,0.00142697,-0.00016030,0.00006085,-0.00006014,0.000 04199,0.00005676,0.00003663,-0.00000050,-0.00004113,0.00003494,0.00005 011,0.00001882,-0.00003505,-0.00020992,-0.00133429,-0.00243770,0.00431 674,-0.00194198,-0.00214257,0.00054085,-0.00076888,-0.00025708,0.00114 186,-0.00390610,-0.00211477,-0.00014896,-0.00037705,-0.00048112,0.0000 7134,0.00015834,0.00025818,0.00002730,0.00007136,0.00003115,-0.0000247 4,0.00068832,0.00036774,0.00015820,0.00002923,0.00029134,0.00139826,0. 00021297,0.00041284,0.00202512,-0.00505865,-0.00387383,-0.00266332,-0. 00075835,0.00169991,-0.00065007,0.00062578,0.00062145,0.00014513,-0.00 000749,-0.00003650,-0.00109599,-0.00370342,0.00065320,-0.00178921,-0.0 0198420,0.00116820,-0.00119143,0.00283023,-0.00113118,0.00069523,-0.00 308794,-0.00045669,0.00048884,-0.00111459,0.00021633,-0.00039051,0.001 58823,0.00032955,0.00013944,-0.00024406,0.00012505,0.00006431,-0.00023 233,0.00002838,0.00027030,-0.00048408,0.00011420,0.00027559,0.00049410 ,0.00004474,0.00007348,0.00023882,0.00023156,0.00018998,0.00012976,-0. 00008236,0.00005441,-0.00007411,0.00011949,0.00100695,0.00172926,-0.00 029082,-0.00005761,-0.00018539,-0.00010599,0.00000719,-0.00011720,0.00 000536,-0.00012682,-0.00001538,0.00009201,0.00005740,-0.00002001,0.000 06553,0.00003310,-0.00003992,-0.00003957,0.00013245,-0.00048313,-0.000 27286,-0.00008780,-0.00023372,-0.00008778,0.00005341,0.00006639,0.0000 4431,-0.00019417,-0.00008224,0.00000836,0.00007059,0.00001118,-0.00002 795,-0.00025092,-0.00018910,-0.00010600,0.00021186,-0.00002100,-0.0001 7134,-0.00246228,0.00047911,-0.00027846,0.00098650,0.00006375,0.000507 94,0.00022168,-0.00207044,0.00008053,-0.00046168,0.00009835,-0.0001290 4,0.00009082,-0.00000987,0.00005598,0.00007004,0.00006267,0.00002151,0 .00004438,-0.00000099,-0.00001866,-0.00075851,0.02031265,-0.00068544,0 .00043402,-0.00021167,-0.00187398,-0.00021893,0.00206365,0.00002178,0. 00012058,-0.00001589,-0.00022051,0.00019978,0.00039466,0.00026415,-0.0 0042448,-0.00034899,0.00014155,0.00004814,-0.00001211,-0.00013995,-0.0 0010297,-0.00025014,0.00000623,-0.00003720,0.00007799,0.00016274,0.000 10923,-0.00016761,0.00034936,-0.00084066,-0.00127942,0.00165206,0.0013 9919,-0.00090441,0.00016207,-0.00007589,-0.00030653,-0.00006981,-0.000 02950,0.00004143,0.00011461,-0.00017862,-0.00030261,0.00001117,0.00010 362,0.00008039,0.00498320,0.00086831,0.00099580,-0.00229142,0.00033736 ,0.00065665,0.00196816,0.00045435,-0.00401372,0.00083641,0.00017775,0. 00010101,-0.00016063,-0.00002188,-0.00005144,-0.00013684,-0.00008336,0 .00005026,-0.00010162,-0.00006257,0.00000781,-0.00052687,-0.00160800,- 0.00192070,0.00385221,-0.00167827,0.00280635,-0.00054538,-0.00014309,0 .00001890,-0.00053750,0.00029888,0.00180009,-0.00029112,-0.00107945,0. 00011054,0.00007187,0.00021072,0.00017405,-0.00006561,0.00033674,-0.00 015864,0.00006130,-0.00018416,-0.00041701,0.00009600,0.00020749,-0.000 21328,-0.00061763,0.00016030,0.00017617,0.00192161,-0.00403707,-0.0063 1769,-0.00143253,0.00018661,-0.00041046,0.00012947,0.00034034,-0.00039 236,0.00005926,-0.00019887,0.00003605,0.00095332,-0.00010987,-0.002840 00,0.00017952,0.00105824,0.00103946,0.00093170,-0.00590825,-0.00396626 ,-0.00060130,0.00205884,-0.00045667,0.00045145,0.00170607,0.00228872,- 0.00144454,0.00150117,-0.00129082,0.00020003,-0.00007995,0.00031002,0. 00029107,-0.00005725,0.00030373,-0.00017236,0.00026833,-0.00013090,0.0 0029524,0.00002526,0.00040462,0.00007406,0.00009615,0.00020513,0.00012 257,-0.00004222,0.00005171,0.00010414,0.00007884,-0.00000219,0.0007719 5,0.00007917,0.00035133,0.00002404,-0.00005214,-0.00004376,-0.00000479 ,-0.00002252,-0.00000546,-0.00002184,-0.00001637,0.00003031,0.00020008 ,0.00004384,-0.00022115,-0.00001867,-0.00000766,-0.00003912,-0.0001049 3,-0.00011200,-0.00044127,-0.00009833,-0.00007010,-0.00013563,0.000073 62,0.00002576,0.00005275,-0.00021917,0.00005553,-0.00003832,0.00009396 ,-0.00005094,-0.00000745,-0.00033344,0.00002485,-0.00014914,0.00019138 ,-0.00011956,-0.00000505,-0.00034939,0.00035825,0.00093332,-0.00007006 ,-0.00021345,-0.00073018,-0.00018193,0.00020333,-0.00143899,-0.0001648 5,-0.00004428,-0.00000742,-0.00002541,0.00000773,0.00004020,0.00004646 ,0.00003597,-0.00001627,-0.00003026,-0.00003810,-0.00000539,-0.0083317 0,0.00432889,0.01406302\\-0.00000169,0.00000434,-0.00000111,-0.0000148 4,-0.00000604,0.00001439,0.00000323,-0.00000366,-0.00000521,0.00000121 ,-0.00000138,-0.00000306,-0.00000118,-0.00000225,-0.00000630,0.0000004 9,-0.00000140,-0.00000283,0.00000098,-0.00000288,-0.00000317,0.0000000 2,-0.00000173,-0.00000413,0.00000146,-0.00000056,-0.00000166,0.0000044 9,-0.00000954,-0.00000977,0.00001683,0.00000367,-0.00000234,0.00000462 ,-0.00000052,-0.00000062,0.00000235,-0.00000623,-0.00000107,0.00000087 ,-0.00000571,-0.00000466,0.00000081,-0.00000199,-0.00000417,-0.0000009 1,0.00000333,-0.00000684,-0.00000114,0.00000337,-0.00000293,-0.0000021 4,-0.00000108,-0.00000475,-0.00000576,-0.00000128,-0.00000690,-0.00000 254,-0.00000179,-0.00000686,-0.00000129,-0.00000068,-0.00000456,-0.000 00338,0.00000126,-0.00000690,-0.00000568,-0.00000309,-0.00000642,0.000 01239,-0.00000948,0.00000164,0.00000108,0.00001035,0.00001313,-0.00000 029,0.00000416,0.00000300,-0.00000515,0.00000104,0.00000069,0.00000197 ,-0.00000081,0.00000131,-0.00000012,0.00000055,0.00000184,0.00000013,- 0.00000064,0.00000132,0.00000151,-0.00000289,0.00000203,-0.00000218,0. 00000200,0.00000122,-0.00000083,0.00000177,0.00000160,-0.00000980,0.00 001366,0.00000008,-0.00000526,-0.00000317,-0.00000312,0.00000598,-0.00 000065,0.00000484,0.00000041,-0.00000077,-0.00000042,-0.00000042,0.000 00143,0.00000097,0.00000364,-0.00000139,0.00001031,0.00000356,-0.00000 649,-0.00001543,-0.00000122,0.00000066,-0.00000408,-0.00000514,-0.0000 0398,0.00000548,0.00000389,-0.00000237,-0.00000306,0.00000242,-0.00000 399,-0.00000815,-0.00000117,-0.00000123,-0.00000710,-0.00000684,-0.000 00112,0.00000567,0.00000287,0.00000389,0.00000280,0.00000406,0.0000017 1,0.00000160,0.00000601,0.00000189,0.00000790,0.00000053,-0.00000680,0 .00000295,-0.00000211,0.00000100,0.00000257,0.00000183,0.00000118,0.00 000660,0.00000120,-0.00000119,0.00000297,0.00000051,0.00000021,0.,-0.0 0000109,0.00000383,0.00000513,-0.00000512,0.00000472,0.00000520,-0.000 00060,0.00000008,0.00000372,0.00000131,0.00000187,0.00000403,-0.000000 16,-0.00000093,0.00000746,0.00000194,0.00000200,0.00000470,0.00000028, 0.00000288,-0.00000160,0.00000600,-0.00000620,0.00000411,-0.00001005,0 .00001260,0.00000058,-0.00000934,-0.00000915,0.00000281,0.00000845,0.0 0000165,0.00000266,-0.00000570,0.00001022,-0.00000178,-0.00000257,0.00 000489,0.00000301,-0.00000180,0.00000368,0.00000220,-0.00000319,0.0000 0512,-0.00000005,0.00001139,0.00000006,-0.00000147\\\@ HE THAT RISETH LATE MUST TROT ALL DAY. -- BENJAMIN FRANKLIN Job cpu time: 0 days 10 hours 39 minutes 36.3 seconds. File lengths (MBytes): RWF= 3497 Int= 0 D2E= 0 Chk= 28 Scr= 1 Normal termination of Gaussian 09 at Mon Oct 27 15:00:00 2014.