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1.3126766153E-01 -5.3326527601E-02 -2.0174234028E-01 14 0.0000000000E+00 4.6669019129E-02 -3.2614602137E-01 4.8784852530E-01 1.9362103306E-01 10 11 12 13 14 0 -1.1685424666E-06 1.0305848845E-04 -1.6400025343E-02 -3.1979547838E-03 8.5675284564E-02 1 -5.0070919903E-07 5.4593202416E-05 -5.8809524764E-02 -6.3052970933E-02 -1.3611266360E-02 2 7.9760804626E-07 -4.9746676876E-05 6.2385950041E-02 -6.0279016142E-02 9.6922378022E-03 3 -1.3626230096E-06 4.9897892641E-01 1.6230624130E-01 3.1593465320E-02 -8.4545192635E-01 4 3.4111349028E-01 2.6482553553E-05 -2.7197780136E-02 -2.9159539116E-02 -6.2950067490E-03 5 -3.6557650895E-01 -2.3880077608E-05 2.8851914775E-02 -2.7876771652E-02 4.4822877101E-03 6 -4.7122878139E-01 -1.6697405729E-01 2.8914304946E-01 6.4174313555E-03 -5.0797945399E-03 7 1.2657588124E-01 -3.3151699796E-01 5.6180656381E-01 -1.3489457042E-02 -9.5034841166E-02 8 -1.0916974631E-01 3.3651927657E-01 -5.6903524917E-01 -4.3792105404E-02 9.4560503801E-02 9 2.4669155397E-01 -1.6662718301E-01 -1.3331926298E-01 2.4512947958E-01 -7.7040068406E-02 10 -4.3392019027E-01 -1.2539328656E-01 -1.2181111507E-01 1.5640546240E-01 -9.4081351994E-02 11 2.9276305623E-02 -4.5446595783E-01 -3.1396261364E-01 6.4450414089E-01 -3.1360477361E-01 12 2.2455251402E-01 -1.6660569754E-01 -1.2271266231E-01 -2.4503458766E-01 -9.3307023098E-02 13 -3.3763214961E-02 4.5623328713E-01 2.8795749205E-01 6.3756221815E-01 3.5759862079E-01 14 4.4546044560E-01 1.1856332655E-01 1.1077526755E-01 1.4542987792E-01 9.9072430276E-02 # # The atoms: label mass x y z (in bohrs) # $atoms 5 C 12.01100 2.018492210263 0.132035672370 0.041192324579 H 1.00800 4.063478598403 0.132037299586 0.041191297887 H 1.00800 1.336837066645 -1.221049384893 1.414683138767 H 1.00800 1.336828145995 -0.380899654918 -1.817355859331 H 1.00800 1.336824342127 1.998051892739 0.526250349434 $actual_temperature 0.000000 $frequency_scale_factor 1.000000 $dipole_derivatives 15 -0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -0.0000000000E+00 -2.0000000000E-01 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -0.0000000000E+00 0.0000000000E+00 -0.0000000000E+00 -0.0000000000E+00 2.0000000000E-01 0.0000000000E+00 2.0000000000E-01 -0.0000000000E+00 0.0000000000E+00 -0.0000000000E+00 -0.0000000000E+00 -0.0000000000E+00 0.0000000000E+00 -0.0000000000E+00 -0.0000000000E+00 -0.0000000000E+00 -2.0000000000E-01 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 -2.0000000000E-01 -0.0000000000E+00 0.0000000000E+00 -0.0000000000E+00 0.0000000000E+00 # # The IR spectrum # wavenumber eps Int TX TY TZ # $ir_spectrum 15 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 0.00 0.00000000 0.00000000 0.000000 0.000000 0.000000 1385.80 0.00043085 2.17736113 -0.002037 -0.001583 -0.009506 1385.80 0.00291380 14.72516324 0.000611 -0.019085 -0.017074 1385.82 0.00019488 0.98483488 0.000850 0.004423 -0.004858 1557.27 0.00475914 24.05072327 -0.000000 0.021765 0.021908 1557.28 0.00011600 0.58621836 0.000000 -0.002953 0.003811 3090.01 0.00213139 10.77118066 -0.013874 -0.003329 0.003419 3103.91 0.01079707 54.56396020 -0.004326 -0.022844 0.023344 3103.94 0.00634783 32.07932697 -0.000842 -0.018162 -0.017539 3103.96 0.00587823 29.70617211 0.022536 -0.007011 0.005826 $end