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|
diagonalizing the dynamical matrix ...
q = 0.0000 0.0000 0.0000
**************************************************************************
freq ( 1) = -0.000000 [THz] = -0.000006 [cm-1]
( -0.068263 0.000000 0.262957 -0.000000 0.652835 -0.000000 )
( -0.068263 0.000000 0.262957 -0.000000 0.652835 0.000000 )
freq ( 2) = -0.000000 [THz] = -0.000005 [cm-1]
( -0.213655 0.000000 0.617204 -0.000000 -0.270945 -0.000000 )
( -0.213655 0.000000 0.617204 -0.000000 -0.270945 0.000000 )
freq ( 3) = -0.000000 [THz] = -0.000002 [cm-1]
( -0.670590 0.000000 -0.223414 -0.000000 0.019870 -0.000000 )
( -0.670590 0.000000 -0.223414 0.000000 0.019870 0.000000 )
freq ( 4) = 11.257722 [THz] = 375.517197 [cm-1]
( 0.665285 -0.000000 0.665285 -0.000000 0.000000 -0.000000 )
( -0.239574 0.000000 -0.239574 0.000000 0.000000 0.000000 )
freq ( 5) = 11.257722 [THz] = 375.517197 [cm-1]
( 0.384102 -0.000000 -0.384102 0.000000 -0.768205 0.000000 )
( -0.138318 -0.000000 0.138318 0.000000 0.276637 0.000000 )
freq ( 6) = 12.308273 [THz] = 410.559794 [cm-1]
( -0.543203 0.000000 0.543203 -0.000000 -0.543203 -0.000000 )
( 0.195612 0.000000 -0.195612 -0.000000 0.195612 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.1667 0.1667 -0.1667
**************************************************************************
freq ( 1) = 1.295376 [THz] = 43.209077 [cm-1]
( 0.375820 0.003519 -0.186386 -0.030480 -0.562206 -0.033998 )
( 0.379762 -0.019399 -0.190096 -0.019399 -0.569858 0.000000 )
freq ( 2) = 1.295376 [THz] = 43.209077 [cm-1]
( 0.427773 -0.072064 0.538043 -0.065395 0.110270 0.006668 )
( 0.427614 -0.098904 0.539385 -0.098904 0.111771 0.000000 )
freq ( 3) = 3.226460 [THz] = 107.623127 [cm-1]
( -0.317350 -0.219735 0.317350 0.219735 -0.317350 -0.219735 )
( -0.429347 -0.000000 0.429347 -0.000000 -0.429347 0.000000 )
freq ( 4) = 11.117627 [THz] = 370.844128 [cm-1]
( -0.037899 -0.065531 0.643932 -0.024299 0.681831 0.041232 )
( 0.014872 0.022467 -0.228249 0.022467 -0.243121 0.000000 )
freq ( 5) = 11.117627 [THz] = 370.844128 [cm-1]
( 0.761704 -0.076062 0.408633 -0.097413 -0.353071 -0.021351 )
( -0.268978 0.043387 -0.143083 0.043387 0.125895 0.000000 )
freq ( 6) = 12.263595 [THz] = 409.069490 [cm-1]
( -0.451594 -0.312686 0.451594 0.312686 -0.451594 -0.312686 )
( 0.177829 -0.000000 -0.177829 0.000000 0.177829 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 0.3333 -0.3333
**************************************************************************
freq ( 1) = 1.989506 [THz] = 66.362782 [cm-1]
( 0.491596 0.010383 0.000372 -0.012221 -0.491223 -0.022604 )
( 0.507812 -0.012629 -0.000196 -0.012629 -0.508009 0.000000 )
freq ( 2) = 1.989506 [THz] = 66.362782 [cm-1]
( 0.283989 -0.008119 0.567729 0.004938 0.283740 0.013057 )
( 0.292687 -0.021865 0.586122 -0.021865 0.293435 0.000000 )
freq ( 3) = 5.553519 [THz] = 185.245441 [cm-1]
( 0.061137 0.295266 -0.061137 -0.295266 0.061137 0.295266 )
( 0.492355 -0.000000 -0.492355 0.000000 0.492355 0.000000 )
freq ( 4) = 10.937257 [THz] = 364.827620 [cm-1]
( -0.134315 -0.114170 0.582413 -0.081189 0.716728 0.032981 )
( 0.048599 0.037603 -0.201501 0.037603 -0.250100 0.000000 )
freq ( 5) = 10.937257 [THz] = 364.827620 [cm-1]
( -0.710548 0.241837 -0.428619 0.254810 0.281929 0.012973 )
( 0.243545 -0.095595 0.145166 -0.095595 -0.098378 0.000000 )
freq ( 6) = 11.909060 [THz] = 397.243478 [cm-1]
( -0.114314 -0.552092 0.114314 0.552092 -0.114314 -0.552092 )
( 0.124340 -0.000000 -0.124340 0.000000 0.124340 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.5000 0.5000
**************************************************************************
freq ( 1) = 2.010344 [THz] = 67.057844 [cm-1]
( 0.553941 -0.000000 0.378626 -0.000000 -0.175315 0.000000 )
( 0.575472 -0.000000 0.393343 -0.000000 -0.182129 0.000000 )
freq ( 2) = 2.010344 [THz] = 67.057844 [cm-1]
( -0.117381 -0.000000 0.421036 -0.000000 0.538417 -0.000000 )
( -0.121944 -0.000000 0.437401 -0.000000 0.559345 0.000000 )
freq ( 3) = 6.492694 [THz] = 216.572950 [cm-1]
( 0.141657 0.000000 -0.141657 -0.000000 0.141657 0.000000 )
( -0.559702 0.000000 0.559702 -0.000000 -0.559702 0.000000 )
freq ( 4) = 10.939864 [THz] = 364.914585 [cm-1]
( -0.539538 -0.000000 0.207767 -0.000000 0.747305 -0.000000 )
( 0.187022 0.000000 -0.072019 0.000000 -0.259042 0.000000 )
freq ( 5) = 10.939864 [THz] = 364.914585 [cm-1]
( -0.551411 -0.000000 -0.742959 -0.000000 -0.191548 0.000000 )
( 0.191138 0.000000 0.257535 0.000000 0.066397 0.000000 )
freq ( 6) = 11.550474 [THz] = 385.282326 [cm-1]
( 0.574967 0.000000 -0.574967 -0.000000 0.574967 0.000000 )
( 0.052403 0.000000 -0.052403 -0.000000 0.052403 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.3333 0.0000
**************************************************************************
freq ( 1) = 1.789793 [THz] = 59.701064 [cm-1]
( 0.651805 0.157865 -0.000000 0.000000 0.042337 0.212784 )
( 0.530565 0.456092 -0.000000 -0.000000 0.116790 -0.000000 )
freq ( 2) = 1.789793 [THz] = 59.701064 [cm-1]
( -0.030433 -0.214810 0.000000 -0.000000 -0.562893 0.364586 )
( 0.088564 0.076133 0.000000 -0.000000 -0.699656 0.000000 )
freq ( 3) = 3.292194 [THz] = 109.815787 [cm-1]
( -0.000000 -0.000000 -0.576768 0.320593 -0.000000 0.000000 )
( -0.000000 -0.000000 -0.751272 -0.012232 -0.000000 0.000000 )
freq ( 4) = 10.964804 [THz] = 365.746479 [cm-1]
( -0.028583 0.913467 0.000000 -0.000000 -0.016386 -0.225784 )
( 0.187084 -0.242232 -0.000000 -0.000000 -0.140844 0.000000 )
freq ( 5) = 10.964804 [THz] = 365.746479 [cm-1]
( 0.215090 -0.070590 0.000000 -0.000000 0.834173 -0.373356 )
( -0.086091 0.111469 0.000000 0.000000 -0.306067 0.000000 )
freq ( 6) = 12.382322 [THz] = 413.029801 [cm-1]
( -0.000000 -0.000000 0.833367 -0.463222 -0.000000 0.000000 )
( -0.000000 0.000000 -0.301498 -0.004909 0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.1667 0.5000 -0.1667
**************************************************************************
freq ( 1) = 2.310810 [THz] = 77.080338 [cm-1]
( 0.295643 -0.399213 0.000000 -0.000000 -0.295643 0.399213 )
( 0.503214 -0.000000 0.000000 -0.000000 -0.503214 0.000000 )
freq ( 2) = 2.839202 [THz] = 94.705591 [cm-1]
( 0.409880 0.068129 0.351967 -0.086776 0.409880 0.068129 )
( 0.426251 -0.000000 0.362148 0.169626 0.426251 0.000000 )
freq ( 3) = 4.918818 [THz] = 164.074098 [cm-1]
( -0.134902 -0.208121 0.426738 0.161599 -0.134902 -0.208121 )
( -0.318194 0.000000 0.594255 0.336334 -0.318194 0.000000 )
freq ( 4) = 10.713588 [THz] = 357.366839 [cm-1]
( -0.396515 0.535423 0.000000 0.000000 0.396515 -0.535423 )
( 0.236850 -0.000000 0.000000 -0.000000 -0.236850 0.000000 )
freq ( 5) = 10.869345 [THz] = 362.562306 [cm-1]
( -0.602030 -0.208415 -0.259672 0.122685 -0.602030 -0.208415 )
( 0.212058 -0.000000 0.073404 0.102169 0.212058 0.000000 )
freq ( 6) = 11.986915 [THz] = 399.840433 [cm-1]
( -0.066625 -0.201724 0.763190 0.516743 -0.066625 -0.201724 )
( 0.044482 -0.000000 -0.166332 -0.169207 0.044482 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 -0.3333 0.6667
**************************************************************************
freq ( 1) = 2.344233 [THz] = 78.195200 [cm-1]
( 0.277319 -0.405898 -0.000000 0.000000 -0.277319 0.405898 )
( 0.508273 0.000000 -0.000000 -0.000000 -0.508273 0.000000 )
freq ( 2) = 3.281553 [THz] = 109.460832 [cm-1]
( -0.323163 -0.065285 -0.477386 0.151141 -0.323163 -0.065285 )
( -0.336211 -0.000000 -0.506233 -0.222526 -0.336211 0.000000 )
freq ( 3) = 6.094057 [THz] = 203.275873 [cm-1]
( 0.087167 -0.224624 -0.007675 0.128697 0.087167 -0.224624 )
( -0.499065 0.000000 0.528002 0.300586 -0.499065 0.000000 )
freq ( 4) = 10.726781 [THz] = 357.806905 [cm-1]
( -0.376705 0.551365 0.000000 0.000000 0.376705 -0.551365 )
( 0.232574 0.000000 -0.000000 -0.000000 -0.232574 0.000000 )
freq ( 5) = 10.836005 [THz] = 361.450206 [cm-1]
( -0.452254 -0.460848 -0.270249 0.060756 -0.452254 -0.460848 )
( 0.146026 0.000000 0.064280 0.206554 0.146026 0.000000 )
freq ( 6) = 11.308494 [THz] = 377.210773 [cm-1]
( 0.251863 0.036811 -0.689868 0.603906 0.251863 0.036811 )
( 0.076273 -0.000000 0.111772 -0.075307 0.076273 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.1667 0.5000
**************************************************************************
freq ( 1) = 2.388506 [THz] = 79.671971 [cm-1]
( -0.255600 0.415207 0.000000 -0.000000 0.255600 -0.415207 )
( -0.512125 0.000000 0.000000 0.000000 0.512125 0.000000 )
freq ( 2) = 3.287995 [THz] = 109.675696 [cm-1]
( 0.254587 0.079168 0.552525 -0.181300 0.254587 0.079168 )
( 0.273783 -0.000000 0.535647 0.287839 0.273783 0.000000 )
freq ( 3) = 5.803756 [THz] = 193.592453 [cm-1]
( 0.141439 0.180325 -0.246040 -0.176154 0.141439 0.180325 )
( -0.533352 0.000000 0.404522 0.266127 -0.533352 0.000000 )
freq ( 4) = 10.791531 [THz] = 359.966720 [cm-1]
( -0.350650 0.569609 -0.000000 0.000000 0.350650 -0.569609 )
( 0.229324 -0.000000 0.000000 0.000000 -0.229324 0.000000 )
freq ( 5) = 10.806296 [THz] = 360.459220 [cm-1]
( -0.564607 -0.230201 -0.378902 0.168644 -0.564607 -0.230201 )
( 0.064354 -0.000000 0.242159 0.132367 0.064354 0.000000 )
freq ( 6) = 11.341514 [THz] = 378.312177 [cm-1]
( 0.193516 0.301873 -0.816345 -0.163508 0.193516 0.301873 )
( 0.148646 0.000000 -0.006727 0.073886 0.148646 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.3333 0.0000 0.3333
**************************************************************************
freq ( 1) = 1.873143 [THz] = 62.481311 [cm-1]
( 0.246319 -0.426638 -0.000000 0.000000 -0.246319 0.426638 )
( 0.507255 0.000000 -0.000000 0.000000 -0.507255 0.000000 )
freq ( 2) = 2.893970 [THz] = 96.532452 [cm-1]
( -0.062181 0.107700 0.581650 0.335816 -0.062181 0.107700 )
( 0.136462 0.000000 -0.000000 0.693351 0.136462 0.000000 )
freq ( 3) = 4.314207 [THz] = 143.906440 [cm-1]
( 0.204227 -0.353731 0.189392 0.109346 0.204227 -0.353731 )
( 0.531221 -0.000000 -0.000000 -0.232627 0.531221 0.000000 )
freq ( 4) = 10.966089 [THz] = 365.789360 [cm-1]
( 0.333732 -0.578041 0.000000 -0.000000 -0.333732 0.578041 )
( -0.233434 0.000000 -0.000000 0.000000 0.233434 0.000000 )
freq ( 5) = 11.041769 [THz] = 368.313758 [cm-1]
( -0.125986 0.218214 0.758432 0.437881 -0.125986 0.218214 )
( -0.063675 0.000000 -0.000000 -0.312975 -0.063675 0.000000 )
freq ( 6) = 11.863162 [THz] = 395.712504 [cm-1]
( 0.319074 -0.552652 0.287238 0.165837 0.319074 -0.552652 )
( -0.192012 -0.000000 -0.000000 0.042321 -0.192012 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 0.6667 0.0000
**************************************************************************
freq ( 1) = 2.753723 [THz] = 91.854307 [cm-1]
( 0.566084 0.269839 -0.000000 0.000000 0.218852 -0.237512 )
( 0.086705 0.099599 -0.000000 0.000000 0.696412 0.000000 )
freq ( 2) = 2.753723 [THz] = 91.854307 [cm-1]
( -0.295731 0.129813 -0.000000 0.000000 -0.071282 -0.623044 )
( -0.457261 -0.525264 -0.000000 0.000000 0.132052 0.000000 )
freq ( 3) = 5.632472 [THz] = 187.879030 [cm-1]
( 0.000000 0.000000 0.159987 -0.450901 -0.000000 -0.000000 )
( -0.000000 -0.000000 0.863513 -0.159490 0.000000 -0.000000 )
freq ( 4) = 10.461225 [THz] = 348.948915 [cm-1]
( -0.704073 -0.490465 -0.000000 0.000000 -0.096133 0.375067 )
( -0.045559 0.065648 -0.000000 0.000000 0.327755 0.000000 )
freq ( 5) = 10.461225 [THz] = 348.948915 [cm-1]
( -0.064675 -0.381751 0.000000 -0.000000 0.742348 -0.430343 )
( -0.186868 0.269265 0.000000 -0.000000 -0.079908 0.000000 )
freq ( 6) = 12.306524 [THz] = 410.501466 [cm-1]
( -0.000000 -0.000000 0.070437 0.978759 0.000000 -0.000000 )
( -0.000000 0.000000 0.159399 -0.107987 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.8333 -0.1667 0.8333
**************************************************************************
freq ( 1) = 2.793291 [THz] = 93.174159 [cm-1]
( -0.228803 -0.439289 0.000000 -0.000000 0.228803 0.439289 )
( 0.504653 0.000000 0.000000 0.000000 -0.504653 0.000000 )
freq ( 2) = 3.582830 [THz] = 119.510331 [cm-1]
( 0.431831 0.200793 0.139387 -0.132230 0.431831 0.200793 )
( 0.484658 0.000000 0.078745 0.183048 0.484658 0.000000 )
freq ( 3) = 6.124405 [THz] = 204.288148 [cm-1]
( 0.096926 -0.070279 0.221163 0.109417 0.096926 -0.070279 )
( -0.211801 -0.000000 0.264318 0.866524 -0.211801 0.000000 )
freq ( 4) = 10.450875 [THz] = 348.603661 [cm-1]
( -0.580587 -0.328416 0.060845 0.022183 -0.580587 -0.328416 )
( 0.210344 -0.000000 -0.021345 0.130326 0.210344 -0.000000 )
freq ( 5) = 10.470831 [THz] = 349.269330 [cm-1]
( -0.307974 -0.591294 -0.000000 0.000000 0.307974 0.591294 )
( -0.235633 0.000000 -0.000000 -0.000000 0.235633 0.000000 )
freq ( 6) = 11.789818 [THz] = 393.266010 [cm-1]
( 0.016049 0.028488 -0.586614 0.798380 0.016049 0.028488 )
( 0.049701 -0.000000 0.106293 0.009857 0.049701 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 0.0000 0.6667
**************************************************************************
freq ( 1) = 2.802230 [THz] = 93.472342 [cm-1]
( 0.243417 0.421611 0.000000 -0.000000 -0.243417 -0.421611 )
( -0.512828 -0.000000 0.000000 0.000000 0.512828 0.000000 )
freq ( 2) = 4.188753 [THz] = 139.721753 [cm-1]
( -0.196130 -0.339706 -0.383006 0.221129 -0.196130 -0.339706 )
( -0.375031 -0.000000 0.000000 -0.464088 -0.375031 0.000000 )
freq ( 3) = 5.980001 [THz] = 199.471357 [cm-1]
( -0.057378 -0.099381 0.106417 -0.061440 -0.057378 -0.099381 )
( 0.465514 -0.000000 -0.000000 -0.724677 0.465514 0.000000 )
freq ( 4) = 10.313941 [THz] = 344.036051 [cm-1]
( 0.338641 0.586543 -0.125172 0.072268 0.338641 0.586543 )
( -0.095356 0.000000 -0.000000 -0.208577 -0.095356 0.000000 )
freq ( 5) = 10.557462 [THz] = 352.159040 [cm-1]
( 0.334545 0.579449 0.000000 0.000000 -0.334545 -0.579449 )
( 0.228732 -0.000000 0.000000 0.000000 -0.228732 0.000000 )
freq ( 6) = 11.260498 [THz] = 375.609798 [cm-1]
( 0.000719 0.001245 0.843946 -0.487252 0.000719 0.001245 )
( -0.136037 0.000000 -0.000000 -0.115432 -0.136037 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.0000 -1.0000 0.0000
**************************************************************************
freq ( 1) = 2.840844 [THz] = 94.760362 [cm-1]
( -0.457436 0.000000 -0.000000 -0.000000 0.540046 -0.000000 )
( 0.539078 -0.000000 -0.000000 0.000000 -0.456615 0.000000 )
freq ( 2) = 2.840844 [THz] = 94.760362 [cm-1]
( -0.540046 0.000000 0.000000 0.000000 -0.457436 0.000000 )
( -0.456615 0.000000 0.000000 -0.000000 -0.539078 0.000000 )
freq ( 3) = 6.563321 [THz] = 218.928819 [cm-1]
( -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 )
( 0.000000 0.000000 1.000000 0.000000 0.000000 -0.000000 )
freq ( 4) = 10.441904 [THz] = 348.304426 [cm-1]
( -0.933318 0.000000 -0.000000 0.000000 0.117306 -0.000000 )
( -0.042319 0.000000 -0.000000 -0.000000 0.336699 0.000000 )
freq ( 5) = 10.441904 [THz] = 348.304426 [cm-1]
( 0.117306 0.000000 -0.000000 0.000000 0.933318 -0.000000 )
( -0.336699 0.000000 0.000000 -0.000000 -0.042319 0.000000 )
freq ( 6) = 12.209387 [THz] = 407.261323 [cm-1]
( 0.000000 -0.000000 -1.000000 -0.000000 -0.000000 0.000000 )
( 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.6667 -0.3333 1.0000
**************************************************************************
freq ( 1) = 3.039777 [THz] = 101.396057 [cm-1]
( 0.314613 0.544927 0.137845 0.238754 -0.086856 0.050146 )
( -0.000000 0.546166 -0.000000 0.352365 0.309115 0.000000 )
freq ( 2) = 3.542538 [THz] = 118.166358 [cm-1]
( 0.131356 0.227515 -0.092250 -0.159782 0.533969 -0.308287 )
( 0.000000 -0.418118 0.000000 0.087046 0.578254 0.000000 )
freq ( 3) = 5.566951 [THz] = 185.693491 [cm-1]
( -0.048083 -0.083283 0.176297 0.305356 0.224220 -0.129453 )
( -0.000000 -0.290280 0.000000 0.761534 -0.367696 0.000000 )
freq ( 4) = 10.471884 [THz] = 349.304458 [cm-1]
( 0.471770 0.817130 -0.035712 -0.061856 -0.046796 0.027018 )
( 0.000000 -0.166488 -0.000000 -0.119917 -0.244156 0.000000 )
freq ( 5) = 10.812002 [THz] = 360.649558 [cm-1]
( -0.000077 -0.000134 0.135503 0.234698 -0.785939 0.453762 )
( 0.000000 -0.253655 -0.000000 0.059634 0.187240 0.000000 )
freq ( 6) = 11.431699 [THz] = 381.320430 [cm-1]
( 0.003455 0.005983 0.470170 0.814358 0.237546 -0.137147 )
( 0.000000 -0.032252 0.000000 -0.198416 0.008139 -0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = 0.5000 -0.1667 0.8333
**************************************************************************
freq ( 1) = 3.210502 [THz] = 107.090828 [cm-1]
( 0.013264 0.606618 -0.061916 0.232232 -0.072008 -0.229303 )
( -0.440284 0.267199 -0.163570 0.314287 0.354304 0.000000 )
freq ( 2) = 3.950715 [THz] = 131.781673 [cm-1]
( 0.241953 0.236735 0.141517 -0.402066 0.398885 -0.150248 )
( 0.110511 -0.431179 0.352829 0.193575 0.402443 0.000000 )
freq ( 3) = 5.955229 [THz] = 198.645058 [cm-1]
( -0.134454 0.060330 0.111606 -0.088458 -0.140275 0.024564 )
( 0.293097 0.211651 -0.199796 -0.602985 0.635224 0.000000 )
freq ( 4) = 10.435276 [THz] = 348.083335 [cm-1]
( -0.040037 -0.893200 0.167982 0.175970 0.151565 -0.190293 )
( -0.053145 0.033944 -0.083176 0.179458 0.197796 0.000000 )
freq ( 5) = 10.822389 [THz] = 360.996040 [cm-1]
( 0.041621 0.020860 0.263181 0.620833 -0.654878 0.160724 )
( -0.016299 -0.275888 0.077101 -0.009142 0.077642 0.000000 )
freq ( 6) = 10.898426 [THz] = 363.532369 [cm-1]
( -0.123601 -0.170078 -0.671441 -0.072932 -0.137960 0.661150 )
( -0.009405 0.021132 0.098090 0.108886 0.146553 0.000000 )
**************************************************************************
diagonalizing the dynamical matrix ...
q = -0.3333 -1.0000 0.0000
**************************************************************************
freq ( 1) = 3.479332 [THz] = 116.058022 [cm-1]
( 0.627799 0.362460 0.000000 0.000000 -0.000000 0.000000 )
( -0.000000 0.000000 -0.000000 0.258584 0.638456 0.000000 )
freq ( 2) = 3.714186 [THz] = 123.891904 [cm-1]
( -0.000000 -0.000000 0.251812 0.056284 -0.134214 0.600473 )
( 0.222757 0.710789 -0.000000 -0.000000 -0.000000 0.000000 )
freq ( 3) = 6.149138 [THz] = 205.113172 [cm-1]
( 0.119576 0.069037 -0.000000 0.000000 -0.000000 -0.000000 )
( -0.000000 0.000000 -0.000000 0.897062 -0.419779 0.000000 )
freq ( 4) = 10.427354 [THz] = 347.819105 [cm-1]
( 0.000000 0.000000 0.031421 0.087247 0.900827 -0.324423 )
( -0.176343 0.208718 0.000000 -0.000000 -0.000000 0.000000 )
freq ( 5) = 10.515302 [THz] = 350.752721 [cm-1]
( -0.808077 -0.466543 -0.000000 -0.000000 0.000000 -0.000000 )
( -0.000000 0.000000 -0.000000 0.193563 0.303121 0.000000 )
freq ( 6) = 11.314083 [THz] = 377.397175 [cm-1]
( -0.000000 -0.000000 0.591934 0.796496 0.001291 -0.000959 )
( 0.048936 -0.113185 -0.000000 0.000000 0.000000 0.000000 )
**************************************************************************
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