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1.0010277739E-01 1.8125792971E-02 -9.0847217695E-06 3 0.0000000000E+00 4.7303187800E-02 -3.6561396386E-02 -4.5157057234E-03 -2.6034477222E-07 4 0.0000000000E+00 -1.6516398084E-02 -9.5227271973E-02 5.9801646362E-01 6.3674525520E-02 5 0.0000000000E+00 -3.7180838507E-01 -4.7055235356E-01 -8.5208664091E-02 4.9597577522E-01 6 0.0000000000E+00 -3.5560952616E-01 4.2807726522E-01 -1.2995464812E-01 -2.6788493062E-01 7 0.0000000000E+00 2.9099460503E-01 5.2286366308E-02 1.5676980114E-01 2.7291280052E-01 8 0.0000000000E+00 -2.1306253368E-01 -3.9442808543E-01 -3.1309282747E-01 -3.2206546012E-01 9 0.0000000000E+00 -3.5505152961E-01 3.8437266310E-01 2.2977400381E-01 -2.0198790287E-01 10 0.0000000000E+00 -3.0913561181E-01 -1.3091832357E-01 1.5964008458E-01 -3.0405607972E-01 11 0.0000000000E+00 -1.8411528768E-01 -4.4772038599E-01 1.9608827343E-01 -3.4163278167E-01 12 0.0000000000E+00 -5.4811022662E-01 1.6043325688E-01 2.0337255488E-02 4.6989044207E-01 13 0.0000000000E+00 -7.2137433220E-03 -6.7527469103E-02 6.0138423114E-01 -3.2516835117E-02 14 0.0000000000E+00 -1.7351984003E-01 1.1990870272E-01 -1.3767832842E-02 1.6783071716E-01 10 11 12 13 14 0 3.1994872509E-07 -9.2432081897E-05 -5.4343359797E-03 -2.8446098991E-02 -8.2345029786E-02 1 -1.5108210556E-06 1.0770600240E-05 8.5682011078E-02 -1.6677843455E-02 1.0678227446E-04 2 1.4964506359E-07 -6.8753951946E-05 -1.5767957277E-02 -8.0821547902E-02 2.8960646009E-02 3 7.9423020652E-08 -4.9908240777E-01 5.3770757743E-02 2.8109924355E-01 8.1247173594E-01 4 4.9593792877E-01 5.0587520831E-06 3.9625362479E-02 -7.7129039652E-03 4.9442937052E-05 5 -6.3669189237E-02 -3.2026734230E-05 -7.2923242998E-03 -3.7377773813E-02 1.3391944848E-02 6 -3.8789758809E-01 1.6679977207E-01 -2.1987020400E-01 1.8768978701E-01 1.2818429973E-02 7 -8.5213488594E-03 4.1930269185E-01 -5.0661386304E-01 4.9703773487E-01 1.2797468300E-01 8 3.1537773018E-01 2.1650437726E-01 -2.8938826281E-01 2.2328633840E-01 7.9457830564E-02 9 4.2593938445E-01 1.6687857714E-01 2.6526509960E-01 1.1535825898E-01 5.7892675694E-03 10 1.1045794906E-02 -3.9735996097E-01 -5.9782550379E-01 -3.1364808990E-01 -1.0439388788E-01 11 -2.6163413879E-01 2.5493902886E-01 4.0173391290E-01 1.5892227387E-01 8.0410742753E-02 12 -3.8045688189E-02 1.6650544917E-01 -3.4411874126E-02 -2.4519283024E-01 1.5011714664E-01 13 -4.9844437237E-01 -2.2076128599E-02 4.3855041007E-02 2.3051014690E-02 -2.4902620899E-02 14 9.9238147318E-03 -4.7059212967E-01 8.2832522273E-02 6.1821242727E-01 -5.1834615230E-01 # # The atoms: label mass x y z (in bohrs) # $atoms 5 C 12.01100 2.043441533093 0.014361775768 -0.108977471450 H 1.00800 4.088428822464 0.014361600955 -0.108978286738 H 1.00800 1.361782268872 -1.698716011169 -0.993665474494 H 1.00800 1.361781467806 1.637064463077 -1.150199588032 H 1.00800 1.361785990560 0.104737764458 1.816937187259 $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 -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 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 # # 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 0.00020962 1.05933867 -0.001807 0.000000 0.006629 1385.81 0.00010184 0.51465292 0.001397 0.000000 -0.004581 1385.82 0.00000136 0.00687560 0.000173 0.000000 0.000526 1557.27 0.00021562 1.08966649 0.000000 0.000000 -0.006573 1557.28 0.00000075 0.00380985 -0.000000 0.000000 -0.000389 3090.01 0.00360203 18.20318438 0.013877 0.000000 0.013085 3103.92 0.00006892 0.34831316 -0.001433 0.000000 -0.002208 3103.94 0.00325946 16.47198631 -0.007493 0.000000 -0.016479 3103.96 0.00656406 33.17206637 -0.021657 0.000000 0.013817 $end