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ÓÅ»¯ºóûÓÐÐ鯵£¬Ò²µÃµ½ËĸöYES£¬µ«ÊÇ¿´Low frequenciesµÚÒ»ÐÐÈýƽÈýתÀïÃæÓÐ4¸ö¸ºÖµ£¬ËäÈ»±È½ÏСµ«ÊDz»ÖªµÀ¿É²»¿ÉÒÔºöÂÔ£¬ËùÒÔ¼ÓÁËtightºÍverytightÊÔÁËһϣ¬ËäȻСÁËÒ»µãµ«ÊÇ»¹ÊÇÓиºÖµ£¬½á¹ûÈçÏ£¬Õâ¸ö¿ÉÒÔºöÂÔ²»¼ÆÂð»¹ÊÇÐèÒª¸ü¾«Ï¸µÄ¼ÆË㣿 Full mass-weighted force constant matrix: Low frequencies --- -6.8028 -3.6875 -1.7265 -0.0009 0.0005 0.0010 Low frequencies --- 7.0244 15.9171 18.4747 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 -- 5.7437 15.6621 18.3698 ***** tight ***** Full mass-weighted force constant matrix: Low frequencies --- -6.7899 -3.6880 -1.7281 -0.0008 -0.0003 0.0005 Low frequencies --- 7.0500 15.9153 18.4725 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 -- 5.7922 15.6604 18.3674 ***** very tight ***** Full mass-weighted force constant matrix: Low frequencies --- -6.7899 -3.6880 -1.7281 -0.0008 -0.0003 0.0005 Low frequencies --- 7.0500 15.9153 18.4725 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 -- 5.7922 15.6604 18.3674 |
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