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¸÷λ´óÏÀ£¬Ë­ÓÃGassianÕÒ³ö¹ý¶É̬À´ÓÐ×ö¶¯Á¦Ñ§Êý¾ÝµÄÂé·³°ïæ½â¾öÒ»ÏÂÕâ¸öÄÑÌâ°¡£¡polyrateÊä³öÎļþfu6ÖÐÏÔʾ·´Ó¦Îï1ºÍ·´Ó¦Îï2ÒÔ¼°²úÎï1¶¼¶ÁÈ¡ÕýÈ·£¬²úÎï2¶ÁȡʱȴÏÔʾÒÔÏÂÄÚÈÝ£¬ÇëÎÊÊÇʲôÒâ˼°¡£¿ÄǸöµØ·½×ö´íÁ˰¡£¿
************** Product 2 *************

      For IOP =  4:
      Species is a  2-atom polyatomic made up of atoms:  16 17
Electronic degeneracies and energies (a.u.) =   1    0.00000000
                                                 0    0.00000000
                                                 0    0.00000000

Anharmonicity for mode(i) is:
      For IOP = 4     NDIM =  6     IND = 46 47 48 49 50 51

New center of mass is at    1.665436E-01  -3.005976E-02   4.859163E-02
angstroms with respect to previous origin.
*** mxlneq ***
k =         3
eps =  1.00000E-14
at step k a gauss-jordan pivot value was .le. eps
  PROBLEM WITH MXLNEQ IN SUBROUTINE CENTER
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