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[交流] 【求助】polyrate做动力学问题

再用polyrate做反应：R1+R2------P1+P2动力学常数时poly.fu6最后出现如下结果
******************** Product 2 ***********************

   For IOP =  4:
   Species is a  2-atom polyatomic made up of atoms:  15 19
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 = 43 44 45 55 56 57

New center of mass is at 1.626149E-01  -2.294554E-03 8.751103E-03
angstroms with respect to previous origin.
*** mxlneq ***
k =       3
at step k a gauss-jordan pivot value was zero
各位大侠有谁知道这是怎么了啊？？？