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The B̃2A1'−X̃2A2″ transition in CH3

The files here are from "Reanalysis of Rate Data for the Reaction CH3 + CH3 → C2H6 Using Revised Cross Sections and a Linearized Second-Order Master Equation", M. A. Blitz, N. J. B. Green, R. J. Shannon, M. J. Pilling, P. W. Seakins, C. M. Western, and S. H. Robertson, J. Phys. Chem. A, (2015), doi:10.1021/acs.jpca.5b01002.

CH3BX.pgo is the file used to produce the left side figure 1 of the paper, with some minor modifications. It is a relatively complicated example, containing multiple vibrational levels in both the B and X states, and has been produced, as discussed in the paper, by considering as much of the available literature as possible. Notes:
For completeness, the file(CH3simplevibBX.pgo) used to produce the vibrational background are also included. Given the approximate nature of the simulation, these are less likely to be of general use. An implementation restriction required the use of a linear point group rather than D3h. The .pgo file includes an example of a Table used with a Custom Transition Moment Function to remove selected transitions from the simulation. The observation file CH3simplevib.obs was used to determine some of the vibrational constants; to use this the table must be set inactive.