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-1 (i.e., the rigid limit) at 9 GHz converged very well when using a quite tractable basis set characterized by the parameters lemx = 40, lomx = 39, kmx = 16, mmx = 2, and ipnmx = 2. For the 9 GHz motional spectra a tractable basis set characterized by the parameters lemx = 14, lomx = 11, kmx = 8, mmx = 8, and ipnmx = 2 was found sufficient and was used for nearly all calculations. For the 250 GHz spectrum at 190 K a basis set characterized by the parameters lemx = 50, lomx = 41, kmx = 16, mmx = 16, and ipnmx = 2 was required
-
-1 (i.e., the rigid limit) at 9 GHz converged very well when using a quite tractable basis set characterized by the parameters lemx = 40, lomx = 39, kmx = 16, mmx = 2, and ipnmx = 2. For the 9 GHz motional spectra a tractable basis set characterized by the parameters lemx = 14, lomx = 11, kmx = 8, mmx = 8, and ipnmx = 2 was found sufficient and was used for nearly all calculations. For the 250 GHz spectrum at 190 K a basis set characterized by the parameters lemx = 50, lomx = 41, kmx = 16, mmx = 16, and ipnmx = 2 was required.
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