From: Noel O'B. <bao...@gm...> - 2011-03-21 09:50:58
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Hi all, Following an email by John Simmie to CCL.net, I've added support to extract the "X matrix of Anharmonic Constants (cm-1)" from a FREQ=ANHARM job in Gaussian. I'm not quite sure what to call it, but for the moment it's "vibanharms". I think there are also anharmonic frequencies, so maybe it should instead be "vibanharmconsts". - Noel |