#146 Turbomole IR spectra

2.2
open
nobody
5
2012-10-23
2009-07-06
David Lonie
No

Attached are two files that contain vibrational data from turbomole. AFAIK:
Both are generated during the analysis
Either can be used to get the information
* The files are both separate from the "main" output tmol file (I'm assuming this, because reading fails when changing the extension to tmol)

Files can be found here:
http://drunks.servebeer.com/david/misc/control
http://drunks.servebeer.com/david/misc/aoforce.out

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