G09 Keyword: Semi-Empirical

 

RM1 may be used in Gaussian 09

 

RM1 parameters can be specified in Gaussian 09 in two different formats: Gaussian and MOPAC, via the Input and MOPACExternal options (respectively).

This is fully described in: http://www.gaussian.com/g_tech/g_ur/k_semiempirical.htm

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Files for running RM1 in Gaussian in both formats can be downloaded from CompChem.net at:

RM1-Gaussian_Format and RM1-MOPAC_Format

Passwords are required for the .rar compressed files.

Please, send the names of the files by e-mail to Mahmoud A. A. Ibrahim to get the password for free, by simply clicking on the following link:

m.ibrahim(at)compchem.net.

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