Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com
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Dear colleagues,
thank you for your replies. I'll try to use the latest versions of the above mentioned programs.
To Sobereva, I wrote "*.molden file cannot be properly recognized by Multiwfn" in the sense that the Multiwfn program opens such a file, but some type of analysis I performed yielded zero values. Alternatively, the Gaussian *.wfn file was treated properly (as it was in the manual).
Thank you again.
Dear Sobereva.
As it was stated in the manual "the .wfn file generated by ORCA are usually non-standard and cannot be properly recognized by Multiwfn. Therefore, using .molden file as input file of Multiwfn instead is highly recommended, see below", however, the *.molden file cannot be properly recognized by Multiwfn. Upon analyzing, it yields no information from this file. Alternatively, using Gaussian-made *.wfn, Multiwfn gives proper analysis.
So, could you resolve the problem with Orca-made *.wfn?
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