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Re^4: How to check atom sp-character from output file

Luca Maidich
luca.maidich@gmail.com


Dear Leira,
indeed if you look for "MOLECULAR ORBITAL" string using the singular you end up where you say, but if you look for "MOLECULAR ORBITALS" string (plural) you arrive in the section I was telling you about. Please find attached in zip format input/output file proving this.

Kind Regards
Luca

This message contains the 158 kb attachment
[ Example_1.zip ] Example input and output files.


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