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Re^4: How to check atom sp-character from output file
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.
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[ Example_1.zip ] Example input and output files.
Sun May 26 '13 10:45am
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