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Calculated Spectrum from CI calculation

Mike
rose@chemistry.ucsc.edu

We are trying to calculate the UV/Vis spectrum of a high-spin (S=1; or mult=3) transition metal complex.  If I understand correctly, we cannot use TDDFT or TDHF methods.  We've achieved a CITYP=ALDET calculation (ROHF, mult=3), but cannot display the spectrum in Chemcraft.  Does CI calculation predict necessary data (transition dipole, oscillator strength, etc.)?

[The input file is attached]

thanks in advance for any help.

This message contains the 3575 kb attachment
[ input_3 ] ROHF CI Input

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