Subject: IR-Spectrum with GAUSSIAN 94

From: Stefan Schulz <[email-masked]>
Date: Mon, 6 Oct 1997 20:15:10 +0200 (METDST)

Dear CCLers,

after a succesful compound optimization and frequency GAUSSIAN 94 job I 
get a bunch of regular output lines like this:

Harmonic frequencies (cm**-1), IR intensities (KM/Mole),
Raman scattering activities (A**4/AMU), Raman depolarization ratios,
reduced masses (AMU), force constants (mDyne/A) and normal coordinates:
                    1                      2                      3
                   A'                     A'                     A"
Frequencies --   274.3467               368.7678               446.3764
Red. masses --     6.6004                 1.1200                 1.1113
Frc consts  --     0.2927                 0.0897                 0.1305
IR Inten    --     0.2635               333.4733                 1.8949

My questions are:
 o What does the IR-intensity unit KM/Mole mean i.e. what does KM stand for?
 o By which formula are the IR-intensities actually calculated?

Any help will be appreciated :-)

Regards

Stefan Schulz

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