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III.G.7. (XIII.B.3.) (XIII.D.5.)

Compare vibrational frequencies for two calculations for C3H3N+ (acrylonitrile cation)

A = HF/6-31G*

B = MP2/6-31G*

scale factors=0.8985, 0.943

ADODB.Connection error '800a0e78'

Operation is not allowed when the object is closed.

/comp2vib3.asp, line 175