Dear Tian,
But I need the frequency values and the thermodynamic quantities G and H, although they are not displayed in the output.
They are irrelevant to the warning.
Without full output file, I cannot answer the actual reason.
By the way, using Shermo to calculate thermodynamic quantities based on Gaussian output file of "freq" task is more recommended, see http://www.shanxitv.org/soft/shermo
]]>But I need the frequency values and the thermodynamic quantities G and H, although they are not displayed in the output.
]]>I would like to perform a frequency calculation for a molecule that has already been optimized, using Gaussian.
The keywords I used are:
#p freq mpw1pw91/6-31g(d) scrf=(iefpcm, solvent=dichloromethane)
However, the calculation gives me this error.
What should I do?
Thank you in advance
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