rodft, frequency calculation


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Thank you for the responses.

The RODFT requires with "CGMIN" . But the frequency calculatios were not possible with this option. My attempts to perform frequency calculation by removing this keyword was also unsuccessful. The options I tried for getting frequencies were as follows. As I mentioned both of these options were unsuccessful.

Thank You.
Sujitha

OPTION 1

dft
 xc b3lyp
rodft
cgmin
mult 1
decomp
tolerances tight
grid xfine nodisk
end

task dft optimize
task dft freq numerical

OPTION 2


dft
 xc b3lyp
rodft
cgmin
mult 1
decomp
tolerances tight
grid xfine nodisk
end

task dft optimize

dft
nocgmin
end

task dft freq numerical