linear response TDDFT calculations

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9:04:34 PM PDT - Sun, Jun 28th 2015

You have two errors. You need to specify "* library 6-31G*" instead of "library 6-31G*" and you need to choose a single spin state in the tddft block. Put in "notriplet" if you want the singlet and "nosinglet" if you want the triplet.

I modified the code as per your suggestions but its still displaying the same error.

START water
TITLE "tddft test"
GEOMETRY

O  0.00000000 0.00000000  0.12982363

H  0.75933475 0.00000000 -0.46621158

H -0.75933475 0.00000000 -0.46621158

END

BASIS

* library 6-31G*

END

DFT

XC B3LYP

END

TDDFT

cis

NROOTS 20

civecs

nosinglet

grad

 root 1

end

END
TASK tddft optimize
TASK TDDFT ENERGY

Output error is
tddft_input: filename not found; default name will be used

------------------------------------------------------------------------

tddft_input: unknown directive        0

------------------------------------------------------------------------

There is an error in the input file

------------------------------------------------------------------------