linear response TDDFT calculations


Click here for full thread
Gets Around
I am not sure why it is failing. This job completes without errors for me:

START water
TITLE "tddft test"
print low

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


log is here: http://pastebin.com/3R5dy02y