CCL:G: Gaussian TDDFT calculations Ir(ppy)3 an Iridium complex for OLEDs



 Sent to CCL by: "Enrico  D Ortenzio" [enrico.dortenzio[a]hotmail.it]
 Hello,
 i'm new in computational chemistry and i'm learning to use Gaussian03.
 For simplest calculations, i.e for smallest molecules, there is no problem...but
 when I try to do TDDFT calculations on bigger molecules such as poly(p-phenylene
 vinylene)or Iridium complexes such as Ir(ppy)3 i get the following error:
 severe error message #2070.
 Which are the best settings (for example the Keywords in input files or memory
 settings) to make calculations for TDDFT UV-Vis spectra of transition metals
 compounds or molecules such as Poly(p-phenylene vinylene), i.e. molecules used
 in optoelectronics, and biggest molecules (n atoms 10-60)????
 * i use Gaussian03 for job running, GaussView For Input data and ChemBio Office
 for Structures Designing
 Best Regards,
 Enrico D'Ortenzio
 enrico.dortenzio a hotmail.it
 Via S.Stefano n66, Oricola (AQ), Italy
 p.s. sorry for bad english!