March 28, 2024, 08:13:29 PM
Forum Rules: Read This Before Posting


Topic: Gaussian 03w stops working  (Read 1743 times)

0 Members and 1 Guest are viewing this topic.

Offline quimorg

  • New Member
  • **
  • Posts: 7
  • Mole Snacks: +0/-0
Gaussian 03w stops working
« on: October 11, 2013, 02:03:45 PM »
this is what I get (a problem caused the program to stop working correctly, windows will close the program and notify you if a solution is available)

It might be a computer program, but I don't know, this is what im trying to do, I'm doing a copper complex having 2 sulfurs bonded to it (thiocarbamate) but every time I try to run the calculate, it stops, ( I have tried optimization, energy as the job type) in the method i use the ground state, HF or DFT, default spin. the  basis is set to LanL2DZ (# hf/Lanl2DZ geom=connectivity.)

also  # b3lyp/Lanl2DZ geom=connectivity.

any help???

Sponsored Links