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Chemistry Forums for Students => Physical Chemistry Forum => Topic started by: quimorg on October 11, 2013, 02:03:45 PM

Title: Gaussian 03w stops working
Post by: quimorg 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???