Geometry optimization

How much output is generated during geometry optimization (and actually all other types of Gaussian calculations as well) depends on the beginning of the keyword line:

#P will provide somewhat more detailed output
# will provide normal output
#T will provide somewhat less output

Geometry optimization can be performed in three different types of coordinate systems. Please observe that the way, the geometry is defined in the input file, is actually separate from deciding, in which coordinate system the optimization will be performed: Read the rest of this entry »