To view frequencies in gaussview3: Difference between revisions
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A useful trick Abel just discovered about gaussian 09. | |||
It is impossible for gaussview3 to read the frequencies of a gaussian09 output file. | |||
But if you look at the part where gaussian writes the frequency values, there is this line | But if you look at the part where gaussian writes the frequency values, there is this line | ||
Atom AN X Y Z X Y Z X Y Z | Atom AN X Y Z X Y Z X Y Z | ||
In gaussian 03, there was only one blank character between "Atom" and "AN". | In gaussian 03, there was only one blank character between "Atom" and "AN". | ||
Gaussian 09 writes 2! So if you just delete one blank character between these two "words", gauss view3 will be able to read the frequencies! | Gaussian 09 writes 2! So if you just delete one blank character between these two "words", gauss view3 will be able to read the frequencies! | ||
Revision as of 16:21, 4 February 2010
go back to Main Page, Computational Resources, GAUSSIAN, G09
A useful trick Abel just discovered about gaussian 09.
It is impossible for gaussview3 to read the frequencies of a gaussian09 output file. But if you look at the part where gaussian writes the frequency values, there is this line
Atom AN X Y Z X Y Z X Y Z
In gaussian 03, there was only one blank character between "Atom" and "AN". Gaussian 09 writes 2! So if you just delete one blank character between these two "words", gauss view3 will be able to read the frequencies!