CCL: In gaussian, how to output second derivative (Hessian) matrix in cartesian coordinate?

["G. Vergoten" <Gerard.Vergoten~~univ-lille1.fr>]

 Hi
 Use the checkpoint file!You have first to transform the .chk file into a
 formatted file using the formchk command:
 formchk *.chk *.fchk where * is the name of your file
 Then, within Gaussian, there is a script called "demofc" that
 you can use to output the hessian in cartesian coordinates. Just create a
 small input file like the attached demofc.inp and execute:
 demofc <demofc.inp >hessian.out &

 I hope this help, let me know.
 Gerard

 

 At 08:27 PM 9/30/2005, you wrote:
> Dear CLLers,
>   
>  I want to output second derivative matrix(hessian matrix) of energy in
>  cartesian coordinate in gaussian03, how to do it?
>  I found at the end of freq job, g03 will output one matrix, but in
>  interan coordinate. But now I want that in a different coordinate.
>  Thank you for any suggestion in advance!
>
>  
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*.fchk
 Cartesian Force Constants
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