Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 


MacMolPlt 7.4.4, frequencies' display

Alexey
alexfarlong56@gmail.com

There's some strange thing concerning MacMolPlt 7.4.4 that I misunderstand now.

I got the output file with calculation of hessian for some molecule (see the attachment). In this file I can see the following frequencies (in any usual text editor):
783.06
367.76
0.06
...
But when I open that file in MacMolPlt and go to "Subwindow" -> "Frequencies" menu, I got this:
-783.059998
367.760010
0.060000
...
Where the minus sign and all these decimals did MacMolPlt get from? There's no any other information blocks in output file - I've deleted them manually.

This message contains the 15 kb attachment
[ test_3.out ]

[ Previous ] [ Next ] [ Index ]           Mon Apr 8 '13 1:17am
[ Reply ] [ Edit ] [ Delete ]           This message read 819 times