I have found that jmol-6 was unable to read my outputs from the new G03 :-(
For mortal users as me, as we can not modify jmol but we can modify the output to be readable:
1) In order to get your structure displayed change to Gaussian 98 (or the version you used to run before and was successfully read by jmol) the string Gaussian 03 after the authors list.
2) To animated the frequencies you need:
a) delete the line just after Harmonic frequencies... and
b) delete the extra line starting with Depolar (U)... just after Depolar (P)
I strongly recommend to save a copy of your outpu before any change :-)
For programers: I think just little changes need to be done for jmol to display G03 outputs:
1) To display the structure:
After the long authors list an obvious change is to look for the string Gaussian 03
2) To animate Frequencies there are two things to be done:
a)It seems jmol looks for the string: Harmonic frequencies... and then counts three lines down to read them, now it should count four lines down.
b) It seems jmol reads the frequency and then counts 6 lines down to read the normal coordinates and produce the animation, now it should count 7 lines down.
I hope this info is help for both users and programers... Cheers Rodolfo
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Rodolfo G�mez-Balderas, PhD
Present Address: School of Chemistry University of Sydney Sydney, NSW 2006 Australia Phone: (+61-2) 9351 5361 FAX: (+61-2) 6351 3329 e-mail: [EMAIL PROTECTED]
Permanent Address: UNAM, Campus Cuautitl�n 1 Secci�n de Fisicoqu�mica Cuautitl�n Izcalli, 54740 Estado de M�xico, M�xico Tel: (+52-55) 5623 2014
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